data_Remediated_restraints_file_for_PDB_entry_1gw3 # This BMRB archive file contains, for PDB entry 1gw3: # # - 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, minor 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 as part of the wwPDB 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. ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID rr_1gw3 _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1gw3' _Entry.Version_type original _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Contains the remediated restraint lists and coordinates for PDB entry 1gw3' _Entry.PDB_coordinate_file_version 3.20 loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1gw3 'Master copy' rr_1gw3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1gw3 _Assembly.ID 1 _Assembly.Name 1gw3 _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 5143.7612 loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'APOA I' 1 $APOA_I A . no . . . . . . rr_1gw3 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_APOA_I _Entity.Sf_category entity _Entity.Sf_framecode APOA_I _Entity.Entry_ID rr_1gw3 _Entity.ID 1 _Entity.Name APOA_I _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ; SPLGEEMRDRARAHVDALRT HLAPYSDELRQRLAARLEAL KENGGA ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Number_of_monomers 46 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 5143.7612 loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . rr_1gw3 1 2 . PRO . rr_1gw3 1 3 . LEU . rr_1gw3 1 4 . GLY . rr_1gw3 1 5 . GLU . rr_1gw3 1 6 . GLU . rr_1gw3 1 7 . MET . rr_1gw3 1 8 . ARG . rr_1gw3 1 9 . ASP . rr_1gw3 1 10 . ARG . rr_1gw3 1 11 . ALA . rr_1gw3 1 12 . ARG . rr_1gw3 1 13 . ALA . rr_1gw3 1 14 . HIS . rr_1gw3 1 15 . VAL . rr_1gw3 1 16 . ASP . rr_1gw3 1 17 . ALA . rr_1gw3 1 18 . LEU . rr_1gw3 1 19 . ARG . rr_1gw3 1 20 . THR . rr_1gw3 1 21 . HIS . rr_1gw3 1 22 . LEU . rr_1gw3 1 23 . ALA . rr_1gw3 1 24 . PRO . rr_1gw3 1 25 . TYR . rr_1gw3 1 26 . SER . rr_1gw3 1 27 . ASP . rr_1gw3 1 28 . GLU . rr_1gw3 1 29 . LEU . rr_1gw3 1 30 . ARG . rr_1gw3 1 31 . GLN . rr_1gw3 1 32 . ARG . rr_1gw3 1 33 . LEU . rr_1gw3 1 34 . ALA . rr_1gw3 1 35 . ALA . rr_1gw3 1 36 . ARG . rr_1gw3 1 37 . LEU . rr_1gw3 1 38 . GLU . rr_1gw3 1 39 . ALA . rr_1gw3 1 40 . LEU . rr_1gw3 1 41 . LYS . rr_1gw3 1 42 . GLU . rr_1gw3 1 43 . ASN . rr_1gw3 1 44 . GLY . rr_1gw3 1 45 . GLY . rr_1gw3 1 46 . ALA . rr_1gw3 1 stop_ loop_ _Entity_poly_seq.Hetero _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 . SER 1 1 rr_1gw3 1 . PRO 2 2 rr_1gw3 1 . LEU 3 3 rr_1gw3 1 . GLY 4 4 rr_1gw3 1 . GLU 5 5 rr_1gw3 1 . GLU 6 6 rr_1gw3 1 . MET 7 7 rr_1gw3 1 . ARG 8 8 rr_1gw3 1 . ASP 9 9 rr_1gw3 1 . ARG 10 10 rr_1gw3 1 . ALA 11 11 rr_1gw3 1 . ARG 12 12 rr_1gw3 1 . ALA 13 13 rr_1gw3 1 . HIS 14 14 rr_1gw3 1 . VAL 15 15 rr_1gw3 1 . ASP 16 16 rr_1gw3 1 . ALA 17 17 rr_1gw3 1 . LEU 18 18 rr_1gw3 1 . ARG 19 19 rr_1gw3 1 . THR 20 20 rr_1gw3 1 . HIS 21 21 rr_1gw3 1 . LEU 22 22 rr_1gw3 1 . ALA 23 23 rr_1gw3 1 . PRO 24 24 rr_1gw3 1 . TYR 25 25 rr_1gw3 1 . SER 26 26 rr_1gw3 1 . ASP 27 27 rr_1gw3 1 . GLU 28 28 rr_1gw3 1 . LEU 29 29 rr_1gw3 1 . ARG 30 30 rr_1gw3 1 . GLN 31 31 rr_1gw3 1 . ARG 32 32 rr_1gw3 1 . LEU 33 33 rr_1gw3 1 . ALA 34 34 rr_1gw3 1 . ALA 35 35 rr_1gw3 1 . ARG 36 36 rr_1gw3 1 . LEU 37 37 rr_1gw3 1 . GLU 38 38 rr_1gw3 1 . ALA 39 39 rr_1gw3 1 . LEU 40 40 rr_1gw3 1 . LYS 41 41 rr_1gw3 1 . GLU 42 42 rr_1gw3 1 . ASN 43 43 rr_1gw3 1 . GLY 44 44 rr_1gw3 1 . GLY 45 45 rr_1gw3 1 . ALA 46 46 rr_1gw3 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID rr_1gw3 _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 1 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID rr_1gw3 _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . rr_1gw3 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . rr_1gw3 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_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.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _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.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 SER C C 28.483 -5.090 -6.401 . . . 1.0 . . . . . . . . . . . . A . 1 SER C . . . . . . . . . rr_1gw3 1 . 1 . 2 . 1 1 1 SER CA C 29.505 -5.508 -7.432 . . . 1.0 . . . . . . . . . . . . A . 1 SER CA . . . . . . . . . rr_1gw3 1 . 1 . 3 . 1 1 1 SER CB C 29.820 -4.357 -8.420 . . . 1.0 . . . . . . . . . . . . A . 1 SER CB . . . . . . . . . rr_1gw3 1 . 1 . 4 . 1 1 1 SER H1 H 28.044 -6.686 -8.252 . . . 1.0 . . . . . . . . . . . . A . 1 SER H1 . . . . . . . . . rr_1gw3 1 . 1 . 5 . 1 1 1 SER H2 H 29.507 -6.725 -9.079 . . . 1.0 . . . . . . . . . . . . A . 1 SER H2 . . . . . . . . . rr_1gw3 1 . 1 . 6 . 1 1 1 SER H3 H 29.345 -7.542 -7.618 . . . 1.0 . . . . . . . . . . . . A . 1 SER H3 . . . . . . . . . rr_1gw3 1 . 1 . 7 . 1 1 1 SER HA H 30.431 -5.759 -6.882 . . . 1.0 . . . . . . . . . . . . A . 1 SER HA . . . . . . . . . rr_1gw3 1 . 1 . 8 . 1 1 1 SER HB2 H 29.680 -3.382 -7.914 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB2 . . . . . . . . . rr_1gw3 1 . 1 . 9 . 1 1 1 SER HB3 H 30.885 -4.371 -8.723 . . . 1.0 . . . . . . . . . . . . A . 1 SER HB3 . . . . . . . . . rr_1gw3 1 . 1 . 10 . 1 1 1 SER HG H 29.012 -3.503 -9.974 . . . 1.0 . . . . . . . . . . . . A . 1 SER HG . . . . . . . . . rr_1gw3 1 . 1 . 11 . 1 1 1 SER N N 29.068 -6.703 -8.148 . . . 1.0 . . . . . . . . . . . . A . 1 SER N . . . . . . . . . rr_1gw3 1 . 1 . 12 . 1 1 1 SER O O 27.655 -4.203 -6.624 . . . 1.0 . . . . . . . . . . . . A . 1 SER O . . . . . . . . . rr_1gw3 1 . 1 . 13 . 1 1 1 SER OG O 28.991 -4.383 -9.587 . . . 1.0 . . . . . . . . . . . . A . 1 SER OG . . . . . . . . . rr_1gw3 1 . 1 . 14 . 1 1 2 PRO C C 27.378 -4.088 -3.659 . . . 1.0 . . . . . . . . . . . . A . 2 PRO C . . . . . . . . . rr_1gw3 1 . 1 . 15 . 1 1 2 PRO CA C 27.584 -5.531 -4.064 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CA . . . . . . . . . rr_1gw3 1 . 1 . 16 . 1 1 2 PRO CB C 28.215 -6.272 -2.892 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CB . . . . . . . . . rr_1gw3 1 . 1 . 17 . 1 1 2 PRO CD C 29.484 -6.801 -4.873 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CD . . . . . . . . . rr_1gw3 1 . 1 . 18 . 1 1 2 PRO CG C 28.890 -7.449 -3.616 . . . 1.0 . . . . . . . . . . . . A . 2 PRO CG . . . . . . . . . rr_1gw3 1 . 1 . 19 . 1 1 2 PRO HA H 26.609 -5.938 -4.301 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HA . . . . . . . . . rr_1gw3 1 . 1 . 20 . 1 1 2 PRO HB2 H 29.003 -5.640 -2.444 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB2 . . . . . . . . . rr_1gw3 1 . 1 . 21 . 1 1 2 PRO HB3 H 27.423 -6.656 -2.236 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HB3 . . . . . . . . . rr_1gw3 1 . 1 . 22 . 1 1 2 PRO HD2 H 30.449 -6.336 -4.619 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD2 . . . . . . . . . rr_1gw3 1 . 1 . 23 . 1 1 2 PRO HD3 H 29.549 -7.547 -5.683 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HD3 . . . . . . . . . rr_1gw3 1 . 1 . 24 . 1 1 2 PRO HG2 H 29.816 -7.802 -3.136 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG2 . . . . . . . . . rr_1gw3 1 . 1 . 25 . 1 1 2 PRO HG3 H 28.100 -8.180 -3.825 . . . 1.0 . . . . . . . . . . . . A . 2 PRO HG3 . . . . . . . . . rr_1gw3 1 . 1 . 26 . 1 1 2 PRO N N 28.522 -5.737 -5.251 . . . 1.0 . . . . . . . . . . . . A . 2 PRO N . . . . . . . . . rr_1gw3 1 . 1 . 27 . 1 1 2 PRO O O 28.099 -3.182 -4.092 . . . 1.0 . . . . . . . . . . . . A . 2 PRO O . . . . . . . . . rr_1gw3 1 . 1 . 28 . 1 1 3 LEU C C 26.311 -2.418 -0.853 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . rr_1gw3 1 . 1 . 29 . 1 1 3 LEU CA C 26.071 -2.512 -2.341 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . rr_1gw3 1 . 1 . 30 . 1 1 3 LEU CB C 24.607 -2.120 -2.695 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . rr_1gw3 1 . 1 . 31 . 1 1 3 LEU CD1 C 22.953 -1.194 -4.371 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . rr_1gw3 1 . 1 . 32 . 1 1 3 LEU CD2 C 25.343 -1.502 -5.085 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . rr_1gw3 1 . 1 . 33 . 1 1 3 LEU CG C 24.213 -2.052 -4.196 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . rr_1gw3 1 . 1 . 34 . 1 1 3 LEU H H 25.767 -4.674 -2.599 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . rr_1gw3 1 . 1 . 35 . 1 1 3 LEU HA H 26.770 -1.799 -2.814 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . rr_1gw3 1 . 1 . 36 . 1 1 3 LEU HB2 H 23.923 -2.829 -2.187 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . rr_1gw3 1 . 1 . 37 . 1 1 3 LEU HB3 H 24.382 -1.138 -2.233 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . rr_1gw3 1 . 1 . 38 . 1 1 3 LEU HD11 H 22.103 -1.585 -3.780 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . rr_1gw3 1 . 1 . 39 . 1 1 3 LEU HD12 H 23.112 -0.144 -4.059 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . rr_1gw3 1 . 1 . 40 . 1 1 3 LEU HD13 H 22.618 -1.172 -5.426 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . rr_1gw3 1 . 1 . 41 . 1 1 3 LEU HD21 H 25.687 -0.505 -4.753 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . rr_1gw3 1 . 1 . 42 . 1 1 3 LEU HD22 H 26.221 -2.174 -5.075 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . rr_1gw3 1 . 1 . 43 . 1 1 3 LEU HD23 H 25.033 -1.418 -6.141 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . rr_1gw3 1 . 1 . 44 . 1 1 3 LEU HG H 23.974 -3.081 -4.538 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . rr_1gw3 1 . 1 . 45 . 1 1 3 LEU N N 26.373 -3.852 -2.837 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . rr_1gw3 1 . 1 . 46 . 1 1 3 LEU O O 26.860 -3.330 -0.223 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . rr_1gw3 1 . 1 . 47 . 1 1 4 GLY C C 24.666 -0.591 1.716 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1gw3 1 . 1 . 48 . 1 1 4 GLY CA C 25.972 -1.131 1.184 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1gw3 1 . 1 . 49 . 1 1 4 GLY H H 25.603 -0.532 -0.902 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1gw3 1 . 1 . 50 . 1 1 4 GLY HA2 H 26.193 -2.096 1.676 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1gw3 1 . 1 . 51 . 1 1 4 GLY HA3 H 26.789 -0.437 1.455 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1gw3 1 . 1 . 52 . 1 1 4 GLY N N 25.916 -1.304 -0.264 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1gw3 1 . 1 . 53 . 1 1 4 GLY O O 23.820 -1.327 2.236 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1gw3 1 . 1 . 54 . 1 1 5 GLU C C 23.331 2.861 1.869 . . . 1.0 . . . . . . . . . . . . A . 5 GLU C . . . . . . . . . rr_1gw3 1 . 1 . 55 . 1 1 5 GLU CA C 23.314 1.379 2.169 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CA . . . . . . . . . rr_1gw3 1 . 1 . 56 . 1 1 5 GLU CB C 23.284 1.111 3.700 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CB . . . . . . . . . rr_1gw3 1 . 1 . 57 . 1 1 5 GLU CD C 25.166 0.930 5.569 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CD . . . . . . . . . rr_1gw3 1 . 1 . 58 . 1 1 5 GLU CG C 24.382 1.795 4.580 . . . 1.0 . . . . . . . . . . . . A . 5 GLU CG . . . . . . . . . rr_1gw3 1 . 1 . 59 . 1 1 5 GLU H H 25.226 1.236 1.079 . . . 1.0 . . . . . . . . . . . . A . 5 GLU H . . . . . . . . . rr_1gw3 1 . 1 . 60 . 1 1 5 GLU HA H 22.407 0.954 1.701 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HA . . . . . . . . . rr_1gw3 1 . 1 . 61 . 1 1 5 GLU HB2 H 22.289 1.405 4.093 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB2 . . . . . . . . . rr_1gw3 1 . 1 . 62 . 1 1 5 GLU HB3 H 23.322 0.014 3.868 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HB3 . . . . . . . . . rr_1gw3 1 . 1 . 63 . 1 1 5 GLU HG2 H 25.126 2.290 3.929 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG2 . . . . . . . . . rr_1gw3 1 . 1 . 64 . 1 1 5 GLU HG3 H 23.939 2.625 5.164 . . . 1.0 . . . . . . . . . . . . A . 5 GLU HG3 . . . . . . . . . rr_1gw3 1 . 1 . 65 . 1 1 5 GLU N N 24.486 0.713 1.608 . . . 1.0 . . . . . . . . . . . . A . 5 GLU N . . . . . . . . . rr_1gw3 1 . 1 . 66 . 1 1 5 GLU O O 23.509 3.708 2.752 . . . 1.0 . . . . . . . . . . . . A . 5 GLU O . . . . . . . . . rr_1gw3 1 . 1 . 67 . 1 1 5 GLU OE1 O 24.729 -0.115 6.032 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE1 . . . . . . . . . rr_1gw3 1 . 1 . 68 . 1 1 5 GLU OE2 O 26.393 1.431 5.883 . . . 1.0 . . . . . . . . . . . . A . 5 GLU OE2 . . . . . . . . . rr_1gw3 1 . 1 . 69 . 1 1 6 GLU C C 22.227 4.729 -1.086 . . . 1.0 . . . . . . . . . . . . A . 6 GLU C . . . . . . . . . rr_1gw3 1 . 1 . 70 . 1 1 6 GLU CA C 23.027 4.596 0.189 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CA . . . . . . . . . rr_1gw3 1 . 1 . 71 . 1 1 6 GLU CB C 24.468 5.149 0.010 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CB . . . . . . . . . rr_1gw3 1 . 1 . 72 . 1 1 6 GLU CD C 26.122 6.567 -1.513 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CD . . . . . . . . . rr_1gw3 1 . 1 . 73 . 1 1 6 GLU CG C 24.688 6.235 -1.094 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CG . . . . . . . . . rr_1gw3 1 . 1 . 74 . 1 1 6 GLU H H 22.950 2.412 -0.059 . . . 1.0 . . . . . . . . . . . . A . 6 GLU H . . . . . . . . . rr_1gw3 1 . 1 . 75 . 1 1 6 GLU HA H 22.501 5.168 0.976 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HA . . . . . . . . . rr_1gw3 1 . 1 . 76 . 1 1 6 GLU HB2 H 24.818 5.549 0.982 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB2 . . . . . . . . . rr_1gw3 1 . 1 . 77 . 1 1 6 GLU HB3 H 25.151 4.301 -0.194 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB3 . . . . . . . . . rr_1gw3 1 . 1 . 78 . 1 1 6 GLU HG2 H 24.147 5.944 -2.015 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG2 . . . . . . . . . rr_1gw3 1 . 1 . 79 . 1 1 6 GLU HG3 H 24.215 7.188 -0.791 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG3 . . . . . . . . . rr_1gw3 1 . 1 . 80 . 1 1 6 GLU N N 23.112 3.201 0.612 . . . 1.0 . . . . . . . . . . . . A . 6 GLU N . . . . . . . . . rr_1gw3 1 . 1 . 81 . 1 1 6 GLU O O 21.417 5.649 -1.253 . . . 1.0 . . . . . . . . . . . . A . 6 GLU O . . . . . . . . . rr_1gw3 1 . 1 . 82 . 1 1 6 GLU OE1 O 26.848 7.313 -0.869 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE1 . . . . . . . . . rr_1gw3 1 . 1 . 83 . 1 1 6 GLU OE2 O 26.512 5.955 -2.666 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE2 . . . . . . . . . rr_1gw3 1 . 1 . 84 . 1 1 7 MET C C 20.209 3.360 -2.867 . . . 1.0 . . . . . . . . . . . . A . 7 MET C . . . . . . . . . rr_1gw3 1 . 1 . 85 . 1 1 7 MET CA C 21.631 3.728 -3.220 . . . 1.0 . . . . . . . . . . . . A . 7 MET CA . . . . . . . . . rr_1gw3 1 . 1 . 86 . 1 1 7 MET CB C 22.244 2.692 -4.203 . . . 1.0 . . . . . . . . . . . . A . 7 MET CB . . . . . . . . . rr_1gw3 1 . 1 . 87 . 1 1 7 MET CE C 20.711 0.350 -6.842 . . . 1.0 . . . . . . . . . . . . A . 7 MET CE . . . . . . . . . rr_1gw3 1 . 1 . 88 . 1 1 7 MET CG C 21.587 2.612 -5.598 . . . 1.0 . . . . . . . . . . . . A . 7 MET CG . . . . . . . . . rr_1gw3 1 . 1 . 89 . 1 1 7 MET H H 23.240 3.153 -1.827 . . . 1.0 . . . . . . . . . . . . A . 7 MET H . . . . . . . . . rr_1gw3 1 . 1 . 90 . 1 1 7 MET HA H 21.599 4.720 -3.708 . . . 1.0 . . . . . . . . . . . . A . 7 MET HA . . . . . . . . . rr_1gw3 1 . 1 . 91 . 1 1 7 MET HB2 H 23.318 2.916 -4.350 . . . 1.0 . . . . . . . . . . . . A . 7 MET HB2 . . . . . . . . . rr_1gw3 1 . 1 . 92 . 1 1 7 MET HB3 H 22.226 1.682 -3.744 . . . 1.0 . . . . . . . . . . . . A . 7 MET HB3 . . . . . . . . . rr_1gw3 1 . 1 . 93 . 1 1 7 MET HE1 H 21.763 0.539 -7.119 . . . 1.0 . . . . . . . . . . . . A . 7 MET HE1 . . . . . . . . . rr_1gw3 1 . 1 . 94 . 1 1 7 MET HE2 H 20.622 -0.699 -6.509 . . . 1.0 . . . . . . . . . . . . A . 7 MET HE2 . . . . . . . . . rr_1gw3 1 . 1 . 95 . 1 1 7 MET HE3 H 20.088 0.482 -7.746 . . . 1.0 . . . . . . . . . . . . A . 7 MET HE3 . . . . . . . . . rr_1gw3 1 . 1 . 96 . 1 1 7 MET HG2 H 21.239 3.615 -5.912 . . . 1.0 . . . . . . . . . . . . A . 7 MET HG2 . . . . . . . . . rr_1gw3 1 . 1 . 97 . 1 1 7 MET HG3 H 22.304 2.270 -6.367 . . . 1.0 . . . . . . . . . . . . A . 7 MET HG3 . . . . . . . . . rr_1gw3 1 . 1 . 98 . 1 1 7 MET N N 22.457 3.825 -2.020 . . . 1.0 . . . . . . . . . . . . A . 7 MET N . . . . . . . . . rr_1gw3 1 . 1 . 99 . 1 1 7 MET O O 19.240 3.850 -3.459 . . . 1.0 . . . . . . . . . . . . A . 7 MET O . . . . . . . . . rr_1gw3 1 . 1 . 100 . 1 1 7 MET SD S 20.186 1.483 -5.549 . . . 1.0 . . . . . . . . . . . . A . 7 MET SD . . . . . . . . . rr_1gw3 1 . 1 . 101 . 1 1 8 ARG C C 18.185 2.418 -0.298 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . rr_1gw3 1 . 1 . 102 . 1 1 8 ARG CA C 18.765 1.872 -1.583 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . rr_1gw3 1 . 1 . 103 . 1 1 8 ARG CB C 18.931 0.326 -1.507 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . rr_1gw3 1 . 1 . 104 . 1 1 8 ARG CD C 16.810 -0.854 -2.341 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . rr_1gw3 1 . 1 . 105 . 1 1 8 ARG CG C 18.255 -0.455 -2.665 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . rr_1gw3 1 . 1 . 106 . 1 1 8 ARG CZ C 15.641 -2.347 -3.971 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . rr_1gw3 1 . 1 . 107 . 1 1 8 ARG H H 20.938 2.148 -1.432 . . . 1.0 . . . . . . . . . . . . A . 8 ARG H . . . . . . . . . rr_1gw3 1 . 1 . 108 . 1 1 8 ARG HA H 18.066 2.133 -2.399 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HA . . . . . . . . . rr_1gw3 1 . 1 . 109 . 1 1 8 ARG HB2 H 20.011 0.076 -1.466 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB2 . . . . . . . . . rr_1gw3 1 . 1 . 110 . 1 1 8 ARG HB3 H 18.520 -0.050 -0.549 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HB3 . . . . . . . . . rr_1gw3 1 . 1 . 111 . 1 1 8 ARG HD2 H 16.793 -1.737 -1.670 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD2 . . . . . . . . . rr_1gw3 1 . 1 . 112 . 1 1 8 ARG HD3 H 16.294 -0.031 -1.805 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HD3 . . . . . . . . . rr_1gw3 1 . 1 . 113 . 1 1 8 ARG HE H 15.979 -0.381 -4.278 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HE . . . . . . . . . rr_1gw3 1 . 1 . 114 . 1 1 8 ARG HG2 H 18.271 0.150 -3.594 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG2 . . . . . . . . . rr_1gw3 1 . 1 . 115 . 1 1 8 ARG HG3 H 18.824 -1.375 -2.910 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HG3 . . . . . . . . . rr_1gw3 1 . 1 . 116 . 1 1 8 ARG HH11 H 16.210 -3.262 -2.355 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH11 . . . . . . . . . rr_1gw3 1 . 1 . 117 . 1 1 8 ARG HH12 H 15.336 -4.276 -3.626 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH12 . . . . . . . . . rr_1gw3 1 . 1 . 118 . 1 1 8 ARG HH21 H 15.033 -1.539 -5.601 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH21 . . . . . . . . . rr_1gw3 1 . 1 . 119 . 1 1 8 ARG HH22 H 14.693 -3.345 -5.392 . . . 1.0 . . . . . . . . . . . . A . 8 ARG HH22 . . . . . . . . . rr_1gw3 1 . 1 . 120 . 1 1 8 ARG N N 20.062 2.461 -1.912 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . rr_1gw3 1 . 1 . 121 . 1 1 8 ARG NE N 16.111 -1.159 -3.615 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . rr_1gw3 1 . 1 . 122 . 1 1 8 ARG NH1 N 15.735 -3.421 -3.244 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . rr_1gw3 1 . 1 . 123 . 1 1 8 ARG NH2 N 15.055 -2.436 -5.112 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . rr_1gw3 1 . 1 . 124 . 1 1 8 ARG O O 17.008 2.170 0.019 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . rr_1gw3 1 . 1 . 125 . 1 1 9 ASP C C 17.493 4.800 1.508 . . . 1.0 . . . . . . . . . . . . A . 9 ASP C . . . . . . . . . rr_1gw3 1 . 1 . 126 . 1 1 9 ASP CA C 18.505 3.703 1.746 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CA . . . . . . . . . rr_1gw3 1 . 1 . 127 . 1 1 9 ASP CB C 19.705 4.204 2.592 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CB . . . . . . . . . rr_1gw3 1 . 1 . 128 . 1 1 9 ASP CG C 19.370 4.874 3.932 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CG . . . . . . . . . rr_1gw3 1 . 1 . 129 . 1 1 9 ASP H H 19.971 3.214 0.178 . . . 1.0 . . . . . . . . . . . . A . 9 ASP H . . . . . . . . . rr_1gw3 1 . 1 . 130 . 1 1 9 ASP HA H 17.973 2.894 2.280 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HA . . . . . . . . . rr_1gw3 1 . 1 . 131 . 1 1 9 ASP HB2 H 20.380 3.351 2.810 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB2 . . . . . . . . . rr_1gw3 1 . 1 . 132 . 1 1 9 ASP HB3 H 20.329 4.910 2.016 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB3 . . . . . . . . . rr_1gw3 1 . 1 . 133 . 1 1 9 ASP N N 18.973 3.129 0.485 . . . 1.0 . . . . . . . . . . . . A . 9 ASP N . . . . . . . . . rr_1gw3 1 . 1 . 134 . 1 1 9 ASP O O 16.638 5.088 2.357 . . . 1.0 . . . . . . . . . . . . A . 9 ASP O . . . . . . . . . rr_1gw3 1 . 1 . 135 . 1 1 9 ASP OD1 O 19.279 3.981 4.963 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD1 . . . . . . . . . rr_1gw3 1 . 1 . 136 . 1 1 9 ASP OD2 O 19.224 6.081 4.055 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD2 . . . . . . . . . rr_1gw3 1 . 1 . 137 . 1 1 10 ARG C C 15.212 5.792 -0.121 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . rr_1gw3 1 . 1 . 138 . 1 1 10 ARG CA C 16.580 6.430 -0.047 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . rr_1gw3 1 . 1 . 139 . 1 1 10 ARG CB C 16.998 7.039 -1.414 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . rr_1gw3 1 . 1 . 140 . 1 1 10 ARG CD C 18.061 9.205 -2.290 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . rr_1gw3 1 . 1 . 141 . 1 1 10 ARG CG C 18.217 7.997 -1.357 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . rr_1gw3 1 . 1 . 142 . 1 1 10 ARG CZ C 18.778 9.537 -4.662 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . rr_1gw3 1 . 1 . 143 . 1 1 10 ARG H H 18.440 5.257 -0.210 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . rr_1gw3 1 . 1 . 144 . 1 1 10 ARG HA H 16.536 7.228 0.717 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . rr_1gw3 1 . 1 . 145 . 1 1 10 ARG HB2 H 17.230 6.226 -2.130 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . rr_1gw3 1 . 1 . 146 . 1 1 10 ARG HB3 H 16.130 7.565 -1.863 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . rr_1gw3 1 . 1 . 147 . 1 1 10 ARG HD2 H 17.036 9.622 -2.214 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . rr_1gw3 1 . 1 . 148 . 1 1 10 ARG HD3 H 18.761 10.013 -1.995 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . rr_1gw3 1 . 1 . 149 . 1 1 10 ARG HE H 18.177 7.768 -3.899 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . rr_1gw3 1 . 1 . 150 . 1 1 10 ARG HG2 H 18.375 8.352 -0.318 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . rr_1gw3 1 . 1 . 151 . 1 1 10 ARG HG3 H 19.152 7.467 -1.628 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . rr_1gw3 1 . 1 . 152 . 1 1 10 ARG HH11 H 18.847 11.161 -3.599 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . rr_1gw3 1 . 1 . 153 . 1 1 10 ARG HH12 H 19.359 11.297 -5.367 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . rr_1gw3 1 . 1 . 154 . 1 1 10 ARG HH21 H 18.750 7.991 -5.798 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . rr_1gw3 1 . 1 . 155 . 1 1 10 ARG HH22 H 19.310 9.577 -6.567 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . rr_1gw3 1 . 1 . 156 . 1 1 10 ARG N N 17.587 5.456 0.366 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . rr_1gw3 1 . 1 . 157 . 1 1 10 ARG NE N 18.339 8.762 -3.679 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . rr_1gw3 1 . 1 . 158 . 1 1 10 ARG NH1 N 19.024 10.808 -4.540 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . rr_1gw3 1 . 1 . 159 . 1 1 10 ARG NH2 N 18.972 8.988 -5.809 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . rr_1gw3 1 . 1 . 160 . 1 1 10 ARG O O 14.181 6.425 0.134 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . rr_1gw3 1 . 1 . 161 . 1 1 11 ALA C C 13.615 3.338 1.027 . . . 1.0 . . . . . . . . . . . . A . 11 ALA C . . . . . . . . . rr_1gw3 1 . 1 . 162 . 1 1 11 ALA CA C 13.959 3.720 -0.393 . . . 1.0 . . . . . . . . . . . . A . 11 ALA CA . . . . . . . . . rr_1gw3 1 . 1 . 163 . 1 1 11 ALA CB C 14.157 2.497 -1.306 . . . 1.0 . . . . . . . . . . . . A . 11 ALA CB . . . . . . . . . rr_1gw3 1 . 1 . 164 . 1 1 11 ALA H H 16.090 4.108 -0.791 . . . 1.0 . . . . . . . . . . . . A . 11 ALA H . . . . . . . . . rr_1gw3 1 . 1 . 165 . 1 1 11 ALA HA H 13.125 4.337 -0.777 . . . 1.0 . . . . . . . . . . . . A . 11 ALA HA . . . . . . . . . rr_1gw3 1 . 1 . 166 . 1 1 11 ALA HB1 H 14.367 2.794 -2.351 . . . 1.0 . . . . . . . . . . . . A . 11 ALA HB1 . . . . . . . . . rr_1gw3 1 . 1 . 167 . 1 1 11 ALA HB2 H 15.001 1.861 -0.974 . . . 1.0 . . . . . . . . . . . . A . 11 ALA HB2 . . . . . . . . . rr_1gw3 1 . 1 . 168 . 1 1 11 ALA HB3 H 13.257 1.855 -1.334 . . . 1.0 . . . . . . . . . . . . A . 11 ALA HB3 . . . . . . . . . rr_1gw3 1 . 1 . 169 . 1 1 11 ALA N N 15.185 4.512 -0.445 . . . 1.0 . . . . . . . . . . . . A . 11 ALA N . . . . . . . . . rr_1gw3 1 . 1 . 170 . 1 1 11 ALA O O 12.445 3.145 1.383 . . . 1.0 . . . . . . . . . . . . A . 11 ALA O . . . . . . . . . rr_1gw3 1 . 1 . 171 . 1 1 12 ARG C C 14.450 4.196 4.102 . . . 1.0 . . . . . . . . . . . . A . 12 ARG C . . . . . . . . . rr_1gw3 1 . 1 . 172 . 1 1 12 ARG CA C 14.433 2.926 3.285 . . . 1.0 . . . . . . . . . . . . A . 12 ARG CA . . . . . . . . . rr_1gw3 1 . 1 . 173 . 1 1 12 ARG CB C 15.534 1.937 3.760 . . . 1.0 . . . . . . . . . . . . A . 12 ARG CB . . . . . . . . . rr_1gw3 1 . 1 . 174 . 1 1 12 ARG CD C 14.357 0.091 2.418 . . . 1.0 . . . . . . . . . . . . A . 12 ARG CD . . . . . . . . . rr_1gw3 1 . 1 . 175 . 1 1 12 ARG CG C 15.700 0.669 2.881 . . . 1.0 . . . . . . . . . . . . A . 12 ARG CG . . . . . . . . . rr_1gw3 1 . 1 . 176 . 1 1 12 ARG CZ C 13.746 -1.925 1.070 . . . 1.0 . . . . . . . . . . . . A . 12 ARG CZ . . . . . . . . . rr_1gw3 1 . 1 . 177 . 1 1 12 ARG H H 15.585 3.261 1.445 . . . 1.0 . . . . . . . . . . . . A . 12 ARG H . . . . . . . . . rr_1gw3 1 . 1 . 178 . 1 1 12 ARG HA H 13.438 2.460 3.404 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HA . . . . . . . . . rr_1gw3 1 . 1 . 179 . 1 1 12 ARG HB2 H 16.511 2.458 3.802 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HB2 . . . . . . . . . rr_1gw3 1 . 1 . 180 . 1 1 12 ARG HB3 H 15.333 1.639 4.810 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HB3 . . . . . . . . . rr_1gw3 1 . 1 . 181 . 1 1 12 ARG HD2 H 13.657 0.006 3.274 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HD2 . . . . . . . . . rr_1gw3 1 . 1 . 182 . 1 1 12 ARG HD3 H 13.882 0.765 1.676 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HD3 . . . . . . . . . rr_1gw3 1 . 1 . 183 . 1 1 12 ARG HE H 15.522 -1.679 1.996 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HE . . . . . . . . . rr_1gw3 1 . 1 . 184 . 1 1 12 ARG HG2 H 16.328 0.897 1.996 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HG2 . . . . . . . . . rr_1gw3 1 . 1 . 185 . 1 1 12 ARG HG3 H 16.250 -0.124 3.427 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HG3 . . . . . . . . . rr_1gw3 1 . 1 . 186 . 1 1 12 ARG HH11 H 12.334 -0.593 1.154 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HH11 . . . . . . . . . rr_1gw3 1 . 1 . 187 . 1 1 12 ARG HH12 H 11.984 -2.122 0.180 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HH12 . . . . . . . . . rr_1gw3 1 . 1 . 188 . 1 1 12 ARG HH21 H 15.074 -3.301 0.922 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HH21 . . . . . . . . . rr_1gw3 1 . 1 . 189 . 1 1 12 ARG HH22 H 13.470 -3.598 0.051 . . . 1.0 . . . . . . . . . . . . A . 12 ARG HH22 . . . . . . . . . rr_1gw3 1 . 1 . 190 . 1 1 12 ARG N N 14.627 3.207 1.864 . . . 1.0 . . . . . . . . . . . . A . 12 ARG N . . . . . . . . . rr_1gw3 1 . 1 . 191 . 1 1 12 ARG NE N 14.605 -1.245 1.817 . . . 1.0 . . . . . . . . . . . . A . 12 ARG NE . . . . . . . . . rr_1gw3 1 . 1 . 192 . 1 1 12 ARG NH1 N 12.553 -1.510 0.762 . . . 1.0 . . . . . . . . . . . . A . 12 ARG NH1 . . . . . . . . . rr_1gw3 1 . 1 . 193 . 1 1 12 ARG NH2 N 14.125 -3.070 0.623 . . . 1.0 . . . . . . . . . . . . A . 12 ARG NH2 . . . . . . . . . rr_1gw3 1 . 1 . 194 . 1 1 12 ARG O O 14.951 4.233 5.235 . . . 1.0 . . . . . . . . . . . . A . 12 ARG O . . . . . . . . . rr_1gw3 1 . 1 . 195 . 1 1 13 ALA C C 12.410 7.125 4.116 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_1gw3 1 . 1 . 196 . 1 1 13 ALA CA C 13.794 6.535 4.260 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_1gw3 1 . 1 . 197 . 1 1 13 ALA CB C 14.895 7.465 3.721 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_1gw3 1 . 1 . 198 . 1 1 13 ALA H H 13.500 5.134 2.592 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_1gw3 1 . 1 . 199 . 1 1 13 ALA HA H 13.959 6.347 5.337 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_1gw3 1 . 1 . 200 . 1 1 13 ALA HB1 H 15.905 7.036 3.872 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_1gw3 1 . 1 . 201 . 1 1 13 ALA HB2 H 14.784 7.656 2.636 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_1gw3 1 . 1 . 202 . 1 1 13 ALA HB3 H 14.889 8.447 4.228 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_1gw3 1 . 1 . 203 . 1 1 13 ALA N N 13.901 5.262 3.551 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_1gw3 1 . 1 . 204 . 1 1 13 ALA O O 11.825 7.649 5.073 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_1gw3 1 . 1 . 205 . 1 1 14 HIS C C 9.466 6.412 2.862 . . . 1.0 . . . . . . . . . . . . A . 14 HIS C . . . . . . . . . rr_1gw3 1 . 1 . 206 . 1 1 14 HIS CA C 10.494 7.502 2.666 . . . 1.0 . . . . . . . . . . . . A . 14 HIS CA . . . . . . . . . rr_1gw3 1 . 1 . 207 . 1 1 14 HIS CB C 10.474 7.986 1.203 . . . 1.0 . . . . . . . . . . . . A . 14 HIS CB . . . . . . . . . rr_1gw3 1 . 1 . 208 . 1 1 14 HIS CD2 C 10.765 5.596 0.411 . . . 1.0 . . . . . . . . . . . . A . 14 HIS CD2 . . . . . . . . . rr_1gw3 1 . 1 . 209 . 1 1 14 HIS CE1 C 9.660 5.696 -1.409 . . . 1.0 . . . . . . . . . . . . A . 14 HIS CE1 . . . . . . . . . rr_1gw3 1 . 1 . 210 . 1 1 14 HIS CG C 10.252 6.871 0.222 . . . 1.0 . . . . . . . . . . . . A . 14 HIS CG . . . . . . . . . rr_1gw3 1 . 1 . 211 . 1 1 14 HIS H H 12.467 6.666 2.155 . . . 1.0 . . . . . . . . . . . . A . 14 HIS H . . . . . . . . . rr_1gw3 1 . 1 . 212 . 1 1 14 HIS HA H 10.265 8.281 3.415 . . . 1.0 . . . . . . . . . . . . A . 14 HIS HA . . . . . . . . . rr_1gw3 1 . 1 . 213 . 1 1 14 HIS HB2 H 9.678 8.741 1.030 . . . 1.0 . . . . . . . . . . . . A . 14 HIS HB2 . . . . . . . . . rr_1gw3 1 . 1 . 214 . 1 1 14 HIS HB3 H 11.423 8.492 0.936 . . . 1.0 . . . . . . . . . . . . A . 14 HIS HB3 . . . . . . . . . rr_1gw3 1 . 1 . 215 . 1 1 14 HIS HD1 H 9.034 7.762 -1.382 . . . 1.0 . . . . . . . . . . . . A . 14 HIS HD1 . . . . . . . . . rr_1gw3 1 . 1 . 216 . 1 1 14 HIS HD2 H 11.363 5.296 1.266 . . . 1.0 . . . . . . . . . . . . A . 14 HIS HD2 . . . . . . . . . rr_1gw3 1 . 1 . 217 . 1 1 14 HIS HE1 H 9.185 5.443 -2.348 . . . 1.0 . . . . . . . . . . . . A . 14 HIS HE1 . . . . . . . . . rr_1gw3 1 . 1 . 218 . 1 1 14 HIS HE2 H 10.588 3.829 -0.830 . . . 1.0 . . . . . . . . . . . . A . 14 HIS HE2 . . . . . . . . . rr_1gw3 1 . 1 . 219 . 1 1 14 HIS N N 11.859 7.046 2.919 . . . 1.0 . . . . . . . . . . . . A . 14 HIS N . . . . . . . . . rr_1gw3 1 . 1 . 220 . 1 1 14 HIS ND1 N 9.528 6.960 -0.964 . . . 1.0 . . . . . . . . . . . . A . 14 HIS ND1 . . . . . . . . . rr_1gw3 1 . 1 . 221 . 1 1 14 HIS NE2 N 10.381 4.823 -0.654 . . . 1.0 . . . . . . . . . . . . A . 14 HIS NE2 . . . . . . . . . rr_1gw3 1 . 1 . 222 . 1 1 14 HIS O O 8.250 6.665 2.770 . . . 1.0 . . . . . . . . . . . . A . 14 HIS O . . . . . . . . . rr_1gw3 1 . 1 . 223 . 1 1 15 VAL C C 8.578 4.041 4.844 . . . 1.0 . . . . . . . . . . . . A . 15 VAL C . . . . . . . . . rr_1gw3 1 . 1 . 224 . 1 1 15 VAL CA C 8.977 4.085 3.388 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CA . . . . . . . . . rr_1gw3 1 . 1 . 225 . 1 1 15 VAL CB C 9.647 2.723 2.947 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CB . . . . . . . . . rr_1gw3 1 . 1 . 226 . 1 1 15 VAL CG1 C 9.096 1.433 3.616 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG1 . . . . . . . . . rr_1gw3 1 . 1 . 227 . 1 1 15 VAL CG2 C 9.581 2.455 1.424 . . . 1.0 . . . . . . . . . . . . A . 15 VAL CG2 . . . . . . . . . rr_1gw3 1 . 1 . 228 . 1 1 15 VAL H H 10.931 5.050 3.094 . . . 1.0 . . . . . . . . . . . . A . 15 VAL H . . . . . . . . . rr_1gw3 1 . 1 . 229 . 1 1 15 VAL HA H 8.051 4.242 2.805 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HA . . . . . . . . . rr_1gw3 1 . 1 . 230 . 1 1 15 VAL HB H 10.723 2.784 3.221 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HB . . . . . . . . . rr_1gw3 1 . 1 . 231 . 1 1 15 VAL HG11 H 8.017 1.285 3.423 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG11 . . . . . . . . . rr_1gw3 1 . 1 . 232 . 1 1 15 VAL HG12 H 9.620 0.523 3.267 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG12 . . . . . . . . . rr_1gw3 1 . 1 . 233 . 1 1 15 VAL HG13 H 9.232 1.436 4.714 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG13 . . . . . . . . . rr_1gw3 1 . 1 . 234 . 1 1 15 VAL HG21 H 10.014 3.287 0.841 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG21 . . . . . . . . . rr_1gw3 1 . 1 . 235 . 1 1 15 VAL HG22 H 10.154 1.551 1.140 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG22 . . . . . . . . . rr_1gw3 1 . 1 . 236 . 1 1 15 VAL HG23 H 8.544 2.312 1.068 . . . 1.0 . . . . . . . . . . . . A . 15 VAL HG23 . . . . . . . . . rr_1gw3 1 . 1 . 237 . 1 1 15 VAL N N 9.893 5.193 3.128 . . . 1.0 . . . . . . . . . . . . A . 15 VAL N . . . . . . . . . rr_1gw3 1 . 1 . 238 . 1 1 15 VAL O O 7.459 3.655 5.202 . . . 1.0 . . . . . . . . . . . . A . 15 VAL O . . . . . . . . . rr_1gw3 1 . 1 . 239 . 1 1 16 ASP C C 8.236 5.553 7.494 . . . 1.0 . . . . . . . . . . . . A . 16 ASP C . . . . . . . . . rr_1gw3 1 . 1 . 240 . 1 1 16 ASP CA C 9.230 4.468 7.149 . . . 1.0 . . . . . . . . . . . . A . 16 ASP CA . . . . . . . . . rr_1gw3 1 . 1 . 241 . 1 1 16 ASP CB C 10.558 4.631 7.934 . . . 1.0 . . . . . . . . . . . . A . 16 ASP CB . . . . . . . . . rr_1gw3 1 . 1 . 242 . 1 1 16 ASP CG C 11.139 3.363 8.577 . . . 1.0 . . . . . . . . . . . . A . 16 ASP CG . . . . . . . . . rr_1gw3 1 . 1 . 243 . 1 1 16 ASP H H 10.426 4.693 5.313 . . . 1.0 . . . . . . . . . . . . A . 16 ASP H . . . . . . . . . rr_1gw3 1 . 1 . 244 . 1 1 16 ASP HA H 8.752 3.505 7.406 . . . 1.0 . . . . . . . . . . . . A . 16 ASP HA . . . . . . . . . rr_1gw3 1 . 1 . 245 . 1 1 16 ASP HB2 H 11.346 5.067 7.295 . . . 1.0 . . . . . . . . . . . . A . 16 ASP HB2 . . . . . . . . . rr_1gw3 1 . 1 . 246 . 1 1 16 ASP HB3 H 10.415 5.374 8.744 . . . 1.0 . . . . . . . . . . . . A . 16 ASP HB3 . . . . . . . . . rr_1gw3 1 . 1 . 247 . 1 1 16 ASP N N 9.491 4.436 5.712 . . . 1.0 . . . . . . . . . . . . A . 16 ASP N . . . . . . . . . rr_1gw3 1 . 1 . 248 . 1 1 16 ASP O O 7.444 5.435 8.436 . . . 1.0 . . . . . . . . . . . . A . 16 ASP O . . . . . . . . . rr_1gw3 1 . 1 . 249 . 1 1 16 ASP OD1 O 10.561 3.067 9.780 . . . 1.0 . . . . . . . . . . . . A . 16 ASP OD1 . . . . . . . . . rr_1gw3 1 . 1 . 250 . 1 1 16 ASP OD2 O 12.023 2.698 8.058 . . . 1.0 . . . . . . . . . . . . A . 16 ASP OD2 . . . . . . . . . rr_1gw3 1 . 1 . 251 . 1 1 17 ALA C C 5.982 7.347 6.217 . . . 1.0 . . . . . . . . . . . . A . 17 ALA C . . . . . . . . . rr_1gw3 1 . 1 . 252 . 1 1 17 ALA CA C 7.290 7.708 6.882 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CA . . . . . . . . . rr_1gw3 1 . 1 . 253 . 1 1 17 ALA CB C 7.917 8.989 6.305 . . . 1.0 . . . . . . . . . . . . A . 17 ALA CB . . . . . . . . . rr_1gw3 1 . 1 . 254 . 1 1 17 ALA H H 9.053 6.689 6.045 . . . 1.0 . . . . . . . . . . . . A . 17 ALA H . . . . . . . . . rr_1gw3 1 . 1 . 255 . 1 1 17 ALA HA H 7.081 7.853 7.958 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HA . . . . . . . . . rr_1gw3 1 . 1 . 256 . 1 1 17 ALA HB1 H 8.854 9.260 6.829 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB1 . . . . . . . . . rr_1gw3 1 . 1 . 257 . 1 1 17 ALA HB2 H 8.166 8.884 5.231 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB2 . . . . . . . . . rr_1gw3 1 . 1 . 258 . 1 1 17 ALA HB3 H 7.240 9.858 6.398 . . . 1.0 . . . . . . . . . . . . A . 17 ALA HB3 . . . . . . . . . rr_1gw3 1 . 1 . 259 . 1 1 17 ALA N N 8.266 6.633 6.736 . . . 1.0 . . . . . . . . . . . . A . 17 ALA N . . . . . . . . . rr_1gw3 1 . 1 . 260 . 1 1 17 ALA O O 4.900 7.784 6.628 . . . 1.0 . . . . . . . . . . . . A . 17 ALA O . . . . . . . . . rr_1gw3 1 . 1 . 261 . 1 1 18 LEU C C 3.976 5.329 5.517 . . . 1.0 . . . . . . . . . . . . A . 18 LEU C . . . . . . . . . rr_1gw3 1 . 1 . 262 . 1 1 18 LEU CA C 4.873 6.012 4.511 . . . 1.0 . . . . . . . . . . . . A . 18 LEU CA . . . . . . . . . rr_1gw3 1 . 1 . 263 . 1 1 18 LEU CB C 5.273 5.031 3.370 . . . 1.0 . . . . . . . . . . . . A . 18 LEU CB . . . . . . . . . rr_1gw3 1 . 1 . 264 . 1 1 18 LEU CD1 C 2.946 4.336 2.521 . . . 1.0 . . . . . . . . . . . . A . 18 LEU CD1 . . . . . . . . . rr_1gw3 1 . 1 . 265 . 1 1 18 LEU CD2 C 4.150 6.276 1.473 . . . 1.0 . . . . . . . . . . . . A . 18 LEU CD2 . . . . . . . . . rr_1gw3 1 . 1 . 266 . 1 1 18 LEU CG C 4.324 4.908 2.148 . . . 1.0 . . . . . . . . . . . . A . 18 LEU CG . . . . . . . . . rr_1gw3 1 . 1 . 267 . 1 1 18 LEU H H 7.028 6.348 4.815 . . . 1.0 . . . . . . . . . . . . A . 18 LEU H . . . . . . . . . rr_1gw3 1 . 1 . 268 . 1 1 18 LEU HA H 4.284 6.843 4.085 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HA . . . . . . . . . rr_1gw3 1 . 1 . 269 . 1 1 18 LEU HB2 H 6.282 5.305 3.001 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HB2 . . . . . . . . . rr_1gw3 1 . 1 . 270 . 1 1 18 LEU HB3 H 5.398 4.025 3.814 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HB3 . . . . . . . . . rr_1gw3 1 . 1 . 271 . 1 1 18 LEU HD11 H 3.022 3.354 3.022 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HD11 . . . . . . . . . rr_1gw3 1 . 1 . 272 . 1 1 18 LEU HD12 H 2.403 5.014 3.206 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HD12 . . . . . . . . . rr_1gw3 1 . 1 . 273 . 1 1 18 LEU HD13 H 2.297 4.212 1.635 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HD13 . . . . . . . . . rr_1gw3 1 . 1 . 274 . 1 1 18 LEU HD21 H 3.756 7.034 2.176 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HD21 . . . . . . . . . rr_1gw3 1 . 1 . 275 . 1 1 18 LEU HD22 H 5.103 6.669 1.070 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HD22 . . . . . . . . . rr_1gw3 1 . 1 . 276 . 1 1 18 LEU HD23 H 3.436 6.227 0.630 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HD23 . . . . . . . . . rr_1gw3 1 . 1 . 277 . 1 1 18 LEU HG H 4.796 4.223 1.413 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HG . . . . . . . . . rr_1gw3 1 . 1 . 278 . 1 1 18 LEU N N 6.061 6.563 5.157 . . . 1.0 . . . . . . . . . . . . A . 18 LEU N . . . . . . . . . rr_1gw3 1 . 1 . 279 . 1 1 18 LEU O O 2.754 5.518 5.532 . . . 1.0 . . . . . . . . . . . . A . 18 LEU O . . . . . . . . . rr_1gw3 1 . 1 . 280 . 1 1 19 ARG C C 2.935 4.452 8.187 . . . 1.0 . . . . . . . . . . . . A . 19 ARG C . . . . . . . . . rr_1gw3 1 . 1 . 281 . 1 1 19 ARG CA C 3.801 3.636 7.255 . . . 1.0 . . . . . . . . . . . . A . 19 ARG CA . . . . . . . . . rr_1gw3 1 . 1 . 282 . 1 1 19 ARG CB C 4.788 2.733 8.045 . . . 1.0 . . . . . . . . . . . . A . 19 ARG CB . . . . . . . . . rr_1gw3 1 . 1 . 283 . 1 1 19 ARG CD C 5.615 0.343 7.600 . . . 1.0 . . . . . . . . . . . . A . 19 ARG CD . . . . . . . . . rr_1gw3 1 . 1 . 284 . 1 1 19 ARG CG C 5.676 1.813 7.164 . . . 1.0 . . . . . . . . . . . . A . 19 ARG CG . . . . . . . . . rr_1gw3 1 . 1 . 285 . 1 1 19 ARG CZ C 7.108 -1.556 6.956 . . . 1.0 . . . . . . . . . . . . A . 19 ARG CZ . . . . . . . . . rr_1gw3 1 . 1 . 286 . 1 1 19 ARG H H 5.612 4.470 6.320 . . . 1.0 . . . . . . . . . . . . A . 19 ARG H . . . . . . . . . rr_1gw3 1 . 1 . 287 . 1 1 19 ARG HA H 3.129 3.006 6.642 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HA . . . . . . . . . rr_1gw3 1 . 1 . 288 . 1 1 19 ARG HB2 H 5.430 3.366 8.691 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HB2 . . . . . . . . . rr_1gw3 1 . 1 . 289 . 1 1 19 ARG HB3 H 4.224 2.094 8.753 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HB3 . . . . . . . . . rr_1gw3 1 . 1 . 290 . 1 1 19 ARG HD2 H 6.002 0.230 8.633 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HD2 . . . . . . . . . rr_1gw3 1 . 1 . 291 . 1 1 19 ARG HD3 H 4.565 -0.014 7.606 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HD3 . . . . . . . . . rr_1gw3 1 . 1 . 292 . 1 1 19 ARG HE H 6.468 -0.136 5.674 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HE . . . . . . . . . rr_1gw3 1 . 1 . 293 . 1 1 19 ARG HG2 H 5.375 1.873 6.099 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HG2 . . . . . . . . . rr_1gw3 1 . 1 . 294 . 1 1 19 ARG HG3 H 6.728 2.162 7.188 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HG3 . . . . . . . . . rr_1gw3 1 . 1 . 295 . 1 1 19 ARG HH11 H 6.605 -1.569 8.832 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HH11 . . . . . . . . . rr_1gw3 1 . 1 . 296 . 1 1 19 ARG HH12 H 7.709 -2.931 8.253 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HH12 . . . . . . . . . rr_1gw3 1 . 1 . 297 . 1 1 19 ARG HH21 H 7.664 -1.635 5.122 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HH21 . . . . . . . . . rr_1gw3 1 . 1 . 298 . 1 1 19 ARG HH22 H 8.289 -2.972 6.238 . . . 1.0 . . . . . . . . . . . . A . 19 ARG HH22 . . . . . . . . . rr_1gw3 1 . 1 . 299 . 1 1 19 ARG N N 4.564 4.498 6.357 . . . 1.0 . . . . . . . . . . . . A . 19 ARG N . . . . . . . . . rr_1gw3 1 . 1 . 300 . 1 1 19 ARG NE N 6.428 -0.459 6.651 . . . 1.0 . . . . . . . . . . . . A . 19 ARG NE . . . . . . . . . rr_1gw3 1 . 1 . 301 . 1 1 19 ARG NH1 N 7.151 -2.086 8.142 . . . 1.0 . . . . . . . . . . . . A . 19 ARG NH1 . . . . . . . . . rr_1gw3 1 . 1 . 302 . 1 1 19 ARG NH2 N 7.764 -2.130 6.011 . . . 1.0 . . . . . . . . . . . . A . 19 ARG NH2 . . . . . . . . . rr_1gw3 1 . 1 . 303 . 1 1 19 ARG O O 1.763 4.135 8.429 . . . 1.0 . . . . . . . . . . . . A . 19 ARG O . . . . . . . . . rr_1gw3 1 . 1 . 304 . 1 1 20 THR C C 1.646 7.107 8.941 . . . 1.0 . . . . . . . . . . . . A . 20 THR C . . . . . . . . . rr_1gw3 1 . 1 . 305 . 1 1 20 THR CA C 2.770 6.389 9.650 . . . 1.0 . . . . . . . . . . . . A . 20 THR CA . . . . . . . . . rr_1gw3 1 . 1 . 306 . 1 1 20 THR CB C 3.746 7.414 10.320 . . . 1.0 . . . . . . . . . . . . A . 20 THR CB . . . . . . . . . rr_1gw3 1 . 1 . 307 . 1 1 20 THR CG2 C 3.115 8.732 10.820 . . . 1.0 . . . . . . . . . . . . A . 20 THR CG2 . . . . . . . . . rr_1gw3 1 . 1 . 308 . 1 1 20 THR H H 4.476 5.727 8.424 . . . 1.0 . . . . . . . . . . . . A . 20 THR H . . . . . . . . . rr_1gw3 1 . 1 . 309 . 1 1 20 THR HA H 2.316 5.762 10.439 . . . 1.0 . . . . . . . . . . . . A . 20 THR HA . . . . . . . . . rr_1gw3 1 . 1 . 310 . 1 1 20 THR HB H 4.545 7.664 9.590 . . . 1.0 . . . . . . . . . . . . A . 20 THR HB . . . . . . . . . rr_1gw3 1 . 1 . 311 . 1 1 20 THR HG1 H 4.981 7.497 11.794 . . . 1.0 . . . . . . . . . . . . A . 20 THR HG1 . . . . . . . . . rr_1gw3 1 . 1 . 312 . 1 1 20 THR HG21 H 2.312 8.549 11.559 . . . 1.0 . . . . . . . . . . . . A . 20 THR HG21 . . . . . . . . . rr_1gw3 1 . 1 . 313 . 1 1 20 THR HG22 H 3.859 9.393 11.301 . . . 1.0 . . . . . . . . . . . . A . 20 THR HG22 . . . . . . . . . rr_1gw3 1 . 1 . 314 . 1 1 20 THR HG23 H 2.672 9.327 9.999 . . . 1.0 . . . . . . . . . . . . A . 20 THR HG23 . . . . . . . . . rr_1gw3 1 . 1 . 315 . 1 1 20 THR N N 3.495 5.517 8.729 . . . 1.0 . . . . . . . . . . . . A . 20 THR N . . . . . . . . . rr_1gw3 1 . 1 . 316 . 1 1 20 THR O O 0.561 7.324 9.493 . . . 1.0 . . . . . . . . . . . . A . 20 THR O . . . . . . . . . rr_1gw3 1 . 1 . 317 . 1 1 20 THR OG1 O 4.347 6.846 11.476 . . . 1.0 . . . . . . . . . . . . A . 20 THR OG1 . . . . . . . . . rr_1gw3 1 . 1 . 318 . 1 1 21 HIS C C -0.375 7.597 6.761 . . . 1.0 . . . . . . . . . . . . A . 21 HIS C . . . . . . . . . rr_1gw3 1 . 1 . 319 . 1 1 21 HIS CA C 0.943 8.312 6.949 . . . 1.0 . . . . . . . . . . . . A . 21 HIS CA . . . . . . . . . rr_1gw3 1 . 1 . 320 . 1 1 21 HIS CB C 1.598 8.595 5.586 . . . 1.0 . . . . . . . . . . . . A . 21 HIS CB . . . . . . . . . rr_1gw3 1 . 1 . 321 . 1 1 21 HIS CD2 C 3.186 10.571 5.558 . . . 1.0 . . . . . . . . . . . . A . 21 HIS CD2 . . . . . . . . . rr_1gw3 1 . 1 . 322 . 1 1 21 HIS CE1 C 1.815 12.110 5.016 . . . 1.0 . . . . . . . . . . . . A . 21 HIS CE1 . . . . . . . . . rr_1gw3 1 . 1 . 323 . 1 1 21 HIS CG C 1.910 10.050 5.394 . . . 1.0 . . . . . . . . . . . . A . 21 HIS CG . . . . . . . . . rr_1gw3 1 . 1 . 324 . 1 1 21 HIS H H 2.789 7.153 7.284 . . . 1.0 . . . . . . . . . . . . A . 21 HIS H . . . . . . . . . rr_1gw3 1 . 1 . 325 . 1 1 21 HIS HA H 0.732 9.210 7.553 . . . 1.0 . . . . . . . . . . . . A . 21 HIS HA . . . . . . . . . rr_1gw3 1 . 1 . 326 . 1 1 21 HIS HB2 H 2.545 8.030 5.457 . . . 1.0 . . . . . . . . . . . . A . 21 HIS HB2 . . . . . . . . . rr_1gw3 1 . 1 . 327 . 1 1 21 HIS HB3 H 0.945 8.271 4.751 . . . 1.0 . . . . . . . . . . . . A . 21 HIS HB3 . . . . . . . . . rr_1gw3 1 . 1 . 328 . 1 1 21 HIS HD1 H -0.014 10.974 4.851 . . . 1.0 . . . . . . . . . . . . A . 21 HIS HD1 . . . . . . . . . rr_1gw3 1 . 1 . 329 . 1 1 21 HIS HD2 H 4.059 9.987 5.835 . . . 1.0 . . . . . . . . . . . . A . 21 HIS HD2 . . . . . . . . . rr_1gw3 1 . 1 . 330 . 1 1 21 HIS HE1 H 1.379 13.068 4.764 . . . 1.0 . . . . . . . . . . . . A . 21 HIS HE1 . . . . . . . . . rr_1gw3 1 . 1 . 331 . 1 1 21 HIS HE2 H 3.895 12.607 5.340 . . . 1.0 . . . . . . . . . . . . A . 21 HIS HE2 . . . . . . . . . rr_1gw3 1 . 1 . 332 . 1 1 21 HIS N N 1.885 7.486 7.699 . . . 1.0 . . . . . . . . . . . . A . 21 HIS N . . . . . . . . . rr_1gw3 1 . 1 . 333 . 1 1 21 HIS ND1 N 0.996 11.041 5.040 . . . 1.0 . . . . . . . . . . . . A . 21 HIS ND1 . . . . . . . . . rr_1gw3 1 . 1 . 334 . 1 1 21 HIS NE2 N 3.129 11.918 5.310 . . . 1.0 . . . . . . . . . . . . A . 21 HIS NE2 . . . . . . . . . rr_1gw3 1 . 1 . 335 . 1 1 21 HIS O O -1.450 8.210 6.746 . . . 1.0 . . . . . . . . . . . . A . 21 HIS O . . . . . . . . . rr_1gw3 1 . 1 . 336 . 1 1 22 LEU C C -1.412 4.145 7.047 . . . 1.0 . . . . . . . . . . . . A . 22 LEU C . . . . . . . . . rr_1gw3 1 . 1 . 337 . 1 1 22 LEU CA C -1.513 5.485 6.356 . . . 1.0 . . . . . . . . . . . . A . 22 LEU CA . . . . . . . . . rr_1gw3 1 . 1 . 338 . 1 1 22 LEU CB C -1.753 5.305 4.830 . . . 1.0 . . . . . . . . . . . . A . 22 LEU CB . . . . . . . . . rr_1gw3 1 . 1 . 339 . 1 1 22 LEU CD1 C -0.775 5.735 2.490 . . . 1.0 . . . . . . . . . . . . A . 22 LEU CD1 . . . . . . . . . rr_1gw3 1 . 1 . 340 . 1 1 22 LEU CD2 C -2.063 7.537 3.676 . . . 1.0 . . . . . . . . . . . . A . 22 LEU CD2 . . . . . . . . . rr_1gw3 1 . 1 . 341 . 1 1 22 LEU CG C -1.120 6.340 3.861 . . . 1.0 . . . . . . . . . . . . A . 22 LEU CG . . . . . . . . . rr_1gw3 1 . 1 . 342 . 1 1 22 LEU H H 0.630 5.850 6.698 . . . 1.0 . . . . . . . . . . . . A . 22 LEU H . . . . . . . . . rr_1gw3 1 . 1 . 343 . 1 1 22 LEU HA H -2.377 6.002 6.810 . . . 1.0 . . . . . . . . . . . . A . 22 LEU HA . . . . . . . . . rr_1gw3 1 . 1 . 344 . 1 1 22 LEU HB2 H -1.403 4.296 4.532 . . . 1.0 . . . . . . . . . . . . A . 22 LEU HB2 . . . . . . . . . rr_1gw3 1 . 1 . 345 . 1 1 22 LEU HB3 H -2.846 5.284 4.647 . . . 1.0 . . . . . . . . . . . . A . 22 LEU HB3 . . . . . . . . . rr_1gw3 1 . 1 . 346 . 1 1 22 LEU HD11 H -0.201 4.796 2.599 . . . 1.0 . . . . . . . . . . . . A . 22 LEU HD11 . . . . . . . . . rr_1gw3 1 . 1 . 347 . 1 1 22 LEU HD12 H -1.682 5.474 1.914 . . . 1.0 . . . . . . . . . . . . A . 22 LEU HD12 . . . . . . . . . rr_1gw3 1 . 1 . 348 . 1 1 22 LEU HD13 H -0.169 6.421 1.870 . . . 1.0 . . . . . . . . . . . . A . 22 LEU HD13 . . . . . . . . . rr_1gw3 1 . 1 . 349 . 1 1 22 LEU HD21 H -2.368 7.974 4.646 . . . 1.0 . . . . . . . . . . . . A . 22 LEU HD21 . . . . . . . . . rr_1gw3 1 . 1 . 350 . 1 1 22 LEU HD22 H -1.600 8.349 3.083 . . . 1.0 . . . . . . . . . . . . A . 22 LEU HD22 . . . . . . . . . rr_1gw3 1 . 1 . 351 . 1 1 22 LEU HD23 H -2.994 7.245 3.155 . . . 1.0 . . . . . . . . . . . . A . 22 LEU HD23 . . . . . . . . . rr_1gw3 1 . 1 . 352 . 1 1 22 LEU HG H -0.181 6.714 4.321 . . . 1.0 . . . . . . . . . . . . A . 22 LEU HG . . . . . . . . . rr_1gw3 1 . 1 . 353 . 1 1 22 LEU N N -0.317 6.289 6.597 . . . 1.0 . . . . . . . . . . . . A . 22 LEU N . . . . . . . . . rr_1gw3 1 . 1 . 354 . 1 1 22 LEU O O -1.610 3.083 6.446 . . . 1.0 . . . . . . . . . . . . A . 22 LEU O . . . . . . . . . rr_1gw3 1 . 1 . 355 . 1 1 23 ALA C C -2.568 2.526 9.406 . . . 1.0 . . . . . . . . . . . . A . 23 ALA C . . . . . . . . . rr_1gw3 1 . 1 . 356 . 1 1 23 ALA CA C -1.146 2.973 9.163 . . . 1.0 . . . . . . . . . . . . A . 23 ALA CA . . . . . . . . . rr_1gw3 1 . 1 . 357 . 1 1 23 ALA CB C -0.388 3.284 10.465 . . . 1.0 . . . . . . . . . . . . A . 23 ALA CB . . . . . . . . . rr_1gw3 1 . 1 . 358 . 1 1 23 ALA H H -0.830 5.106 8.719 . . . 1.0 . . . . . . . . . . . . A . 23 ALA H . . . . . . . . . rr_1gw3 1 . 1 . 359 . 1 1 23 ALA HA H -0.632 2.155 8.624 . . . 1.0 . . . . . . . . . . . . A . 23 ALA HA . . . . . . . . . rr_1gw3 1 . 1 . 360 . 1 1 23 ALA HB1 H 0.662 3.573 10.270 . . . 1.0 . . . . . . . . . . . . A . 23 ALA HB1 . . . . . . . . . rr_1gw3 1 . 1 . 361 . 1 1 23 ALA HB2 H -0.854 4.116 11.029 . . . 1.0 . . . . . . . . . . . . A . 23 ALA HB2 . . . . . . . . . rr_1gw3 1 . 1 . 362 . 1 1 23 ALA HB3 H -0.356 2.410 11.142 . . . 1.0 . . . . . . . . . . . . A . 23 ALA HB3 . . . . . . . . . rr_1gw3 1 . 1 . 363 . 1 1 23 ALA N N -1.111 4.173 8.333 . . . 1.0 . . . . . . . . . . . . A . 23 ALA N . . . . . . . . . rr_1gw3 1 . 1 . 364 . 1 1 23 ALA O O -2.986 1.433 9.014 . . . 1.0 . . . . . . . . . . . . A . 23 ALA O . . . . . . . . . rr_1gw3 1 . 1 . 365 . 1 1 24 PRO C C -5.781 3.331 9.233 . . . 1.0 . . . . . . . . . . . . A . 24 PRO C . . . . . . . . . rr_1gw3 1 . 1 . 366 . 1 1 24 PRO CA C -4.819 3.178 10.394 . . . 1.0 . . . . . . . . . . . . A . 24 PRO CA . . . . . . . . . rr_1gw3 1 . 1 . 367 . 1 1 24 PRO CB C -5.170 4.224 11.442 . . . 1.0 . . . . . . . . . . . . A . 24 PRO CB . . . . . . . . . rr_1gw3 1 . 1 . 368 . 1 1 24 PRO CD C -2.922 4.687 10.617 . . . 1.0 . . . . . . . . . . . . A . 24 PRO CD . . . . . . . . . rr_1gw3 1 . 1 . 369 . 1 1 24 PRO CG C -4.198 5.366 11.117 . . . 1.0 . . . . . . . . . . . . A . 24 PRO CG . . . . . . . . . rr_1gw3 1 . 1 . 370 . 1 1 24 PRO HA H -4.958 2.179 10.788 . . . 1.0 . . . . . . . . . . . . A . 24 PRO HA . . . . . . . . . rr_1gw3 1 . 1 . 371 . 1 1 24 PRO HB2 H -6.202 4.568 11.276 . . . 1.0 . . . . . . . . . . . . A . 24 PRO HB2 . . . . . . . . . rr_1gw3 1 . 1 . 372 . 1 1 24 PRO HB3 H -4.917 3.827 12.445 . . . 1.0 . . . . . . . . . . . . A . 24 PRO HB3 . . . . . . . . . rr_1gw3 1 . 1 . 373 . 1 1 24 PRO HD2 H -2.485 5.292 9.802 . . . 1.0 . . . . . . . . . . . . A . 24 PRO HD2 . . . . . . . . . rr_1gw3 1 . 1 . 374 . 1 1 24 PRO HD3 H -2.226 4.529 11.460 . . . 1.0 . . . . . . . . . . . . A . 24 PRO HD3 . . . . . . . . . rr_1gw3 1 . 1 . 375 . 1 1 24 PRO HG2 H -4.692 5.998 10.367 . . . 1.0 . . . . . . . . . . . . A . 24 PRO HG2 . . . . . . . . . rr_1gw3 1 . 1 . 376 . 1 1 24 PRO HG3 H -3.791 5.866 12.020 . . . 1.0 . . . . . . . . . . . . A . 24 PRO HG3 . . . . . . . . . rr_1gw3 1 . 1 . 377 . 1 1 24 PRO N N -3.338 3.377 10.066 . . . 1.0 . . . . . . . . . . . . A . 24 PRO N . . . . . . . . . rr_1gw3 1 . 1 . 378 . 1 1 24 PRO O O -6.940 2.895 9.310 . . . 1.0 . . . . . . . . . . . . A . 24 PRO O . . . . . . . . . rr_1gw3 1 . 1 . 379 . 1 1 25 TYR C C -5.929 2.852 6.028 . . . 1.0 . . . . . . . . . . . . A . 25 TYR C . . . . . . . . . rr_1gw3 1 . 1 . 380 . 1 1 25 TYR CA C -6.144 4.046 6.931 . . . 1.0 . . . . . . . . . . . . A . 25 TYR CA . . . . . . . . . rr_1gw3 1 . 1 . 381 . 1 1 25 TYR CB C -5.768 5.330 6.134 . . . 1.0 . . . . . . . . . . . . A . 25 TYR CB . . . . . . . . . rr_1gw3 1 . 1 . 382 . 1 1 25 TYR CD1 C -5.790 6.666 8.316 . . . 1.0 . . . . . . . . . . . . A . 25 TYR CD1 . . . . . . . . . rr_1gw3 1 . 1 . 383 . 1 1 25 TYR CD2 C -5.530 7.851 6.227 . . . 1.0 . . . . . . . . . . . . A . 25 TYR CD2 . . . . . . . . . rr_1gw3 1 . 1 . 384 . 1 1 25 TYR CE1 C -5.721 7.873 9.006 . . . 1.0 . . . . . . . . . . . . A . 25 TYR CE1 . . . . . . . . . rr_1gw3 1 . 1 . 385 . 1 1 25 TYR CE2 C -5.464 9.056 6.919 . . . 1.0 . . . . . . . . . . . . A . 25 TYR CE2 . . . . . . . . . rr_1gw3 1 . 1 . 386 . 1 1 25 TYR CG C -5.694 6.645 6.921 . . . 1.0 . . . . . . . . . . . . A . 25 TYR CG . . . . . . . . . rr_1gw3 1 . 1 . 387 . 1 1 25 TYR CZ C -5.557 9.067 8.308 . . . 1.0 . . . . . . . . . . . . A . 25 TYR CZ . . . . . . . . . rr_1gw3 1 . 1 . 388 . 1 1 25 TYR H H -4.369 4.330 8.209 . . . 1.0 . . . . . . . . . . . . A . 25 TYR H . . . . . . . . . rr_1gw3 1 . 1 . 389 . 1 1 25 TYR HA H -7.214 4.074 7.207 . . . 1.0 . . . . . . . . . . . . A . 25 TYR HA . . . . . . . . . rr_1gw3 1 . 1 . 390 . 1 1 25 TYR HB2 H -4.787 5.193 5.637 . . . 1.0 . . . . . . . . . . . . A . 25 TYR HB2 . . . . . . . . . rr_1gw3 1 . 1 . 391 . 1 1 25 TYR HB3 H -6.471 5.441 5.275 . . . 1.0 . . . . . . . . . . . . A . 25 TYR HB3 . . . . . . . . . rr_1gw3 1 . 1 . 392 . 1 1 25 TYR HD1 H -5.913 5.743 8.867 . . . 1.0 . . . . . . . . . . . . A . 25 TYR HD1 . . . . . . . . . rr_1gw3 1 . 1 . 393 . 1 1 25 TYR HD2 H -5.445 7.849 5.148 . . . 1.0 . . . . . . . . . . . . A . 25 TYR HD2 . . . . . . . . . rr_1gw3 1 . 1 . 394 . 1 1 25 TYR HE1 H -5.789 7.887 10.084 . . . 1.0 . . . . . . . . . . . . A . 25 TYR HE1 . . . . . . . . . rr_1gw3 1 . 1 . 395 . 1 1 25 TYR HE2 H -5.333 9.977 6.370 . . . 1.0 . . . . . . . . . . . . A . 25 TYR HE2 . . . . . . . . . rr_1gw3 1 . 1 . 396 . 1 1 25 TYR HH H -6.111 10.866 8.599 . . . 1.0 . . . . . . . . . . . . A . 25 TYR HH . . . . . . . . . rr_1gw3 1 . 1 . 397 . 1 1 25 TYR N N -5.342 3.933 8.144 . . . 1.0 . . . . . . . . . . . . A . 25 TYR N . . . . . . . . . rr_1gw3 1 . 1 . 398 . 1 1 25 TYR O O -5.292 2.944 4.972 . . . 1.0 . . . . . . . . . . . . A . 25 TYR O . . . . . . . . . rr_1gw3 1 . 1 . 399 . 1 1 25 TYR OH O -5.488 10.249 8.988 . . . 1.0 . . . . . . . . . . . . A . 25 TYR OH . . . . . . . . . rr_1gw3 1 . 1 . 400 . 1 1 26 SER C C -7.568 -0.371 5.775 . . . 1.0 . . . . . . . . . . . . A . 26 SER C . . . . . . . . . rr_1gw3 1 . 1 . 401 . 1 1 26 SER CA C -6.324 0.478 5.650 . . . 1.0 . . . . . . . . . . . . A . 26 SER CA . . . . . . . . . rr_1gw3 1 . 1 . 402 . 1 1 26 SER CB C -5.054 -0.310 6.058 . . . 1.0 . . . . . . . . . . . . A . 26 SER CB . . . . . . . . . rr_1gw3 1 . 1 . 403 . 1 1 26 SER H H -6.970 1.731 7.340 . . . 1.0 . . . . . . . . . . . . A . 26 SER H . . . . . . . . . rr_1gw3 1 . 1 . 404 . 1 1 26 SER HA H -6.234 0.759 4.585 . . . 1.0 . . . . . . . . . . . . A . 26 SER HA . . . . . . . . . rr_1gw3 1 . 1 . 405 . 1 1 26 SER HB2 H -4.716 -0.938 5.211 . . . 1.0 . . . . . . . . . . . . A . 26 SER HB2 . . . . . . . . . rr_1gw3 1 . 1 . 406 . 1 1 26 SER HB3 H -4.207 0.374 6.262 . . . 1.0 . . . . . . . . . . . . A . 26 SER HB3 . . . . . . . . . rr_1gw3 1 . 1 . 407 . 1 1 26 SER HG H -4.641 -1.887 7.126 . . . 1.0 . . . . . . . . . . . . A . 26 SER HG . . . . . . . . . rr_1gw3 1 . 1 . 408 . 1 1 26 SER N N -6.448 1.707 6.431 . . . 1.0 . . . . . . . . . . . . A . 26 SER N . . . . . . . . . rr_1gw3 1 . 1 . 409 . 1 1 26 SER O O -8.140 -0.838 4.783 . . . 1.0 . . . . . . . . . . . . A . 26 SER O . . . . . . . . . rr_1gw3 1 . 1 . 410 . 1 1 26 SER OG O -5.266 -1.159 7.192 . . . 1.0 . . . . . . . . . . . . A . 26 SER OG . . . . . . . . . rr_1gw3 1 . 1 . 411 . 1 1 27 ASP C C -10.457 -0.664 6.988 . . . 1.0 . . . . . . . . . . . . A . 27 ASP C . . . . . . . . . rr_1gw3 1 . 1 . 412 . 1 1 27 ASP CA C -9.178 -1.418 7.271 . . . 1.0 . . . . . . . . . . . . A . 27 ASP CA . . . . . . . . . rr_1gw3 1 . 1 . 413 . 1 1 27 ASP CB C -9.134 -1.951 8.727 . . . 1.0 . . . . . . . . . . . . A . 27 ASP CB . . . . . . . . . rr_1gw3 1 . 1 . 414 . 1 1 27 ASP CG C -8.380 -3.270 8.957 . . . 1.0 . . . . . . . . . . . . A . 27 ASP CG . . . . . . . . . rr_1gw3 1 . 1 . 415 . 1 1 27 ASP H H -7.454 -0.145 7.773 . . . 1.0 . . . . . . . . . . . . A . 27 ASP H . . . . . . . . . rr_1gw3 1 . 1 . 416 . 1 1 27 ASP HA H -9.140 -2.260 6.556 . . . 1.0 . . . . . . . . . . . . A . 27 ASP HA . . . . . . . . . rr_1gw3 1 . 1 . 417 . 1 1 27 ASP HB2 H -8.702 -1.201 9.412 . . . 1.0 . . . . . . . . . . . . A . 27 ASP HB2 . . . . . . . . . rr_1gw3 1 . 1 . 418 . 1 1 27 ASP HB3 H -10.170 -2.098 9.094 . . . 1.0 . . . . . . . . . . . . A . 27 ASP HB3 . . . . . . . . . rr_1gw3 1 . 1 . 419 . 1 1 27 ASP N N -8.008 -0.588 7.001 . . . 1.0 . . . . . . . . . . . . A . 27 ASP N . . . . . . . . . rr_1gw3 1 . 1 . 420 . 1 1 27 ASP O O -11.454 -1.228 6.520 . . . 1.0 . . . . . . . . . . . . A . 27 ASP O . . . . . . . . . rr_1gw3 1 . 1 . 421 . 1 1 27 ASP OD1 O -7.041 -3.165 8.706 . . . 1.0 . . . . . . . . . . . . A . 27 ASP OD1 . . . . . . . . . rr_1gw3 1 . 1 . 422 . 1 1 27 ASP OD2 O -8.931 -4.298 9.321 . . . 1.0 . . . . . . . . . . . . A . 27 ASP OD2 . . . . . . . . . rr_1gw3 1 . 1 . 423 . 1 1 28 GLU C C -12.108 1.498 5.707 . . . 1.0 . . . . . . . . . . . . A . 28 GLU C . . . . . . . . . rr_1gw3 1 . 1 . 424 . 1 1 28 GLU CA C -11.652 1.450 7.146 . . . 1.0 . . . . . . . . . . . . A . 28 GLU CA . . . . . . . . . rr_1gw3 1 . 1 . 425 . 1 1 28 GLU CB C -11.335 2.874 7.689 . . . 1.0 . . . . . . . . . . . . A . 28 GLU CB . . . . . . . . . rr_1gw3 1 . 1 . 426 . 1 1 28 GLU CD C -12.732 5.131 7.565 . . . 1.0 . . . . . . . . . . . . A . 28 GLU CD . . . . . . . . . rr_1gw3 1 . 1 . 427 . 1 1 28 GLU CG C -12.537 3.744 8.183 . . . 1.0 . . . . . . . . . . . . A . 28 GLU CG . . . . . . . . . rr_1gw3 1 . 1 . 428 . 1 1 28 GLU H H -9.536 1.023 7.585 . . . 1.0 . . . . . . . . . . . . A . 28 GLU H . . . . . . . . . rr_1gw3 1 . 1 . 429 . 1 1 28 GLU HA H -12.470 1.010 7.744 . . . 1.0 . . . . . . . . . . . . A . 28 GLU HA . . . . . . . . . rr_1gw3 1 . 1 . 430 . 1 1 28 GLU HB2 H -10.592 2.784 8.506 . . . 1.0 . . . . . . . . . . . . A . 28 GLU HB2 . . . . . . . . . rr_1gw3 1 . 1 . 431 . 1 1 28 GLU HB3 H -10.802 3.431 6.895 . . . 1.0 . . . . . . . . . . . . A . 28 GLU HB3 . . . . . . . . . rr_1gw3 1 . 1 . 432 . 1 1 28 GLU HG2 H -13.483 3.192 8.031 . . . 1.0 . . . . . . . . . . . . A . 28 GLU HG2 . . . . . . . . . rr_1gw3 1 . 1 . 433 . 1 1 28 GLU HG3 H -12.479 3.888 9.278 . . . 1.0 . . . . . . . . . . . . A . 28 GLU HG3 . . . . . . . . . rr_1gw3 1 . 1 . 434 . 1 1 28 GLU N N -10.458 0.621 7.287 . . . 1.0 . . . . . . . . . . . . A . 28 GLU N . . . . . . . . . rr_1gw3 1 . 1 . 435 . 1 1 28 GLU O O -13.252 1.164 5.375 . . . 1.0 . . . . . . . . . . . . A . 28 GLU O . . . . . . . . . rr_1gw3 1 . 1 . 436 . 1 1 28 GLU OE1 O -12.872 5.113 6.210 . . . 1.0 . . . . . . . . . . . . A . 28 GLU OE1 . . . . . . . . . rr_1gw3 1 . 1 . 437 . 1 1 28 GLU OE2 O -12.760 6.159 8.229 . . . 1.0 . . . . . . . . . . . . A . 28 GLU OE2 . . . . . . . . . rr_1gw3 1 . 1 . 438 . 1 1 29 LEU C C -11.913 0.850 2.742 . . . 1.0 . . . . . . . . . . . . A . 29 LEU C . . . . . . . . . rr_1gw3 1 . 1 . 439 . 1 1 29 LEU CA C -11.571 2.153 3.426 . . . 1.0 . . . . . . . . . . . . A . 29 LEU CA . . . . . . . . . rr_1gw3 1 . 1 . 440 . 1 1 29 LEU CB C -10.413 2.881 2.685 . . . 1.0 . . . . . . . . . . . . A . 29 LEU CB . . . . . . . . . rr_1gw3 1 . 1 . 441 . 1 1 29 LEU CD1 C -8.510 4.587 2.984 . . . 1.0 . . . . . . . . . . . . A . 29 LEU CD1 . . . . . . . . . rr_1gw3 1 . 1 . 442 . 1 1 29 LEU CD2 C -10.837 5.365 2.447 . . . 1.0 . . . . . . . . . . . . A . 29 LEU CD2 . . . . . . . . . rr_1gw3 1 . 1 . 443 . 1 1 29 LEU CG C -10.008 4.297 3.175 . . . 1.0 . . . . . . . . . . . . A . 29 LEU CG . . . . . . . . . rr_1gw3 1 . 1 . 444 . 1 1 29 LEU H H -10.252 2.082 5.188 . . . 1.0 . . . . . . . . . . . . A . 29 LEU H . . . . . . . . . rr_1gw3 1 . 1 . 445 . 1 1 29 LEU HA H -12.484 2.774 3.384 . . . 1.0 . . . . . . . . . . . . A . 29 LEU HA . . . . . . . . . rr_1gw3 1 . 1 . 446 . 1 1 29 LEU HB2 H -9.511 2.236 2.717 . . . 1.0 . . . . . . . . . . . . A . 29 LEU HB2 . . . . . . . . . rr_1gw3 1 . 1 . 447 . 1 1 29 LEU HB3 H -10.670 2.946 1.610 . . . 1.0 . . . . . . . . . . . . A . 29 LEU HB3 . . . . . . . . . rr_1gw3 1 . 1 . 448 . 1 1 29 LEU HD11 H -7.888 3.766 3.388 . . . 1.0 . . . . . . . . . . . . A . 29 LEU HD11 . . . . . . . . . rr_1gw3 1 . 1 . 449 . 1 1 29 LEU HD12 H -8.239 4.677 1.915 . . . 1.0 . . . . . . . . . . . . A . 29 LEU HD12 . . . . . . . . . rr_1gw3 1 . 1 . 450 . 1 1 29 LEU HD13 H -8.194 5.518 3.490 . . . 1.0 . . . . . . . . . . . . A . 29 LEU HD13 . . . . . . . . . rr_1gw3 1 . 1 . 451 . 1 1 29 LEU HD21 H -11.923 5.166 2.526 . . . 1.0 . . . . . . . . . . . . A . 29 LEU HD21 . . . . . . . . . rr_1gw3 1 . 1 . 452 . 1 1 29 LEU HD22 H -10.661 6.380 2.850 . . . 1.0 . . . . . . . . . . . . A . 29 LEU HD22 . . . . . . . . . rr_1gw3 1 . 1 . 453 . 1 1 29 LEU HD23 H -10.601 5.397 1.367 . . . 1.0 . . . . . . . . . . . . A . 29 LEU HD23 . . . . . . . . . rr_1gw3 1 . 1 . 454 . 1 1 29 LEU HG H -10.239 4.367 4.258 . . . 1.0 . . . . . . . . . . . . A . 29 LEU HG . . . . . . . . . rr_1gw3 1 . 1 . 455 . 1 1 29 LEU N N -11.225 1.933 4.827 . . . 1.0 . . . . . . . . . . . . A . 29 LEU N . . . . . . . . . rr_1gw3 1 . 1 . 456 . 1 1 29 LEU O O -12.802 0.778 1.885 . . . 1.0 . . . . . . . . . . . . A . 29 LEU O . . . . . . . . . rr_1gw3 1 . 1 . 457 . 1 1 30 ARG C C -12.756 -2.035 2.612 . . . 1.0 . . . . . . . . . . . . A . 30 ARG C . . . . . . . . . rr_1gw3 1 . 1 . 458 . 1 1 30 ARG CA C -11.352 -1.500 2.450 . . . 1.0 . . . . . . . . . . . . A . 30 ARG CA . . . . . . . . . rr_1gw3 1 . 1 . 459 . 1 1 30 ARG CB C -10.302 -2.482 3.039 . . . 1.0 . . . . . . . . . . . . A . 30 ARG CB . . . . . . . . . rr_1gw3 1 . 1 . 460 . 1 1 30 ARG CD C -8.778 -1.372 1.294 . . . 1.0 . . . . . . . . . . . . A . 30 ARG CD . . . . . . . . . rr_1gw3 1 . 1 . 461 . 1 1 30 ARG CG C -8.950 -2.535 2.279 . . . 1.0 . . . . . . . . . . . . A . 30 ARG CG . . . . . . . . . rr_1gw3 1 . 1 . 462 . 1 1 30 ARG CZ C -6.542 -0.389 0.758 . . . 1.0 . . . . . . . . . . . . A . 30 ARG CZ . . . . . . . . . rr_1gw3 1 . 1 . 463 . 1 1 30 ARG H H -10.534 -0.056 3.897 . . . 1.0 . . . . . . . . . . . . A . 30 ARG H . . . . . . . . . rr_1gw3 1 . 1 . 464 . 1 1 30 ARG HA H -11.170 -1.364 1.367 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HA . . . . . . . . . rr_1gw3 1 . 1 . 465 . 1 1 30 ARG HB2 H -10.094 -2.216 4.096 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HB2 . . . . . . . . . rr_1gw3 1 . 1 . 466 . 1 1 30 ARG HB3 H -10.741 -3.501 3.093 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HB3 . . . . . . . . . rr_1gw3 1 . 1 . 467 . 1 1 30 ARG HD2 H -8.753 -1.750 0.251 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HD2 . . . . . . . . . rr_1gw3 1 . 1 . 468 . 1 1 30 ARG HD3 H -9.639 -0.676 1.365 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HD3 . . . . . . . . . rr_1gw3 1 . 1 . 469 . 1 1 30 ARG HE H -7.378 -0.364 2.595 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HE . . . . . . . . . rr_1gw3 1 . 1 . 470 . 1 1 30 ARG HG2 H -8.095 -2.522 2.986 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HG2 . . . . . . . . . rr_1gw3 1 . 1 . 471 . 1 1 30 ARG HG3 H -8.857 -3.497 1.734 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HG3 . . . . . . . . . rr_1gw3 1 . 1 . 472 . 1 1 30 ARG HH11 H -7.416 -1.204 -0.773 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HH11 . . . . . . . . . rr_1gw3 1 . 1 . 473 . 1 1 30 ARG HH12 H -5.760 -0.441 -1.064 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HH12 . . . . . . . . . rr_1gw3 1 . 1 . 474 . 1 1 30 ARG HH21 H -5.593 0.440 2.205 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HH21 . . . . . . . . . rr_1gw3 1 . 1 . 475 . 1 1 30 ARG HH22 H -4.765 0.454 0.551 . . . 1.0 . . . . . . . . . . . . A . 30 ARG HH22 . . . . . . . . . rr_1gw3 1 . 1 . 476 . 1 1 30 ARG N N -11.204 -0.203 3.104 . . . 1.0 . . . . . . . . . . . . A . 30 ARG N . . . . . . . . . rr_1gw3 1 . 1 . 477 . 1 1 30 ARG NE N -7.513 -0.666 1.619 . . . 1.0 . . . . . . . . . . . . A . 30 ARG NE . . . . . . . . . rr_1gw3 1 . 1 . 478 . 1 1 30 ARG NH1 N -6.566 -0.708 -0.502 . . . 1.0 . . . . . . . . . . . . A . 30 ARG NH1 . . . . . . . . . rr_1gw3 1 . 1 . 479 . 1 1 30 ARG NH2 N -5.512 0.237 1.207 . . . 1.0 . . . . . . . . . . . . A . 30 ARG NH2 . . . . . . . . . rr_1gw3 1 . 1 . 480 . 1 1 30 ARG O O -13.289 -2.732 1.738 . . . 1.0 . . . . . . . . . . . . A . 30 ARG O . . . . . . . . . rr_1gw3 1 . 1 . 481 . 1 1 31 GLN C C -15.743 -1.829 3.134 . . . 1.0 . . . . . . . . . . . . A . 31 GLN C . . . . . . . . . rr_1gw3 1 . 1 . 482 . 1 1 31 GLN CA C -14.673 -2.318 4.083 . . . 1.0 . . . . . . . . . . . . A . 31 GLN CA . . . . . . . . . rr_1gw3 1 . 1 . 483 . 1 1 31 GLN CB C -15.011 -1.943 5.543 . . . 1.0 . . . . . . . . . . . . A . 31 GLN CB . . . . . . . . . rr_1gw3 1 . 1 . 484 . 1 1 31 GLN CD C -17.193 -0.697 6.450 . . . 1.0 . . . . . . . . . . . . A . 31 GLN CD . . . . . . . . . rr_1gw3 1 . 1 . 485 . 1 1 31 GLN CG C -15.823 -0.625 5.764 . . . 1.0 . . . . . . . . . . . . A . 31 GLN CG . . . . . . . . . rr_1gw3 1 . 1 . 486 . 1 1 31 GLN H H -12.852 -1.124 4.407 . . . 1.0 . . . . . . . . . . . . A . 31 GLN H . . . . . . . . . rr_1gw3 1 . 1 . 487 . 1 1 31 GLN HA H -14.615 -3.418 3.982 . . . 1.0 . . . . . . . . . . . . A . 31 GLN HA . . . . . . . . . rr_1gw3 1 . 1 . 488 . 1 1 31 GLN HB2 H -15.572 -2.783 6.006 . . . 1.0 . . . . . . . . . . . . A . 31 GLN HB2 . . . . . . . . . rr_1gw3 1 . 1 . 489 . 1 1 31 GLN HB3 H -14.062 -1.882 6.120 . . . 1.0 . . . . . . . . . . . . A . 31 GLN HB3 . . . . . . . . . rr_1gw3 1 . 1 . 490 . 1 1 31 GLN HE21 H -17.642 1.143 5.899 . . . 1.0 . . . . . . . . . . . . A . 31 GLN HE21 . . . . . . . . . rr_1gw3 1 . 1 . 491 . 1 1 31 GLN HE22 H -18.888 0.206 6.896 . . . 1.0 . . . . . . . . . . . . A . 31 GLN HE22 . . . . . . . . . rr_1gw3 1 . 1 . 492 . 1 1 31 GLN HG2 H -15.211 0.108 6.325 . . . 1.0 . . . . . . . . . . . . A . 31 GLN HG2 . . . . . . . . . rr_1gw3 1 . 1 . 493 . 1 1 31 GLN HG3 H -16.025 -0.128 4.797 . . . 1.0 . . . . . . . . . . . . A . 31 GLN HG3 . . . . . . . . . rr_1gw3 1 . 1 . 494 . 1 1 31 GLN N N -13.371 -1.748 3.744 . . . 1.0 . . . . . . . . . . . . A . 31 GLN N . . . . . . . . . rr_1gw3 1 . 1 . 495 . 1 1 31 GLN NE2 N -17.988 0.343 6.432 . . . 1.0 . . . . . . . . . . . . A . 31 GLN NE2 . . . . . . . . . rr_1gw3 1 . 1 . 496 . 1 1 31 GLN O O -16.726 -2.524 2.850 . . . 1.0 . . . . . . . . . . . . A . 31 GLN O . . . . . . . . . rr_1gw3 1 . 1 . 497 . 1 1 31 GLN OE1 O -17.552 -1.704 7.038 . . . 1.0 . . . . . . . . . . . . A . 31 GLN OE1 . . . . . . . . . rr_1gw3 1 . 1 . 498 . 1 1 32 ARG C C -16.252 -0.759 0.263 . . . 1.0 . . . . . . . . . . . . A . 32 ARG C . . . . . . . . . rr_1gw3 1 . 1 . 499 . 1 1 32 ARG CA C -16.460 -0.085 1.599 . . . 1.0 . . . . . . . . . . . . A . 32 ARG CA . . . . . . . . . rr_1gw3 1 . 1 . 500 . 1 1 32 ARG CB C -16.235 1.449 1.501 . . . 1.0 . . . . . . . . . . . . A . 32 ARG CB . . . . . . . . . rr_1gw3 1 . 1 . 501 . 1 1 32 ARG CD C -15.411 3.272 -0.107 . . . 1.0 . . . . . . . . . . . . A . 32 ARG CD . . . . . . . . . rr_1gw3 1 . 1 . 502 . 1 1 32 ARG CG C -15.137 1.888 0.497 . . . 1.0 . . . . . . . . . . . . A . 32 ARG CG . . . . . . . . . rr_1gw3 1 . 1 . 503 . 1 1 32 ARG CZ C -15.390 4.743 1.914 . . . 1.0 . . . . . . . . . . . . A . 32 ARG CZ . . . . . . . . . rr_1gw3 1 . 1 . 504 . 1 1 32 ARG H H -14.758 -0.078 2.996 . . . 1.0 . . . . . . . . . . . . A . 32 ARG H . . . . . . . . . rr_1gw3 1 . 1 . 505 . 1 1 32 ARG HA H -17.500 -0.288 1.917 . . . 1.0 . . . . . . . . . . . . A . 32 ARG HA . . . . . . . . . rr_1gw3 1 . 1 . 506 . 1 1 32 ARG HB2 H -17.183 1.948 1.217 . . . 1.0 . . . . . . . . . . . . A . 32 ARG HB2 . . . . . . . . . rr_1gw3 1 . 1 . 507 . 1 1 32 ARG HB3 H -16.002 1.852 2.509 . . . 1.0 . . . . . . . . . . . . A . 32 ARG HB3 . . . . . . . . . rr_1gw3 1 . 1 . 508 . 1 1 32 ARG HD2 H -14.468 3.731 -0.467 . . . 1.0 . . . . . . . . . . . . A . 32 ARG HD2 . . . . . . . . . rr_1gw3 1 . 1 . 509 . 1 1 32 ARG HD3 H -16.083 3.183 -0.986 . . . 1.0 . . . . . . . . . . . . A . 32 ARG HD3 . . . . . . . . . rr_1gw3 1 . 1 . 510 . 1 1 32 ARG HE H -17.059 4.242 0.898 . . . 1.0 . . . . . . . . . . . . A . 32 ARG HE . . . . . . . . . rr_1gw3 1 . 1 . 511 . 1 1 32 ARG HG2 H -14.140 1.912 0.981 . . . 1.0 . . . . . . . . . . . . A . 32 ARG HG2 . . . . . . . . . rr_1gw3 1 . 1 . 512 . 1 1 32 ARG HG3 H -15.045 1.142 -0.319 . . . 1.0 . . . . . . . . . . . . A . 32 ARG HG3 . . . . . . . . . rr_1gw3 1 . 1 . 513 . 1 1 32 ARG HH11 H -13.628 4.105 1.404 . . . 1.0 . . . . . . . . . . . . A . 32 ARG HH11 . . . . . . . . . rr_1gw3 1 . 1 . 514 . 1 1 32 ARG HH12 H -13.722 5.206 2.883 . . . 1.0 . . . . . . . . . . . . A . 32 ARG HH12 . . . . . . . . . rr_1gw3 1 . 1 . 515 . 1 1 32 ARG HH21 H -17.083 5.428 2.503 . . . 1.0 . . . . . . . . . . . . A . 32 ARG HH21 . . . . . . . . . rr_1gw3 1 . 1 . 516 . 1 1 32 ARG HH22 H -15.597 5.929 3.485 . . . 1.0 . . . . . . . . . . . . A . 32 ARG HH22 . . . . . . . . . rr_1gw3 1 . 1 . 517 . 1 1 32 ARG N N -15.559 -0.632 2.609 . . . 1.0 . . . . . . . . . . . . A . 32 ARG N . . . . . . . . . rr_1gw3 1 . 1 . 518 . 1 1 32 ARG NE N -16.037 4.123 0.937 . . . 1.0 . . . . . . . . . . . . A . 32 ARG NE . . . . . . . . . rr_1gw3 1 . 1 . 519 . 1 1 32 ARG NH1 N -14.104 4.685 2.095 . . . 1.0 . . . . . . . . . . . . A . 32 ARG NH1 . . . . . . . . . rr_1gw3 1 . 1 . 520 . 1 1 32 ARG NH2 N -16.087 5.448 2.734 . . . 1.0 . . . . . . . . . . . . A . 32 ARG NH2 . . . . . . . . . rr_1gw3 1 . 1 . 521 . 1 1 32 ARG O O -17.199 -0.991 -0.501 . . . 1.0 . . . . . . . . . . . . A . 32 ARG O . . . . . . . . . rr_1gw3 1 . 1 . 522 . 1 1 33 LEU C C -14.611 -3.198 -1.242 . . . 1.0 . . . . . . . . . . . . A . 33 LEU C . . . . . . . . . rr_1gw3 1 . 1 . 523 . 1 1 33 LEU CA C -14.669 -1.689 -1.333 . . . 1.0 . . . . . . . . . . . . A . 33 LEU CA . . . . . . . . . rr_1gw3 1 . 1 . 524 . 1 1 33 LEU CB C -13.315 -1.127 -1.863 . . . 1.0 . . . . . . . . . . . . A . 33 LEU CB . . . . . . . . . rr_1gw3 1 . 1 . 525 . 1 1 33 LEU CD1 C -11.965 1.025 -2.272 . . . 1.0 . . . . . . . . . . . . A . 33 LEU CD1 . . . . . . . . . rr_1gw3 1 . 1 . 526 . 1 1 33 LEU CD2 C -13.646 0.241 -3.966 . . . 1.0 . . . . . . . . . . . . A . 33 LEU CD2 . . . . . . . . . rr_1gw3 1 . 1 . 527 . 1 1 33 LEU CG C -13.307 0.302 -2.470 . . . 1.0 . . . . . . . . . . . . A . 33 LEU CG . . . . . . . . . rr_1gw3 1 . 1 . 528 . 1 1 33 LEU H H -14.270 -0.775 0.629 . . . 1.0 . . . . . . . . . . . . A . 33 LEU H . . . . . . . . . rr_1gw3 1 . 1 . 529 . 1 1 33 LEU HA H -15.475 -1.458 -2.053 . . . 1.0 . . . . . . . . . . . . A . 33 LEU HA . . . . . . . . . rr_1gw3 1 . 1 . 530 . 1 1 33 LEU HB2 H -12.574 -1.155 -1.039 . . . 1.0 . . . . . . . . . . . . A . 33 LEU HB2 . . . . . . . . . rr_1gw3 1 . 1 . 531 . 1 1 33 LEU HB3 H -12.917 -1.829 -2.620 . . . 1.0 . . . . . . . . . . . . A . 33 LEU HB3 . . . . . . . . . rr_1gw3 1 . 1 . 532 . 1 1 33 LEU HD11 H -11.633 0.972 -1.218 . . . 1.0 . . . . . . . . . . . . A . 33 LEU HD11 . . . . . . . . . rr_1gw3 1 . 1 . 533 . 1 1 33 LEU HD12 H -11.156 0.566 -2.870 . . . 1.0 . . . . . . . . . . . . A . 33 LEU HD12 . . . . . . . . . rr_1gw3 1 . 1 . 534 . 1 1 33 LEU HD13 H -12.020 2.094 -2.546 . . . 1.0 . . . . . . . . . . . . A . 33 LEU HD13 . . . . . . . . . rr_1gw3 1 . 1 . 535 . 1 1 33 LEU HD21 H -14.587 -0.311 -4.153 . . . 1.0 . . . . . . . . . . . . A . 33 LEU HD21 . . . . . . . . . rr_1gw3 1 . 1 . 536 . 1 1 33 LEU HD22 H -13.764 1.248 -4.411 . . . 1.0 . . . . . . . . . . . . A . 33 LEU HD22 . . . . . . . . . rr_1gw3 1 . 1 . 537 . 1 1 33 LEU HD23 H -12.857 -0.279 -4.542 . . . 1.0 . . . . . . . . . . . . A . 33 LEU HD23 . . . . . . . . . rr_1gw3 1 . 1 . 538 . 1 1 33 LEU HG H -14.099 0.895 -1.967 . . . 1.0 . . . . . . . . . . . . A . 33 LEU HG . . . . . . . . . rr_1gw3 1 . 1 . 539 . 1 1 33 LEU N N -15.008 -1.059 -0.059 . . . 1.0 . . . . . . . . . . . . A . 33 LEU N . . . . . . . . . rr_1gw3 1 . 1 . 540 . 1 1 33 LEU O O -14.230 -3.877 -2.212 . . . 1.0 . . . . . . . . . . . . A . 33 LEU O . . . . . . . . . rr_1gw3 1 . 1 . 541 . 1 1 34 ALA C C -16.186 -5.908 -0.335 . . . 1.0 . . . . . . . . . . . . A . 34 ALA C . . . . . . . . . rr_1gw3 1 . 1 . 542 . 1 1 34 ALA CA C -14.918 -5.208 0.097 . . . 1.0 . . . . . . . . . . . . A . 34 ALA CA . . . . . . . . . rr_1gw3 1 . 1 . 543 . 1 1 34 ALA CB C -14.591 -5.437 1.583 . . . 1.0 . . . . . . . . . . . . A . 34 ALA CB . . . . . . . . . rr_1gw3 1 . 1 . 544 . 1 1 34 ALA H H -15.430 -3.131 0.598 . . . 1.0 . . . . . . . . . . . . A . 34 ALA H . . . . . . . . . rr_1gw3 1 . 1 . 545 . 1 1 34 ALA HA H -14.096 -5.604 -0.529 . . . 1.0 . . . . . . . . . . . . A . 34 ALA HA . . . . . . . . . rr_1gw3 1 . 1 . 546 . 1 1 34 ALA HB1 H -13.637 -4.957 1.873 . . . 1.0 . . . . . . . . . . . . A . 34 ALA HB1 . . . . . . . . . rr_1gw3 1 . 1 . 547 . 1 1 34 ALA HB2 H -15.375 -5.028 2.250 . . . 1.0 . . . . . . . . . . . . A . 34 ALA HB2 . . . . . . . . . rr_1gw3 1 . 1 . 548 . 1 1 34 ALA HB3 H -14.490 -6.512 1.821 . . . 1.0 . . . . . . . . . . . . A . 34 ALA HB3 . . . . . . . . . rr_1gw3 1 . 1 . 549 . 1 1 34 ALA N N -15.004 -3.765 -0.119 . . . 1.0 . . . . . . . . . . . . A . 34 ALA N . . . . . . . . . rr_1gw3 1 . 1 . 550 . 1 1 34 ALA O O -16.173 -7.085 -0.727 . . . 1.0 . . . . . . . . . . . . A . 34 ALA O . . . . . . . . . rr_1gw3 1 . 1 . 551 . 1 1 35 ALA C C -19.152 -5.422 -1.852 . . . 1.0 . . . . . . . . . . . . A . 35 ALA C . . . . . . . . . rr_1gw3 1 . 1 . 552 . 1 1 35 ALA CA C -18.613 -5.827 -0.500 . . . 1.0 . . . . . . . . . . . . A . 35 ALA CA . . . . . . . . . rr_1gw3 1 . 1 . 553 . 1 1 35 ALA CB C -19.545 -5.425 0.656 . . . 1.0 . . . . . . . . . . . . A . 35 ALA CB . . . . . . . . . rr_1gw3 1 . 1 . 554 . 1 1 35 ALA H H -17.218 -4.225 0.071 . . . 1.0 . . . . . . . . . . . . A . 35 ALA H . . . . . . . . . rr_1gw3 1 . 1 . 555 . 1 1 35 ALA HA H -18.493 -6.927 -0.513 . . . 1.0 . . . . . . . . . . . . A . 35 ALA HA . . . . . . . . . rr_1gw3 1 . 1 . 556 . 1 1 35 ALA HB1 H -19.159 -5.767 1.635 . . . 1.0 . . . . . . . . . . . . A . 35 ALA HB1 . . . . . . . . . rr_1gw3 1 . 1 . 557 . 1 1 35 ALA HB2 H -19.676 -4.327 0.725 . . . 1.0 . . . . . . . . . . . . A . 35 ALA HB2 . . . . . . . . . rr_1gw3 1 . 1 . 558 . 1 1 35 ALA HB3 H -20.554 -5.865 0.543 . . . 1.0 . . . . . . . . . . . . A . 35 ALA HB3 . . . . . . . . . rr_1gw3 1 . 1 . 559 . 1 1 35 ALA N N -17.308 -5.221 -0.244 . . . 1.0 . . . . . . . . . . . . A . 35 ALA N . . . . . . . . . rr_1gw3 1 . 1 . 560 . 1 1 35 ALA O O -19.935 -6.147 -2.481 . . . 1.0 . . . . . . . . . . . . A . 35 ALA O . . . . . . . . . rr_1gw3 1 . 1 . 561 . 1 1 36 ARG C C -18.616 -4.613 -4.733 . . . 1.0 . . . . . . . . . . . . A . 36 ARG C . . . . . . . . . rr_1gw3 1 . 1 . 562 . 1 1 36 ARG CA C -19.187 -3.757 -3.627 . . . 1.0 . . . . . . . . . . . . A . 36 ARG CA . . . . . . . . . rr_1gw3 1 . 1 . 563 . 1 1 36 ARG CB C -18.742 -2.275 -3.776 . . . 1.0 . . . . . . . . . . . . A . 36 ARG CB . . . . . . . . . rr_1gw3 1 . 1 . 564 . 1 1 36 ARG CD C -20.256 -1.636 -1.804 . . . 1.0 . . . . . . . . . . . . A . 36 ARG CD . . . . . . . . . rr_1gw3 1 . 1 . 565 . 1 1 36 ARG CG C -19.728 -1.232 -3.186 . . . 1.0 . . . . . . . . . . . . A . 36 ARG CG . . . . . . . . . rr_1gw3 1 . 1 . 566 . 1 1 36 ARG CZ C -21.565 0.270 -0.851 . . . 1.0 . . . . . . . . . . . . A . 36 ARG CZ . . . . . . . . . rr_1gw3 1 . 1 . 567 . 1 1 36 ARG H H -18.198 -3.657 -1.663 . . . 1.0 . . . . . . . . . . . . A . 36 ARG H . . . . . . . . . rr_1gw3 1 . 1 . 568 . 1 1 36 ARG HA H -20.290 -3.824 -3.688 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HA . . . . . . . . . rr_1gw3 1 . 1 . 569 . 1 1 36 ARG HB2 H -17.754 -2.134 -3.295 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HB2 . . . . . . . . . rr_1gw3 1 . 1 . 570 . 1 1 36 ARG HB3 H -18.562 -2.053 -4.849 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HB3 . . . . . . . . . rr_1gw3 1 . 1 . 571 . 1 1 36 ARG HD2 H -21.221 -2.174 -1.899 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HD2 . . . . . . . . . rr_1gw3 1 . 1 . 572 . 1 1 36 ARG HD3 H -19.547 -2.329 -1.307 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HD3 . . . . . . . . . rr_1gw3 1 . 1 . 573 . 1 1 36 ARG HE H -19.605 -0.051 -0.491 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HE . . . . . . . . . rr_1gw3 1 . 1 . 574 . 1 1 36 ARG HG2 H -19.248 -0.237 -3.099 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HG2 . . . . . . . . . rr_1gw3 1 . 1 . 575 . 1 1 36 ARG HG3 H -20.582 -1.081 -3.878 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HG3 . . . . . . . . . rr_1gw3 1 . 1 . 576 . 1 1 36 ARG HH11 H -22.603 -0.852 -2.050 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HH11 . . . . . . . . . rr_1gw3 1 . 1 . 577 . 1 1 36 ARG HH12 H -23.507 0.503 -1.182 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HH12 . . . . . . . . . rr_1gw3 1 . 1 . 578 . 1 1 36 ARG HH21 H -20.617 1.481 0.295 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HH21 . . . . . . . . . rr_1gw3 1 . 1 . 579 . 1 1 36 ARG HH22 H -22.411 1.834 0.018 . . . 1.0 . . . . . . . . . . . . A . 36 ARG HH22 . . . . . . . . . rr_1gw3 1 . 1 . 580 . 1 1 36 ARG N N -18.774 -4.245 -2.313 . . . 1.0 . . . . . . . . . . . . A . 36 ARG N . . . . . . . . . rr_1gw3 1 . 1 . 581 . 1 1 36 ARG NE N -20.433 -0.406 -0.991 . . . 1.0 . . . . . . . . . . . . A . 36 ARG NE . . . . . . . . . rr_1gw3 1 . 1 . 582 . 1 1 36 ARG NH1 N -22.688 -0.054 -1.420 . . . 1.0 . . . . . . . . . . . . A . 36 ARG NH1 . . . . . . . . . rr_1gw3 1 . 1 . 583 . 1 1 36 ARG NH2 N -21.544 1.314 -0.100 . . . 1.0 . . . . . . . . . . . . A . 36 ARG NH2 . . . . . . . . . rr_1gw3 1 . 1 . 584 . 1 1 36 ARG O O -19.251 -4.847 -5.769 . . . 1.0 . . . . . . . . . . . . A . 36 ARG O . . . . . . . . . rr_1gw3 1 . 1 . 585 . 1 1 37 LEU C C -16.859 -7.290 -5.511 . . . 1.0 . . . . . . . . . . . . A . 37 LEU C . . . . . . . . . rr_1gw3 1 . 1 . 586 . 1 1 37 LEU CA C -16.662 -5.794 -5.580 . . . 1.0 . . . . . . . . . . . . A . 37 LEU CA . . . . . . . . . rr_1gw3 1 . 1 . 587 . 1 1 37 LEU CB C -15.149 -5.435 -5.496 . . . 1.0 . . . . . . . . . . . . A . 37 LEU CB . . . . . . . . . rr_1gw3 1 . 1 . 588 . 1 1 37 LEU CD1 C -13.896 -3.346 -6.325 . . . 1.0 . . . . . . . . . . . . A . 37 LEU CD1 . . . . . . . . . rr_1gw3 1 . 1 . 589 . 1 1 37 LEU CD2 C -13.411 -5.597 -7.328 . . . 1.0 . . . . . . . . . . . . A . 37 LEU CD2 . . . . . . . . . rr_1gw3 1 . 1 . 590 . 1 1 37 LEU CG C -14.498 -4.710 -6.704 . . . 1.0 . . . . . . . . . . . . A . 37 LEU CG . . . . . . . . . rr_1gw3 1 . 1 . 591 . 1 1 37 LEU H H -16.990 -4.922 -3.585 . . . 1.0 . . . . . . . . . . . . A . 37 LEU H . . . . . . . . . rr_1gw3 1 . 1 . 592 . 1 1 37 LEU HA H -17.064 -5.475 -6.559 . . . 1.0 . . . . . . . . . . . . A . 37 LEU HA . . . . . . . . . rr_1gw3 1 . 1 . 593 . 1 1 37 LEU HB2 H -14.983 -4.813 -4.591 . . . 1.0 . . . . . . . . . . . . A . 37 LEU HB2 . . . . . . . . . rr_1gw3 1 . 1 . 594 . 1 1 37 LEU HB3 H -14.579 -6.364 -5.300 . . . 1.0 . . . . . . . . . . . . A . 37 LEU HB3 . . . . . . . . . rr_1gw3 1 . 1 . 595 . 1 1 37 LEU HD11 H -14.621 -2.733 -5.758 . . . 1.0 . . . . . . . . . . . . A . 37 LEU HD11 . . . . . . . . . rr_1gw3 1 . 1 . 596 . 1 1 37 LEU HD12 H -13.010 -3.452 -5.673 . . . 1.0 . . . . . . . . . . . . A . 37 LEU HD12 . . . . . . . . . rr_1gw3 1 . 1 . 597 . 1 1 37 LEU HD13 H -13.593 -2.761 -7.212 . . . 1.0 . . . . . . . . . . . . A . 37 LEU HD13 . . . . . . . . . rr_1gw3 1 . 1 . 598 . 1 1 37 LEU HD21 H -13.796 -6.605 -7.576 . . . 1.0 . . . . . . . . . . . . A . 37 LEU HD21 . . . . . . . . . rr_1gw3 1 . 1 . 599 . 1 1 37 LEU HD22 H -13.001 -5.166 -8.261 . . . 1.0 . . . . . . . . . . . . A . 37 LEU HD22 . . . . . . . . . rr_1gw3 1 . 1 . 600 . 1 1 37 LEU HD23 H -12.560 -5.747 -6.637 . . . 1.0 . . . . . . . . . . . . A . 37 LEU HD23 . . . . . . . . . rr_1gw3 1 . 1 . 601 . 1 1 37 LEU HG H -15.282 -4.542 -7.471 . . . 1.0 . . . . . . . . . . . . A . 37 LEU HG . . . . . . . . . rr_1gw3 1 . 1 . 602 . 1 1 37 LEU N N -17.407 -5.104 -4.531 . . . 1.0 . . . . . . . . . . . . A . 37 LEU N . . . . . . . . . rr_1gw3 1 . 1 . 603 . 1 1 37 LEU O O -15.943 -8.078 -5.782 . . . 1.0 . . . . . . . . . . . . A . 37 LEU O . . . . . . . . . rr_1gw3 1 . 1 . 604 . 1 1 38 GLU C C -19.824 -9.284 -5.834 . . . 1.0 . . . . . . . . . . . . A . 38 GLU C . . . . . . . . . rr_1gw3 1 . 1 . 605 . 1 1 38 GLU CA C -18.438 -9.124 -5.254 . . . 1.0 . . . . . . . . . . . . A . 38 GLU CA . . . . . . . . . rr_1gw3 1 . 1 . 606 . 1 1 38 GLU CB C -18.349 -9.735 -3.827 . . . 1.0 . . . . . . . . . . . . A . 38 GLU CB . . . . . . . . . rr_1gw3 1 . 1 . 607 . 1 1 38 GLU CD C -16.854 -11.903 -3.468 . . . 1.0 . . . . . . . . . . . . A . 38 GLU CD . . . . . . . . . rr_1gw3 1 . 1 . 608 . 1 1 38 GLU CG C -16.987 -10.380 -3.407 . . . 1.0 . . . . . . . . . . . . A . 38 GLU CG . . . . . . . . . rr_1gw3 1 . 1 . 609 . 1 1 38 GLU H H -18.724 -6.986 -4.813 . . . 1.0 . . . . . . . . . . . . A . 38 GLU H . . . . . . . . . rr_1gw3 1 . 1 . 610 . 1 1 38 GLU HA H -17.730 -9.645 -5.925 . . . 1.0 . . . . . . . . . . . . A . 38 GLU HA . . . . . . . . . rr_1gw3 1 . 1 . 611 . 1 1 38 GLU HB2 H -18.607 -8.952 -3.088 . . . 1.0 . . . . . . . . . . . . A . 38 GLU HB2 . . . . . . . . . rr_1gw3 1 . 1 . 612 . 1 1 38 GLU HB3 H -19.153 -10.489 -3.714 . . . 1.0 . . . . . . . . . . . . A . 38 GLU HB3 . . . . . . . . . rr_1gw3 1 . 1 . 613 . 1 1 38 GLU HG2 H -16.171 -9.964 -4.028 . . . 1.0 . . . . . . . . . . . . A . 38 GLU HG2 . . . . . . . . . rr_1gw3 1 . 1 . 614 . 1 1 38 GLU HG3 H -16.723 -10.077 -2.376 . . . 1.0 . . . . . . . . . . . . A . 38 GLU HG3 . . . . . . . . . rr_1gw3 1 . 1 . 615 . 1 1 38 GLU N N -18.064 -7.714 -5.179 . . . 1.0 . . . . . . . . . . . . A . 38 GLU N . . . . . . . . . rr_1gw3 1 . 1 . 616 . 1 1 38 GLU O O -20.608 -10.146 -5.422 . . . 1.0 . . . . . . . . . . . . A . 38 GLU O . . . . . . . . . rr_1gw3 1 . 1 . 617 . 1 1 38 GLU OE1 O -16.673 -12.515 -4.512 . . . 1.0 . . . . . . . . . . . . A . 38 GLU OE1 . . . . . . . . . rr_1gw3 1 . 1 . 618 . 1 1 38 GLU OE2 O -16.956 -12.511 -2.253 . . . 1.0 . . . . . . . . . . . . A . 38 GLU OE2 . . . . . . . . . rr_1gw3 1 . 1 . 619 . 1 1 39 ALA C C -21.514 -7.655 -8.670 . . . 1.0 . . . . . . . . . . . . A . 39 ALA C . . . . . . . . . rr_1gw3 1 . 1 . 620 . 1 1 39 ALA CA C -21.506 -8.383 -7.345 . . . 1.0 . . . . . . . . . . . . A . 39 ALA CA . . . . . . . . . rr_1gw3 1 . 1 . 621 . 1 1 39 ALA CB C -22.426 -7.728 -6.300 . . . 1.0 . . . . . . . . . . . . A . 39 ALA CB . . . . . . . . . rr_1gw3 1 . 1 . 622 . 1 1 39 ALA H H -19.400 -7.784 -7.110 . . . 1.0 . . . . . . . . . . . . A . 39 ALA H . . . . . . . . . rr_1gw3 1 . 1 . 623 . 1 1 39 ALA HA H -21.845 -9.418 -7.538 . . . 1.0 . . . . . . . . . . . . A . 39 ALA HA . . . . . . . . . rr_1gw3 1 . 1 . 624 . 1 1 39 ALA HB1 H -22.437 -8.295 -5.350 . . . 1.0 . . . . . . . . . . . . A . 39 ALA HB1 . . . . . . . . . rr_1gw3 1 . 1 . 625 . 1 1 39 ALA HB2 H -22.110 -6.695 -6.057 . . . 1.0 . . . . . . . . . . . . A . 39 ALA HB2 . . . . . . . . . rr_1gw3 1 . 1 . 626 . 1 1 39 ALA HB3 H -23.473 -7.675 -6.649 . . . 1.0 . . . . . . . . . . . . A . 39 ALA HB3 . . . . . . . . . rr_1gw3 1 . 1 . 627 . 1 1 39 ALA N N -20.159 -8.430 -6.783 . . . 1.0 . . . . . . . . . . . . A . 39 ALA N . . . . . . . . . rr_1gw3 1 . 1 . 628 . 1 1 39 ALA O O -21.991 -8.165 -9.690 . . . 1.0 . . . . . . . . . . . . A . 39 ALA O . . . . . . . . . rr_1gw3 1 . 1 . 629 . 1 1 40 LEU C C -20.330 -6.168 -11.020 . . . 1.0 . . . . . . . . . . . . A . 40 LEU C . . . . . . . . . rr_1gw3 1 . 1 . 630 . 1 1 40 LEU CA C -21.061 -5.571 -9.840 . . . 1.0 . . . . . . . . . . . . A . 40 LEU CA . . . . . . . . . rr_1gw3 1 . 1 . 631 . 1 1 40 LEU CB C -20.504 -4.159 -9.500 . . . 1.0 . . . . . . . . . . . . A . 40 LEU CB . . . . . . . . . rr_1gw3 1 . 1 . 632 . 1 1 40 LEU CD1 C -21.676 -2.264 -10.786 . . . 1.0 . . . . . . . . . . . . A . 40 LEU CD1 . . . . . . . . . rr_1gw3 1 . 1 . 633 . 1 1 40 LEU CD2 C -19.191 -2.201 -10.423 . . . 1.0 . . . . . . . . . . . . A . 40 LEU CD2 . . . . . . . . . rr_1gw3 1 . 1 . 634 . 1 1 40 LEU CG C -20.404 -3.116 -10.645 . . . 1.0 . . . . . . . . . . . . A . 40 LEU CG . . . . . . . . . rr_1gw3 1 . 1 . 635 . 1 1 40 LEU H H -20.489 -6.158 -7.796 . . . 1.0 . . . . . . . . . . . . A . 40 LEU H . . . . . . . . . rr_1gw3 1 . 1 . 636 . 1 1 40 LEU HA H -22.121 -5.486 -10.142 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HA . . . . . . . . . rr_1gw3 1 . 1 . 637 . 1 1 40 LEU HB2 H -21.119 -3.721 -8.688 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HB2 . . . . . . . . . rr_1gw3 1 . 1 . 638 . 1 1 40 LEU HB3 H -19.498 -4.278 -9.051 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HB3 . . . . . . . . . rr_1gw3 1 . 1 . 639 . 1 1 40 LEU HD11 H -22.581 -2.899 -10.820 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD11 . . . . . . . . . rr_1gw3 1 . 1 . 640 . 1 1 40 LEU HD12 H -21.814 -1.582 -9.927 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD12 . . . . . . . . . rr_1gw3 1 . 1 . 641 . 1 1 40 LEU HD13 H -21.671 -1.650 -11.705 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD13 . . . . . . . . . rr_1gw3 1 . 1 . 642 . 1 1 40 LEU HD21 H -18.260 -2.781 -10.274 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD21 . . . . . . . . . rr_1gw3 1 . 1 . 643 . 1 1 40 LEU HD22 H -19.018 -1.518 -11.276 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD22 . . . . . . . . . rr_1gw3 1 . 1 . 644 . 1 1 40 LEU HD23 H -19.316 -1.571 -9.522 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HD23 . . . . . . . . . rr_1gw3 1 . 1 . 645 . 1 1 40 LEU HG H -20.246 -3.664 -11.598 . . . 1.0 . . . . . . . . . . . . A . 40 LEU HG . . . . . . . . . rr_1gw3 1 . 1 . 646 . 1 1 40 LEU N N -20.981 -6.448 -8.676 . . . 1.0 . . . . . . . . . . . . A . 40 LEU N . . . . . . . . . rr_1gw3 1 . 1 . 647 . 1 1 40 LEU O O -20.922 -6.518 -12.048 . . . 1.0 . . . . . . . . . . . . A . 40 LEU O . . . . . . . . . rr_1gw3 1 . 1 . 648 . 1 1 41 LYS C C -18.000 -8.209 -12.054 . . . 1.0 . . . . . . . . . . . . A . 41 LYS C . . . . . . . . . rr_1gw3 1 . 1 . 649 . 1 1 41 LYS CA C -18.165 -6.708 -11.995 . . . 1.0 . . . . . . . . . . . . A . 41 LYS CA . . . . . . . . . rr_1gw3 1 . 1 . 650 . 1 1 41 LYS CB C -16.785 -6.006 -11.855 . . . 1.0 . . . . . . . . . . . . A . 41 LYS CB . . . . . . . . . rr_1gw3 1 . 1 . 651 . 1 1 41 LYS CD C -14.985 -5.766 -10.001 . . . 1.0 . . . . . . . . . . . . A . 41 LYS CD . . . . . . . . . rr_1gw3 1 . 1 . 652 . 1 1 41 LYS CE C -13.927 -5.093 -10.885 . . . 1.0 . . . . . . . . . . . . A . 41 LYS CE . . . . . . . . . rr_1gw3 1 . 1 . 653 . 1 1 41 LYS CG C -15.833 -6.710 -10.858 . . . 1.0 . . . . . . . . . . . . A . 41 LYS CG . . . . . . . . . rr_1gw3 1 . 1 . 654 . 1 1 41 LYS H H -18.638 -6.109 -9.930 . . . 1.0 . . . . . . . . . . . . A . 41 LYS H . . . . . . . . . rr_1gw3 1 . 1 . 655 . 1 1 41 LYS HA H -18.647 -6.392 -12.939 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HA . . . . . . . . . rr_1gw3 1 . 1 . 656 . 1 1 41 LYS HB2 H -16.294 -5.949 -12.847 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HB2 . . . . . . . . . rr_1gw3 1 . 1 . 657 . 1 1 41 LYS HB3 H -16.935 -4.949 -11.551 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HB3 . . . . . . . . . rr_1gw3 1 . 1 . 658 . 1 1 41 LYS HD2 H -15.638 -5.018 -9.510 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HD2 . . . . . . . . . rr_1gw3 1 . 1 . 659 . 1 1 41 LYS HD3 H -14.496 -6.337 -9.185 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HD3 . . . . . . . . . rr_1gw3 1 . 1 . 660 . 1 1 41 LYS HE2 H -14.285 -5.024 -11.934 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HE2 . . . . . . . . . rr_1gw3 1 . 1 . 661 . 1 1 41 LYS HE3 H -13.740 -4.048 -10.561 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HE3 . . . . . . . . . rr_1gw3 1 . 1 . 662 . 1 1 41 LYS HG2 H -16.412 -7.336 -10.152 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HG2 . . . . . . . . . rr_1gw3 1 . 1 . 663 . 1 1 41 LYS HG3 H -15.176 -7.415 -11.406 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HG3 . . . . . . . . . rr_1gw3 1 . 1 . 664 . 1 1 41 LYS HZ1 H -12.798 -6.674 -10.198 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HZ1 . . . . . . . . . rr_1gw3 1 . 1 . 665 . 1 1 41 LYS HZ2 H -12.418 -6.188 -11.763 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HZ2 . . . . . . . . . rr_1gw3 1 . 1 . 666 . 1 1 41 LYS HZ3 H -11.920 -5.262 -10.450 . . . 1.0 . . . . . . . . . . . . A . 41 LYS HZ3 . . . . . . . . . rr_1gw3 1 . 1 . 667 . 1 1 41 LYS N N -19.025 -6.310 -10.884 . . . 1.0 . . . . . . . . . . . . A . 41 LYS N . . . . . . . . . rr_1gw3 1 . 1 . 668 . 1 1 41 LYS NZ N -12.672 -5.862 -10.819 . . . 1.0 . . . . . . . . . . . . A . 41 LYS NZ . . . . . . . . . rr_1gw3 1 . 1 . 669 . 1 1 41 LYS O O -17.660 -8.781 -13.100 . . . 1.0 . . . . . . . . . . . . A . 41 LYS O . . . . . . . . . rr_1gw3 1 . 1 . 670 . 1 1 42 GLU C C -16.916 -10.926 -11.294 . . . 1.0 . . . . . . . . . . . . A . 42 GLU C . . . . . . . . . rr_1gw3 1 . 1 . 671 . 1 1 42 GLU CA C -18.249 -10.334 -10.899 . . . 1.0 . . . . . . . . . . . . A . 42 GLU CA . . . . . . . . . rr_1gw3 1 . 1 . 672 . 1 1 42 GLU CB C -19.384 -10.815 -11.847 . . . 1.0 . . . . . . . . . . . . A . 42 GLU CB . . . . . . . . . rr_1gw3 1 . 1 . 673 . 1 1 42 GLU CD C -21.544 -10.877 -10.299 . . . 1.0 . . . . . . . . . . . . A . 42 GLU CD . . . . . . . . . rr_1gw3 1 . 1 . 674 . 1 1 42 GLU CG C -20.836 -10.320 -11.536 . . . 1.0 . . . . . . . . . . . . A . 42 GLU CG . . . . . . . . . rr_1gw3 1 . 1 . 675 . 1 1 42 GLU H H -18.268 -8.292 -10.061 . . . 1.0 . . . . . . . . . . . . A . 42 GLU H . . . . . . . . . rr_1gw3 1 . 1 . 676 . 1 1 42 GLU HA H -18.468 -10.663 -9.866 . . . 1.0 . . . . . . . . . . . . A . 42 GLU HA . . . . . . . . . rr_1gw3 1 . 1 . 677 . 1 1 42 GLU HB2 H -19.132 -10.523 -12.885 . . . 1.0 . . . . . . . . . . . . A . 42 GLU HB2 . . . . . . . . . rr_1gw3 1 . 1 . 678 . 1 1 42 GLU HB3 H -19.380 -11.923 -11.870 . . . 1.0 . . . . . . . . . . . . A . 42 GLU HB3 . . . . . . . . . rr_1gw3 1 . 1 . 679 . 1 1 42 GLU HG2 H -20.840 -9.218 -11.436 . . . 1.0 . . . . . . . . . . . . A . 42 GLU HG2 . . . . . . . . . rr_1gw3 1 . 1 . 680 . 1 1 42 GLU HG3 H -21.499 -10.516 -12.399 . . . 1.0 . . . . . . . . . . . . A . 42 GLU HG3 . . . . . . . . . rr_1gw3 1 . 1 . 681 . 1 1 42 GLU N N -18.200 -8.875 -10.932 . . . 1.0 . . . . . . . . . . . . A . 42 GLU N . . . . . . . . . rr_1gw3 1 . 1 . 682 . 1 1 42 GLU O O -16.694 -11.327 -12.443 . . . 1.0 . . . . . . . . . . . . A . 42 GLU O . . . . . . . . . rr_1gw3 1 . 1 . 683 . 1 1 42 GLU OE1 O -20.942 -11.345 -9.341 . . . 1.0 . . . . . . . . . . . . A . 42 GLU OE1 . . . . . . . . . rr_1gw3 1 . 1 . 684 . 1 1 42 GLU OE2 O -22.902 -10.805 -10.365 . . . 1.0 . . . . . . . . . . . . A . 42 GLU OE2 . . . . . . . . . rr_1gw3 1 . 1 . 685 . 1 1 43 ASN C C -14.867 -13.007 -11.081 . . . 1.0 . . . . . . . . . . . . A . 43 ASN C . . . . . . . . . rr_1gw3 1 . 1 . 686 . 1 1 43 ASN CA C -14.697 -11.600 -10.557 . . . 1.0 . . . . . . . . . . . . A . 43 ASN CA . . . . . . . . . rr_1gw3 1 . 1 . 687 . 1 1 43 ASN CB C -13.898 -11.604 -9.221 . . . 1.0 . . . . . . . . . . . . A . 43 ASN CB . . . . . . . . . rr_1gw3 1 . 1 . 688 . 1 1 43 ASN CG C -12.390 -11.861 -9.314 . . . 1.0 . . . . . . . . . . . . A . 43 ASN CG . . . . . . . . . rr_1gw3 1 . 1 . 689 . 1 1 43 ASN H H -16.231 -10.460 -9.459 . . . 1.0 . . . . . . . . . . . . A . 43 ASN H . . . . . . . . . rr_1gw3 1 . 1 . 690 . 1 1 43 ASN HA H -14.144 -11.030 -11.326 . . . 1.0 . . . . . . . . . . . . A . 43 ASN HA . . . . . . . . . rr_1gw3 1 . 1 . 691 . 1 1 43 ASN HB2 H -14.023 -10.627 -8.715 . . . 1.0 . . . . . . . . . . . . A . 43 ASN HB2 . . . . . . . . . rr_1gw3 1 . 1 . 692 . 1 1 43 ASN HB3 H -14.331 -12.335 -8.515 . . . 1.0 . . . . . . . . . . . . A . 43 ASN HB3 . . . . . . . . . rr_1gw3 1 . 1 . 693 . 1 1 43 ASN HD21 H -12.369 -12.740 -7.529 . . . 1.0 . . . . . . . . . . . . A . 43 ASN HD21 . . . . . . . . . rr_1gw3 1 . 1 . 694 . 1 1 43 ASN HD22 H -10.786 -12.553 -8.463 . . . 1.0 . . . . . . . . . . . . A . 43 ASN HD22 . . . . . . . . . rr_1gw3 1 . 1 . 695 . 1 1 43 ASN N N -15.993 -10.961 -10.350 . . . 1.0 . . . . . . . . . . . . A . 43 ASN N . . . . . . . . . rr_1gw3 1 . 1 . 696 . 1 1 43 ASN ND2 N -11.802 -12.507 -8.344 . . . 1.0 . . . . . . . . . . . . A . 43 ASN ND2 . . . . . . . . . rr_1gw3 1 . 1 . 697 . 1 1 43 ASN O O -14.205 -13.431 -12.036 . . . 1.0 . . . . . . . . . . . . A . 43 ASN O . . . . . . . . . rr_1gw3 1 . 1 . 698 . 1 1 43 ASN OD1 O -11.720 -11.484 -10.264 . . . 1.0 . . . . . . . . . . . . A . 43 ASN OD1 . . . . . . . . . rr_1gw3 1 . 1 . 699 . 1 1 44 GLY C C -17.287 -15.232 -11.645 . . . 1.0 . . . . . . . . . . . . A . 44 GLY C . . . . . . . . . rr_1gw3 1 . 1 . 700 . 1 1 44 GLY CA C -16.006 -15.144 -10.848 . . . 1.0 . . . . . . . . . . . . A . 44 GLY CA . . . . . . . . . rr_1gw3 1 . 1 . 701 . 1 1 44 GLY H H -16.189 -13.340 -9.598 . . . 1.0 . . . . . . . . . . . . A . 44 GLY H . . . . . . . . . rr_1gw3 1 . 1 . 702 . 1 1 44 GLY HA2 H -15.171 -15.533 -11.459 . . . 1.0 . . . . . . . . . . . . A . 44 GLY HA2 . . . . . . . . . rr_1gw3 1 . 1 . 703 . 1 1 44 GLY HA3 H -16.087 -15.796 -9.960 . . . 1.0 . . . . . . . . . . . . A . 44 GLY HA3 . . . . . . . . . rr_1gw3 1 . 1 . 704 . 1 1 44 GLY N N -15.737 -13.767 -10.442 . . . 1.0 . . . . . . . . . . . . A . 44 GLY N . . . . . . . . . rr_1gw3 1 . 1 . 705 . 1 1 44 GLY O O -17.413 -14.667 -12.738 . . . 1.0 . . . . . . . . . . . . A . 44 GLY O . . . . . . . . . rr_1gw3 1 . 1 . 706 . 1 1 45 GLY C C -19.627 -17.394 -12.563 . . . 1.0 . . . . . . . . . . . . A . 45 GLY C . . . . . . . . . rr_1gw3 1 . 1 . 707 . 1 1 45 GLY CA C -19.551 -16.111 -11.768 . . . 1.0 . . . . . . . . . . . . A . 45 GLY CA . . . . . . . . . rr_1gw3 1 . 1 . 708 . 1 1 45 GLY H H -18.009 -16.484 -10.241 . . . 1.0 . . . . . . . . . . . . A . 45 GLY H . . . . . . . . . rr_1gw3 1 . 1 . 709 . 1 1 45 GLY HA2 H -20.355 -16.106 -11.009 . . . 1.0 . . . . . . . . . . . . A . 45 GLY HA2 . . . . . . . . . rr_1gw3 1 . 1 . 710 . 1 1 45 GLY HA3 H -19.739 -15.255 -12.442 . . . 1.0 . . . . . . . . . . . . A . 45 GLY HA3 . . . . . . . . . rr_1gw3 1 . 1 . 711 . 1 1 45 GLY N N -18.248 -15.971 -11.124 . . . 1.0 . . . . . . . . . . . . A . 45 GLY N . . . . . . . . . rr_1gw3 1 . 1 . 712 . 1 1 45 GLY O O -18.788 -18.292 -12.432 . . . 1.0 . . . . . . . . . . . . A . 45 GLY O . . . . . . . . . rr_1gw3 1 . 1 . 713 . 1 1 46 ALA C C -20.404 -18.623 -15.574 . . . 1.0 . . . . . . . . . . . . A . 46 ALA C . . . . . . . . . rr_1gw3 1 . 1 . 714 . 1 1 46 ALA CA C -20.900 -18.725 -14.152 . . . 1.0 . . . . . . . . . . . . A . 46 ALA CA . . . . . . . . . rr_1gw3 1 . 1 . 715 . 1 1 46 ALA CB C -22.412 -18.998 -14.066 . . . 1.0 . . . . . . . . . . . . A . 46 ALA CB . . . . . . . . . rr_1gw3 1 . 1 . 716 . 1 1 46 ALA H H -21.215 -16.633 -13.541 . . . 1.0 . . . . . . . . . . . . A . 46 ALA H . . . . . . . . . rr_1gw3 1 . 1 . 717 . 1 1 46 ALA HA H -20.348 -19.553 -13.670 . . . 1.0 . . . . . . . . . . . . A . 46 ALA HA . . . . . . . . . rr_1gw3 1 . 1 . 718 . 1 1 46 ALA HB1 H -22.826 -18.743 -13.071 . . . 1.0 . . . . . . . . . . . . A . 46 ALA HB1 . . . . . . . . . rr_1gw3 1 . 1 . 719 . 1 1 46 ALA HB2 H -22.979 -18.413 -14.814 . . . 1.0 . . . . . . . . . . . . A . 46 ALA HB2 . . . . . . . . . rr_1gw3 1 . 1 . 720 . 1 1 46 ALA HB3 H -22.648 -20.063 -14.252 . . . 1.0 . . . . . . . . . . . . A . 46 ALA HB3 . . . . . . . . . rr_1gw3 1 . 1 . 721 . 1 1 46 ALA N N -20.631 -17.494 -13.414 . . . 1.0 . . . . . . . . . . . . A . 46 ALA N . . . . . . . . . rr_1gw3 1 . 1 . 722 . 1 1 46 ALA O O -21.093 -18.077 -16.490 . . . 1.0 . . . . . . . . . . . . A . 46 ALA O . . . . . . . . . rr_1gw3 1 . 1 . 723 . 1 1 46 ALA OXT O -19.257 -19.121 -15.801 . . . 1.0 . . . . . . . . . . . . A . 46 ALA OXT . . . . . . . . . rr_1gw3 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID rr_1gw3 _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 1gw3.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1gw3 1 1 1gw3.mr . . DISCOVER 2 distance NOE simple 450 rr_1gw3 1 1 1gw3.mr . . n/a 3 comment 'Not applicable' 'Not applicable' 0 rr_1gw3 1 1 1gw3.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1gw3 1 stop_ save_ save_Discover_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID rr_1gw3 _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1gw3 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 OR . 1 1 25 25 TYR QD H . . . 1 1 26 26 SER HB2 H . . . . . 5.0 1.8 8.00 . . . . . A . 25 TYR QD . . A . 26 SER HB2 . 1 . 25 TYR HD* . . . 1 . 26 SER HB* . . rr_1gw3 1 1 2 OR . 1 1 25 25 TYR QD H . . . 1 1 26 26 SER HB3 H . . . . . 5.0 1.8 8.00 . . . . . A . 25 TYR QD . . A . 26 SER HB3 . 1 . 25 TYR HD* . . . 1 . 26 SER HB* . . rr_1gw3 1 2 1 . . 1 1 25 25 TYR H H . . . 1 1 25 25 TYR HA H . . . . . 3.8 1.8 3.80 . . . . . A . 25 TYR H . . A . 25 TYR HA . 1 . 25 TYR HN . . . 1 . 25 TYR HA . . rr_1gw3 1 3 1 . . 1 1 35 35 ALA H H . . . 1 1 31 31 GLN HA H . . . . . 5.0 1.8 5.00 . . . . . A . 35 ALA H . . A . 31 GLN HA . 1 . 35 ALA HN . . . 1 . 31 GLN HA . . rr_1gw3 1 4 1 OR . 1 1 25 25 TYR H H . . . 1 1 26 26 SER HB2 H . . . . . 5.0 1.8 6.00 . . . . . A . 25 TYR H . . A . 26 SER HB2 . 1 . 25 TYR HN . . . 1 . 26 SER HB* . . rr_1gw3 1 4 2 OR . 1 1 26 26 SER HB3 H . . . 1 1 25 25 TYR H H . . . . . 5.0 1.8 6.00 . . . . . A . 26 SER HB3 . . A . 25 TYR H . 1 . 26 SER HB* . . . 1 . 25 TYR HN . . rr_1gw3 1 5 1 . . 1 1 25 25 TYR HA H . . . 1 1 26 26 SER H H . . . . . 3.8 1.8 3.80 . . . . . A . 25 TYR HA . . A . 26 SER H . 1 . 25 TYR HA . . . 1 . 26 SER HN . . rr_1gw3 1 6 1 . . 1 1 25 25 TYR H H . . . 1 1 26 26 SER H H . . . . . 2.8 1.8 3.80 . . . . . A . 25 TYR H . . A . 26 SER H . 1 . 25 TYR HN . . . 1 . 26 SER HN . . rr_1gw3 1 7 1 . . 1 1 26 26 SER H H . . . 1 1 27 27 ASP H H . . . . . 2.8 1.8 2.80 . . . . . A . 26 SER H . . A . 27 ASP H . 1 . 26 SER HN . . . 1 . 27 ASP- HN . . rr_1gw3 1 8 1 . . 1 1 27 27 ASP H H . . . 1 1 28 28 GLU H H . . . . . 2.8 1.8 2.80 . . . . . A . 27 ASP H . . A . 28 GLU H . 1 . 27 ASP- HN . . . 1 . 28 GLU- HN . . rr_1gw3 1 9 1 . . 1 1 25 25 TYR HA H . . . 1 1 28 28 GLU H H . . . . . 5.0 1.8 5.00 . . . . . A . 25 TYR HA . . A . 28 GLU H . 1 . 25 TYR HA . . . 1 . 28 GLU- HN . . rr_1gw3 1 10 1 . . 1 1 25 25 TYR HA H . . . 1 1 28 28 GLU HB3 H . . . . . 5.0 1.8 5.00 . . . . . A . 25 TYR HA . . A . 28 GLU HB3 . 1 . 25 TYR HA . . . 1 . 28 GLU- HB1 . . rr_1gw3 1 11 1 . . 1 1 25 25 TYR HA H . . . 1 1 28 28 GLU HB2 H . . . . . 5.0 1.8 5.00 . . . . . A . 25 TYR HA . . A . 28 GLU HB2 . 1 . 25 TYR HA . . . 1 . 28 GLU- HB2 . . rr_1gw3 1 12 1 OR . 1 1 25 25 TYR HA H . . . 1 1 28 28 GLU HG2 H . . . . . 6.0 1.8 7.00 . . . . . A . 25 TYR HA . . A . 28 GLU HG2 . 1 . 25 TYR HA . . . 1 . 28 GLU- HG* . . rr_1gw3 1 12 2 OR . 1 1 25 25 TYR HA H . . . 1 1 28 28 GLU HG3 H . . . . . 6.0 1.8 7.00 . . . . . A . 25 TYR HA . . A . 28 GLU HG3 . 1 . 25 TYR HA . . . 1 . 28 GLU- HG* . . rr_1gw3 1 13 1 . . 1 1 25 25 TYR HA H . . . 1 1 25 25 TYR HB3 H . . . . . 3.8 1.8 3.80 . . . . . A . 25 TYR HA . . A . 25 TYR HB3 . 1 . 25 TYR HA . . . 1 . 25 TYR HB1 . . rr_1gw3 1 14 1 . . 1 1 25 25 TYR HA H . . . 1 1 25 25 TYR HB2 H . . . . . 3.8 1.8 3.80 . . . . . A . 25 TYR HA . . A . 25 TYR HB2 . 1 . 25 TYR HA . . . 1 . 25 TYR HB2 . . rr_1gw3 1 15 1 . . 1 1 25 25 TYR H H . . . 1 1 22 22 LEU HA H . . . . . 5.0 1.8 5.00 . . . . . A . 25 TYR H . . A . 22 LEU HA . 1 . 25 TYR HN . . . 1 . 22 LEU HA . . rr_1gw3 1 16 1 . . 1 1 25 25 TYR H H . . . 1 1 24 24 PRO HA H . . . . . 3.8 1.8 3.80 . . . . . A . 25 TYR H . . A . 24 PRO HA . 1 . 25 TYR HN . . . 1 . 24 PRO HA . . rr_1gw3 1 17 1 . . 1 1 24 24 PRO HA H . . . 1 1 23 23 ALA MB H . . . . . 5.0 1.8 7.00 . . . . . A . 24 PRO HA . . A . 23 ALA MB . 1 . 24 PRO HA . . . 1 . 23 ALA HB* . . rr_1gw3 1 18 1 . . 1 1 25 25 TYR H H . . . 1 1 24 24 PRO HD2 H . . . . . 5.0 1.8 5.00 . . . . . A . 25 TYR H . . A . 24 PRO HD2 . 1 . 25 TYR HN . . . 1 . 24 PRO HD2 . . rr_1gw3 1 19 1 . . 1 1 25 25 TYR H H . . . 1 1 24 24 PRO HD3 H . . . . . 5.0 1.8 5.00 . . . . . A . 25 TYR H . . A . 24 PRO HD3 . 1 . 25 TYR HN . . . 1 . 24 PRO HD1 . . rr_1gw3 1 20 1 . . 1 1 25 25 TYR H H . . . 1 1 24 24 PRO HB2 H . . . . . 6.0 1.8 6.00 . . . . . A . 25 TYR H . . A . 24 PRO HB2 . 1 . 25 TYR HN . . . 1 . 24 PRO HB2 . . rr_1gw3 1 21 1 . . 1 1 25 25 TYR H H . . . 1 1 25 25 TYR HB3 H . . . . . 3.8 1.8 3.80 . . . . . A . 25 TYR H . . A . 25 TYR HB3 . 1 . 25 TYR HN . . . 1 . 25 TYR HB1 . . rr_1gw3 1 22 1 . . 1 1 25 25 TYR H H . . . 1 1 25 25 TYR HB2 H . . . . . 3.8 1.8 3.80 . . . . . A . 25 TYR H . . A . 25 TYR HB2 . 1 . 25 TYR HN . . . 1 . 25 TYR HB2 . . rr_1gw3 1 23 1 . . 1 1 25 25 TYR QD H . . . 1 1 25 25 TYR H H . . . . . 2.8 1.8 4.80 . . . . . A . 25 TYR QD . . A . 25 TYR H . 1 . 25 TYR HD* . . . 1 . 25 TYR HN . . rr_1gw3 1 24 1 . . 1 1 25 25 TYR H H . . . 1 1 25 25 TYR QE H . . . . . 3.8 1.8 5.80 . . . . . A . 25 TYR H . . A . 25 TYR QE . 1 . 25 TYR HN . . . 1 . 25 TYR HE* . . rr_1gw3 1 25 1 OR . 1 1 38 38 GLU HA H . . . 1 1 41 41 LYS HD2 H . . . . . 6.0 1.8 7.00 . . . . . A . 38 GLU HA . . A . 41 LYS HD2 . 1 . 38 GLU- HA . . . 1 . 41 LYS+ HD* . . rr_1gw3 1 25 2 OR . 1 1 41 41 LYS HD3 H . . . 1 1 38 38 GLU HA H . . . . . 6.0 1.8 7.00 . . . . . A . 41 LYS HD3 . . A . 38 GLU HA . 1 . 41 LYS+ HD* . . . 1 . 38 GLU- HA . . rr_1gw3 1 26 1 . . 1 1 25 25 TYR QD H . . . 1 1 25 25 TYR HA H . . . . . 2.8 1.8 4.80 . . . . . A . 25 TYR QD . . A . 25 TYR HA . 1 . 25 TYR HD* . . . 1 . 25 TYR HA . . rr_1gw3 1 27 1 . . 1 1 25 25 TYR HA H . . . 1 1 24 24 PRO HG2 H . . . . . 6.0 1.8 6.20 . . . . . A . 25 TYR HA . . A . 24 PRO HG2 . 1 . 25 TYR HA . . . 1 . 24 PRO HG2 . . rr_1gw3 1 28 1 . . 1 1 25 25 TYR QD H . . . 1 1 22 22 LEU HA H . . . . . 2.8 1.8 4.80 . . . . . A . 25 TYR QD . . A . 22 LEU HA . 1 . 25 TYR HD* . . . 1 . 22 LEU HA . . rr_1gw3 1 29 1 . . 1 1 25 25 TYR QD H . . . 1 1 22 22 LEU HG H . . . . . 5.0 1.8 7.00 . . . . . A . 25 TYR QD . . A . 22 LEU HG . 1 . 25 TYR HD* . . . 1 . 22 LEU HG . . rr_1gw3 1 30 1 OR . 1 1 25 25 TYR QD H . . . 1 1 22 22 LEU MD1 H . . . . . 3.8 1.8 8.40 . . . . . A . 25 TYR QD . . A . 22 LEU MD1 . 1 . 25 TYR HD* . . . 1 . 22 LEU HD* . . rr_1gw3 1 30 2 OR . 1 1 25 25 TYR QD H . . . 1 1 22 22 LEU MD2 H . . . . . 3.8 1.8 8.40 . . . . . A . 25 TYR QD . . A . 22 LEU MD2 . 1 . 25 TYR HD* . . . 1 . 22 LEU HD* . . rr_1gw3 1 31 1 OR . 1 1 25 25 TYR QE H . . . 1 1 22 22 LEU MD1 H . . . . . 5.0 1.8 9.90 . . . . . A . 25 TYR QE . . A . 22 LEU MD1 . 1 . 25 TYR HE* . . . 1 . 22 LEU HD* . . rr_1gw3 1 31 2 OR . 1 1 25 25 TYR QE H . . . 1 1 22 22 LEU MD2 H . . . . . 5.0 1.8 9.90 . . . . . A . 25 TYR QE . . A . 22 LEU MD2 . 1 . 25 TYR HE* . . . 1 . 22 LEU HD* . . rr_1gw3 1 32 1 . . 1 1 25 25 TYR QD H . . . 1 1 24 24 PRO HD2 H . . . . . 3.8 1.8 5.80 . . . . . A . 25 TYR QD . . A . 24 PRO HD2 . 1 . 25 TYR HD* . . . 1 . 24 PRO HD2 . . rr_1gw3 1 33 1 . . 1 1 25 25 TYR QD H . . . 1 1 24 24 PRO HB2 H . . . . . 5.0 1.8 7.00 . . . . . A . 25 TYR QD . . A . 24 PRO HB2 . 1 . 25 TYR HD* . . . 1 . 24 PRO HB2 . . rr_1gw3 1 34 1 . . 1 1 25 25 TYR QD H . . . 1 1 24 24 PRO HB3 H . . . . . 6.0 1.8 8.00 . . . . . A . 25 TYR QD . . A . 24 PRO HB3 . 1 . 25 TYR HD* . . . 1 . 24 PRO HB1 . . rr_1gw3 1 35 1 . . 1 1 25 25 TYR QD H . . . 1 1 24 24 PRO HD3 H . . . . . 5.0 1.8 7.00 . . . . . A . 25 TYR QD . . A . 24 PRO HD3 . 1 . 25 TYR HD* . . . 1 . 24 PRO HD1 . . rr_1gw3 1 36 1 . . 1 1 25 25 TYR QD H . . . 1 1 24 24 PRO HG2 H . . . . . 5.0 1.8 7.50 . . . . . A . 25 TYR QD . . A . 24 PRO HG2 . 1 . 25 TYR HD* . . . 1 . 24 PRO HG2 . . rr_1gw3 1 37 1 . . 1 1 25 25 TYR QD H . . . 1 1 24 24 PRO HG3 H . . . . . 3.8 1.8 6.80 . . . . . A . 25 TYR QD . . A . 24 PRO HG3 . 1 . 25 TYR HD* . . . 1 . 24 PRO HG1 . . rr_1gw3 1 38 1 . . 1 1 25 25 TYR QE H . . . 1 1 24 24 PRO HG3 H . . . . . 5.0 1.8 7.00 . . . . . A . 25 TYR QE . . A . 24 PRO HG3 . 1 . 25 TYR HE* . . . 1 . 24 PRO HG1 . . rr_1gw3 1 39 1 . . 1 1 25 25 TYR QE H . . . 1 1 24 24 PRO HG2 H . . . . . 3.8 1.8 5.80 . . . . . A . 25 TYR QE . . A . 24 PRO HG2 . 1 . 25 TYR HE* . . . 1 . 24 PRO HG2 . . rr_1gw3 1 40 1 . . 1 1 25 25 TYR HB2 H . . . 1 1 25 25 TYR QE H . . . . . 5.0 1.8 7.00 . . . . . A . 25 TYR HB2 . . A . 25 TYR QE . 1 . 25 TYR HB2 . . . 1 . 25 TYR HE* . . rr_1gw3 1 41 1 . . 1 1 25 25 TYR HB3 H . . . 1 1 25 25 TYR QE H . . . . . 5.0 1.8 7.00 . . . . . A . 25 TYR HB3 . . A . 25 TYR QE . 1 . 25 TYR HB1 . . . 1 . 25 TYR HE* . . rr_1gw3 1 42 1 . . 1 1 31 31 GLN HE21 H . . . 1 1 31 31 GLN HG2 H . . . . . 5.0 1.8 5.00 . . . . . A . 31 GLN HE21 . . A . 31 GLN HG2 . 1 . 31 GLN HE21 . . . 1 . 31 GLN HG2 . . rr_1gw3 1 43 1 . . 1 1 31 31 GLN HE21 H . . . 1 1 31 31 GLN HG3 H . . . . . 5.0 1.8 5.00 . . . . . A . 31 GLN HE21 . . A . 31 GLN HG3 . 1 . 31 GLN HE21 . . . 1 . 31 GLN HG1 . . rr_1gw3 1 44 1 . . 1 1 31 31 GLN HG2 H . . . 1 1 31 31 GLN HE22 H . . . . . 5.0 1.8 5.00 . . . . . A . 31 GLN HG2 . . A . 31 GLN HE22 . 1 . 31 GLN HG2 . . . 1 . 31 GLN HE22 . . rr_1gw3 1 45 1 . . 1 1 24 24 PRO HD2 H . . . 1 1 25 25 TYR QE H . . . . . 5.0 1.8 7.00 . . . . . A . 24 PRO HD2 . . A . 25 TYR QE . 1 . 24 PRO HD2 . . . 1 . 25 TYR HE* . . rr_1gw3 1 46 1 . . 1 1 24 24 PRO HD3 H . . . 1 1 25 25 TYR QE H . . . . . 6.0 1.8 8.00 . . . . . A . 24 PRO HD3 . . A . 25 TYR QE . 1 . 24 PRO HD1 . . . 1 . 25 TYR HE* . . rr_1gw3 1 47 1 . . 1 1 25 25 TYR QD H . . . 1 1 25 25 TYR HB3 H . . . . . 2.8 1.8 4.80 . . . . . A . 25 TYR QD . . A . 25 TYR HB3 . 1 . 25 TYR HD* . . . 1 . 25 TYR HB1 . . rr_1gw3 1 48 1 . . 1 1 25 25 TYR QD H . . . 1 1 25 25 TYR HB2 H . . . . . 2.8 1.8 4.80 . . . . . A . 25 TYR QD . . A . 25 TYR HB2 . 1 . 25 TYR HD* . . . 1 . 25 TYR HB2 . . rr_1gw3 1 49 1 OR . 1 1 25 25 TYR HB2 H . . . 1 1 29 29 LEU MD1 H . . . . . 3.8 1.8 6.40 . . . . . A . 25 TYR HB2 . . A . 29 LEU MD1 . 1 . 25 TYR HB2 . . . 1 . 29 LEU HD* . . rr_1gw3 1 49 2 OR . 1 1 25 25 TYR HB2 H . . . 1 1 29 29 LEU MD2 H . . . . . 3.8 1.8 6.40 . . . . . A . 25 TYR HB2 . . A . 29 LEU MD2 . 1 . 25 TYR HB2 . . . 1 . 29 LEU HD* . . rr_1gw3 1 50 1 OR . 1 1 25 25 TYR HB3 H . . . 1 1 29 29 LEU MD1 H . . . . . 3.8 1.8 6.40 . . . . . A . 25 TYR HB3 . . A . 29 LEU MD1 . 1 . 25 TYR HB1 . . . 1 . 29 LEU HD* . . rr_1gw3 1 50 2 OR . 1 1 25 25 TYR HB3 H . . . 1 1 29 29 LEU MD2 H . . . . . 3.8 1.8 6.40 . . . . . A . 25 TYR HB3 . . A . 29 LEU MD2 . 1 . 25 TYR HB1 . . . 1 . 29 LEU HD* . . rr_1gw3 1 51 1 . . 1 1 25 25 TYR QD H . . . 1 1 24 24 PRO HA H . . . . . 6.0 1.8 8.00 . . . . . A . 25 TYR QD . . A . 24 PRO HA . 1 . 25 TYR HD* . . . 1 . 24 PRO HA . . rr_1gw3 1 52 1 . . 1 1 24 24 PRO HA H . . . 1 1 24 24 PRO HB3 H . . . . . 2.8 1.8 3.00 . . . . . A . 24 PRO HA . . A . 24 PRO HB3 . 1 . 24 PRO HA . . . 1 . 24 PRO HB1 . . rr_1gw3 1 53 1 . . 1 1 24 24 PRO HA H . . . 1 1 24 24 PRO HB2 H . . . . . 3.8 1.8 3.80 . . . . . A . 24 PRO HA . . A . 24 PRO HB2 . 1 . 24 PRO HA . . . 1 . 24 PRO HB2 . . rr_1gw3 1 54 1 . . 1 1 24 24 PRO HA H . . . 1 1 24 24 PRO HG2 H . . . . . 3.8 1.8 4.00 . . . . . A . 24 PRO HA . . A . 24 PRO HG2 . 1 . 24 PRO HA . . . 1 . 24 PRO HG2 . . rr_1gw3 1 55 1 . . 1 1 24 24 PRO HA H . . . 1 1 24 24 PRO HG3 H . . . . . 3.8 1.8 4.00 . . . . . A . 24 PRO HA . . A . 24 PRO HG3 . 1 . 24 PRO HA . . . 1 . 24 PRO HG1 . . rr_1gw3 1 56 1 . . 1 1 24 24 PRO HA H . . . 1 1 24 24 PRO HD3 H . . . . . 5.0 1.8 5.00 . . . . . A . 24 PRO HA . . A . 24 PRO HD3 . 1 . 24 PRO HA . . . 1 . 24 PRO HD1 . . rr_1gw3 1 57 1 . . 1 1 24 24 PRO HD3 H . . . 1 1 24 24 PRO HG3 H . . . . . 2.8 1.8 3.00 . . . . . A . 24 PRO HD3 . . A . 24 PRO HG3 . 1 . 24 PRO HD1 . . . 1 . 24 PRO HG1 . . rr_1gw3 1 58 1 . . 1 1 24 24 PRO HD2 H . . . 1 1 24 24 PRO HG2 H . . . . . 2.8 1.8 3.00 . . . . . A . 24 PRO HD2 . . A . 24 PRO HG2 . 1 . 24 PRO HD2 . . . 1 . 24 PRO HG2 . . rr_1gw3 1 59 1 . . 1 1 23 23 ALA MB H . . . 1 1 24 24 PRO HD3 H . . . . . 2.8 1.8 4.80 . . . . . A . 23 ALA MB . . A . 24 PRO HD3 . 1 . 23 ALA HB* . . . 1 . 24 PRO HD1 . . rr_1gw3 1 60 1 . . 1 1 23 23 ALA MB H . . . 1 1 24 24 PRO HD2 H . . . . . 2.8 1.8 4.80 . . . . . A . 23 ALA MB . . A . 24 PRO HD2 . 1 . 23 ALA HB* . . . 1 . 24 PRO HD2 . . rr_1gw3 1 61 1 . . 1 1 24 24 PRO HD3 H . . . 1 1 23 23 ALA H H . . . . . 3.8 1.8 3.80 . . . . . A . 24 PRO HD3 . . A . 23 ALA H . 1 . 24 PRO HD1 . . . 1 . 23 ALA HN . . rr_1gw3 1 62 1 . . 1 1 24 24 PRO HD2 H . . . 1 1 23 23 ALA H H . . . . . 3.8 1.8 3.80 . . . . . A . 24 PRO HD2 . . A . 23 ALA H . 1 . 24 PRO HD2 . . . 1 . 23 ALA HN . . rr_1gw3 1 63 1 . . 1 1 22 22 LEU HA H . . . 1 1 23 23 ALA H H . . . . . 3.8 1.8 3.80 . . . . . A . 22 LEU HA . . A . 23 ALA H . 1 . 22 LEU HA . . . 1 . 23 ALA HN . . rr_1gw3 1 64 1 . . 1 1 23 23 ALA H H . . . 1 1 23 23 ALA HA H . . . . . 2.8 1.8 3.00 . . . . . A . 23 ALA H . . A . 23 ALA HA . 1 . 23 ALA HN . . . 1 . 23 ALA HA . . rr_1gw3 1 65 1 . . 1 1 22 22 LEU HA H . . . 1 1 23 23 ALA MB H . . . . . 3.8 1.8 5.80 . . . . . A . 22 LEU HA . . A . 23 ALA MB . 1 . 22 LEU HA . . . 1 . 23 ALA HB* . . rr_1gw3 1 66 1 OR . 1 1 22 22 LEU HA H . . . 1 1 20 20 THR MG H . . . . . 5.0 1.8 7.50 . . . . . A . 22 LEU HA . . A . 20 THR MG . 1 . 22 LEU HA . . . 1 . 20 THR HG* . . rr_1gw3 1 66 2 OR . 1 1 22 22 LEU HA H . . . 1 1 20 20 THR HG1 H . . . . . 5.0 1.8 7.50 . . . . . A . 22 LEU HA . . A . 20 THR HG1 . 1 . 22 LEU HA . . . 1 . 20 THR HG* . . rr_1gw3 1 67 1 . . 1 1 23 23 ALA MB H . . . 1 1 23 23 ALA H H . . . . . 2.8 1.8 4.80 . . . . . A . 23 ALA MB . . A . 23 ALA H . 1 . 23 ALA HB* . . . 1 . 23 ALA HN . . rr_1gw3 1 68 1 . . 1 1 23 23 ALA MB H . . . 1 1 23 23 ALA HA H . . . . . 2.8 1.8 4.80 . . . . . A . 23 ALA MB . . A . 23 ALA HA . 1 . 23 ALA HB* . . . 1 . 23 ALA HA . . rr_1gw3 1 69 1 . . 1 1 24 24 PRO HD3 H . . . 1 1 23 23 ALA HA H . . . . . 5.0 1.8 6.00 . . . . . A . 24 PRO HD3 . . A . 23 ALA HA . 1 . 24 PRO HD1 . . . 1 . 23 ALA HA . . rr_1gw3 1 70 1 . . 1 1 24 24 PRO HD2 H . . . 1 1 23 23 ALA HA H . . . . . 5.0 1.8 6.00 . . . . . A . 24 PRO HD2 . . A . 23 ALA HA . 1 . 24 PRO HD2 . . . 1 . 23 ALA HA . . rr_1gw3 1 71 1 . . 1 1 24 24 PRO HD2 H . . . 1 1 24 24 PRO HB3 H . . . . . 5.0 1.8 5.00 . . . . . A . 24 PRO HD2 . . A . 24 PRO HB3 . 1 . 24 PRO HD2 . . . 1 . 24 PRO HB1 . . rr_1gw3 1 72 1 . . 1 1 24 24 PRO HD2 H . . . 1 1 24 24 PRO HB2 H . . . . . 5.0 1.8 5.00 . . . . . A . 24 PRO HD2 . . A . 24 PRO HB2 . 1 . 24 PRO HD2 . . . 1 . 24 PRO HB2 . . rr_1gw3 1 73 1 . . 1 1 24 24 PRO HD3 H . . . 1 1 24 24 PRO HB3 H . . . . . 5.0 1.8 5.00 . . . . . A . 24 PRO HD3 . . A . 24 PRO HB3 . 1 . 24 PRO HD1 . . . 1 . 24 PRO HB1 . . rr_1gw3 1 74 1 OR . 1 1 28 28 GLU HA H . . . 1 1 31 31 GLN HB2 H . . . . . 3.8 1.8 4.50 . . . . . A . 28 GLU HA . . A . 31 GLN HB2 . 1 . 28 GLU- HA . . . 1 . 31 GLN HB* . . rr_1gw3 1 74 2 OR . 1 1 31 31 GLN HB3 H . . . 1 1 28 28 GLU HA H . . . . . 3.8 1.8 4.50 . . . . . A . 31 GLN HB3 . . A . 28 GLU HA . 1 . 31 GLN HB* . . . 1 . 28 GLU- HA . . rr_1gw3 1 75 1 . . 1 1 38 38 GLU H H . . . 1 1 37 37 LEU HA H . . . . . 3.8 1.8 3.80 . . . . . A . 38 GLU H . . A . 37 LEU HA . 1 . 38 GLU- HN . . . 1 . 37 LEU HA . . rr_1gw3 1 76 1 . . 1 1 26 26 SER H H . . . 1 1 25 25 TYR HB2 H . . . . . 5.0 1.8 5.00 . . . . . A . 26 SER H . . A . 25 TYR HB2 . 1 . 26 SER HN . . . 1 . 25 TYR HB2 . . rr_1gw3 1 77 1 . . 1 1 19 19 ARG HE H . . . 1 1 15 15 VAL MG2 H . . . . . 5.0 1.8 7.00 . . . . . A . 19 ARG HE . . A . 15 VAL MG2 . 1 . 19 ARG+ HE . . . 1 . 15 VAL HG2* . . rr_1gw3 1 78 1 . . 1 1 19 19 ARG HE H . . . 1 1 19 19 ARG HG2 H . . . . . 3.8 1.8 3.80 . . . . . A . 19 ARG HE . . A . 19 ARG HG2 . 1 . 19 ARG+ HE . . . 1 . 19 ARG+ HG2 . . rr_1gw3 1 79 1 . . 1 1 19 19 ARG HE H . . . 1 1 19 19 ARG HG3 H . . . . . 3.8 1.8 3.80 . . . . . A . 19 ARG HE . . A . 19 ARG HG3 . 1 . 19 ARG+ HE . . . 1 . 19 ARG+ HG1 . . rr_1gw3 1 80 1 . . 1 1 19 19 ARG HE H . . . 1 1 19 19 ARG HB3 H . . . . . 5.0 1.8 5.00 . . . . . A . 19 ARG HE . . A . 19 ARG HB3 . 1 . 19 ARG+ HE . . . 1 . 19 ARG+ HB1 . . rr_1gw3 1 81 1 . . 1 1 19 19 ARG HE H . . . 1 1 19 19 ARG HB2 H . . . . . 5.0 1.8 5.00 . . . . . A . 19 ARG HE . . A . 19 ARG HB2 . 1 . 19 ARG+ HE . . . 1 . 19 ARG+ HB2 . . rr_1gw3 1 82 1 OR . 1 1 19 19 ARG HE H . . . 1 1 19 19 ARG HD2 H . . . . . 2.8 1.8 3.80 . . . . . A . 19 ARG HE . . A . 19 ARG HD2 . 1 . 19 ARG+ HE . . . 1 . 19 ARG+ HD* . . rr_1gw3 1 82 2 OR . 1 1 19 19 ARG HE H . . . 1 1 19 19 ARG HD3 H . . . . . 2.8 1.8 3.80 . . . . . A . 19 ARG HE . . A . 19 ARG HD3 . 1 . 19 ARG+ HE . . . 1 . 19 ARG+ HD* . . rr_1gw3 1 83 1 OR . 1 1 19 19 ARG H H . . . 1 1 19 19 ARG HD2 H . . . . . 5.0 1.8 6.00 . . . . . A . 19 ARG H . . A . 19 ARG HD2 . 1 . 19 ARG+ HN . . . 1 . 19 ARG+ HD* . . rr_1gw3 1 83 2 OR . 1 1 19 19 ARG HD3 H . . . 1 1 19 19 ARG H H . . . . . 5.0 1.8 6.00 . . . . . A . 19 ARG HD3 . . A . 19 ARG H . 1 . 19 ARG+ HD* . . . 1 . 19 ARG+ HN . . rr_1gw3 1 84 1 OR . 1 1 19 19 ARG HG2 H . . . 1 1 19 19 ARG HD2 H . . . . . 2.8 1.8 3.80 . . . . . A . 19 ARG HG2 . . A . 19 ARG HD2 . 1 . 19 ARG+ HG2 . . . 1 . 19 ARG+ HD* . . rr_1gw3 1 84 2 OR . 1 1 19 19 ARG HG2 H . . . 1 1 19 19 ARG HD3 H . . . . . 2.8 1.8 3.80 . . . . . A . 19 ARG HG2 . . A . 19 ARG HD3 . 1 . 19 ARG+ HG2 . . . 1 . 19 ARG+ HD* . . rr_1gw3 1 85 1 . . 1 1 19 19 ARG HE H . . . 1 1 19 19 ARG HA H . . . . . 5.0 1.8 5.00 . . . . . A . 19 ARG HE . . A . 19 ARG HA . 1 . 19 ARG+ HE . . . 1 . 19 ARG+ HA . . rr_1gw3 1 86 1 . . 1 1 19 19 ARG HE H . . . 1 1 19 19 ARG H H . . . . . 5.0 1.8 5.00 . . . . . A . 19 ARG HE . . A . 19 ARG H . 1 . 19 ARG+ HE . . . 1 . 19 ARG+ HN . . rr_1gw3 1 87 1 OR . 1 1 30 30 ARG HE H . . . 1 1 30 30 ARG HG2 H . . . . . 3.8 1.8 4.50 . . . . . A . 30 ARG HE . . A . 30 ARG HG2 . 1 . 30 ARG+ HE . . . 1 . 30 ARG+ HG* . . rr_1gw3 1 87 2 OR . 1 1 30 30 ARG HE H . . . 1 1 30 30 ARG HG3 H . . . . . 3.8 1.8 4.50 . . . . . A . 30 ARG HE . . A . 30 ARG HG3 . 1 . 30 ARG+ HE . . . 1 . 30 ARG+ HG* . . rr_1gw3 1 88 1 . . 1 1 30 30 ARG HE H . . . 1 1 30 30 ARG HA H . . . . . 5.0 1.8 5.00 . . . . . A . 30 ARG HE . . A . 30 ARG HA . 1 . 30 ARG+ HE . . . 1 . 30 ARG+ HA . . rr_1gw3 1 89 1 . . 1 1 30 30 ARG HE H . . . 1 1 30 30 ARG H H . . . . . 5.0 1.8 5.00 . . . . . A . 30 ARG HE . . A . 30 ARG H . 1 . 30 ARG+ HE . . . 1 . 30 ARG+ HN . . rr_1gw3 1 90 1 . . 1 1 32 32 ARG HE H . . . 1 1 32 32 ARG HA H . . . . . 5.0 1.8 5.00 . . . . . A . 32 ARG HE . . A . 32 ARG HA . 1 . 32 ARG+ HE . . . 1 . 32 ARG+ HA . . rr_1gw3 1 91 1 OR . 1 1 32 32 ARG HE H . . . 1 1 32 32 ARG HG2 H . . . . . 3.8 1.8 4.50 . . . . . A . 32 ARG HE . . A . 32 ARG HG2 . 1 . 32 ARG+ HE . . . 1 . 32 ARG+ HG* . . rr_1gw3 1 91 2 OR . 1 1 32 32 ARG HE H . . . 1 1 32 32 ARG HG3 H . . . . . 3.8 1.8 4.50 . . . . . A . 32 ARG HE . . A . 32 ARG HG3 . 1 . 32 ARG+ HE . . . 1 . 32 ARG+ HG* . . rr_1gw3 1 92 1 OR . 1 1 32 32 ARG HE H . . . 1 1 32 32 ARG HD2 H . . . . . 2.8 1.8 3.80 . . . . . A . 32 ARG HE . . A . 32 ARG HD2 . 1 . 32 ARG+ HE . . . 1 . 32 ARG+ HD* . . rr_1gw3 1 92 2 OR . 1 1 32 32 ARG HE H . . . 1 1 32 32 ARG HD3 H . . . . . 2.8 1.8 3.80 . . . . . A . 32 ARG HE . . A . 32 ARG HD3 . 1 . 32 ARG+ HE . . . 1 . 32 ARG+ HD* . . rr_1gw3 1 93 1 . . 1 1 36 36 ARG HE H . . . 1 1 36 36 ARG HA H . . . . . 5.0 1.8 5.00 . . . . . A . 36 ARG HE . . A . 36 ARG HA . 1 . 36 ARG+ HE . . . 1 . 36 ARG+ HA . . rr_1gw3 1 94 1 . . 1 1 36 36 ARG HE H . . . 1 1 36 36 ARG HG3 H . . . . . 3.8 1.8 3.80 . . . . . A . 36 ARG HE . . A . 36 ARG HG3 . 1 . 36 ARG+ HE . . . 1 . 36 ARG+ HG1 . . rr_1gw3 1 95 1 . . 1 1 36 36 ARG HE H . . . 1 1 36 36 ARG HG2 H . . . . . 3.8 1.8 3.80 . . . . . A . 36 ARG HE . . A . 36 ARG HG2 . 1 . 36 ARG+ HE . . . 1 . 36 ARG+ HG2 . . rr_1gw3 1 96 1 . . 1 1 36 36 ARG HE H . . . 1 1 36 36 ARG HB3 H . . . . . 5.0 1.8 5.00 . . . . . A . 36 ARG HE . . A . 36 ARG HB3 . 1 . 36 ARG+ HE . . . 1 . 36 ARG+ HB1 . . rr_1gw3 1 97 1 . . 1 1 36 36 ARG HE H . . . 1 1 36 36 ARG HB2 H . . . . . 5.0 1.8 5.00 . . . . . A . 36 ARG HE . . A . 36 ARG HB2 . 1 . 36 ARG+ HE . . . 1 . 36 ARG+ HB2 . . rr_1gw3 1 98 1 . . 1 1 36 36 ARG HG2 H . . . 1 1 36 36 ARG HD2 H . . . . . 2.8 1.8 3.00 . . . . . A . 36 ARG HG2 . . A . 36 ARG HD2 . 1 . 36 ARG+ HG2 . . . 1 . 36 ARG+ HD2 . . rr_1gw3 1 99 1 . . 1 1 36 36 ARG HE H . . . 1 1 36 36 ARG HD3 H . . . . . 2.8 1.8 3.00 . . . . . A . 36 ARG HE . . A . 36 ARG HD3 . 1 . 36 ARG+ HE . . . 1 . 36 ARG+ HD1 . . rr_1gw3 1 100 1 OR . 1 1 15 15 VAL MG2 H . . . 1 1 12 12 ARG QH1 H . . . . . 5.0 1.8 9.00 . . . . . A . 15 VAL MG2 . . A . 12 ARG QH1 . 1 . 15 VAL HG2* . . . 1 . 12 ARG+ HH* . . rr_1gw3 1 100 2 OR . 1 1 15 15 VAL MG2 H . . . 1 1 12 12 ARG QH2 H . . . . . 5.0 1.8 9.00 . . . . . A . 15 VAL MG2 . . A . 12 ARG QH2 . 1 . 15 VAL HG2* . . . 1 . 12 ARG+ HH* . . rr_1gw3 1 101 1 . . 1 1 36 36 ARG HE H . . . 1 1 36 36 ARG HD2 H . . . . . 2.8 1.8 3.00 . . . . . A . 36 ARG HE . . A . 36 ARG HD2 . 1 . 36 ARG+ HE . . . 1 . 36 ARG+ HD2 . . rr_1gw3 1 102 1 . . 1 1 8 8 ARG HE H . . . 1 1 8 8 ARG HG3 H . . . . . 3.8 1.8 3.80 . . . . . A . 8 ARG HE . . A . 8 ARG HG3 . 1 . 8 ARG+ HE . . . 1 . 8 ARG+ HG1 . . rr_1gw3 1 103 1 . . 1 1 8 8 ARG HE H . . . 1 1 8 8 ARG HG2 H . . . . . 3.8 1.8 3.80 . . . . . A . 8 ARG HE . . A . 8 ARG HG2 . 1 . 8 ARG+ HE . . . 1 . 8 ARG+ HG2 . . rr_1gw3 1 104 1 OR . 1 1 8 8 ARG HE H . . . 1 1 8 8 ARG HD2 H . . . . . 3.8 1.8 4.50 . . . . . A . 8 ARG HE . . A . 8 ARG HD2 . 1 . 8 ARG+ HE . . . 1 . 8 ARG+ HD* . . rr_1gw3 1 104 2 OR . 1 1 8 8 ARG HE H . . . 1 1 8 8 ARG HD3 H . . . . . 3.8 1.8 4.50 . . . . . A . 8 ARG HE . . A . 8 ARG HD3 . 1 . 8 ARG+ HE . . . 1 . 8 ARG+ HD* . . rr_1gw3 1 105 1 . . 1 1 8 8 ARG HE H . . . 1 1 8 8 ARG HA H . . . . . 3.8 1.8 4.50 . . . . . A . 8 ARG HE . . A . 8 ARG HA . 1 . 8 ARG+ HE . . . 1 . 8 ARG+ HA . . rr_1gw3 1 106 1 . . 1 1 10 10 ARG HE H . . . 1 1 10 10 ARG HG3 H . . . . . 3.8 1.8 3.80 . . . . . A . 10 ARG HE . . A . 10 ARG HG3 . 1 . 10 ARG+ HE . . . 1 . 10 ARG+ HG1 . . rr_1gw3 1 107 1 . . 1 1 10 10 ARG HE H . . . 1 1 10 10 ARG HA H . . . . . 5.0 1.8 5.00 . . . . . A . 10 ARG HE . . A . 10 ARG HA . 1 . 10 ARG+ HE . . . 1 . 10 ARG+ HA . . rr_1gw3 1 108 1 . . 1 1 10 10 ARG HE H . . . 1 1 10 10 ARG H H . . . . . 5.0 1.8 5.00 . . . . . A . 10 ARG HE . . A . 10 ARG H . 1 . 10 ARG+ HE . . . 1 . 10 ARG+ HN . . rr_1gw3 1 109 1 . . 1 1 12 12 ARG HE H . . . 1 1 12 12 ARG HG3 H . . . . . 3.8 1.8 3.80 . . . . . A . 12 ARG HE . . A . 12 ARG HG3 . 1 . 12 ARG+ HE . . . 1 . 12 ARG+ HG1 . . rr_1gw3 1 110 1 . . 1 1 12 12 ARG HE H . . . 1 1 12 12 ARG HG2 H . . . . . 3.8 1.8 3.80 . . . . . A . 12 ARG HE . . A . 12 ARG HG2 . 1 . 12 ARG+ HE . . . 1 . 12 ARG+ HG2 . . rr_1gw3 1 111 1 OR . 1 1 12 12 ARG HE H . . . 1 1 12 12 ARG HB2 H . . . . . 5.0 1.8 6.00 . . . . . A . 12 ARG HE . . A . 12 ARG HB2 . 1 . 12 ARG+ HE . . . 1 . 12 ARG+ HB* . . rr_1gw3 1 111 2 OR . 1 1 12 12 ARG HE H . . . 1 1 12 12 ARG HB3 H . . . . . 5.0 1.8 6.00 . . . . . A . 12 ARG HE . . A . 12 ARG HB3 . 1 . 12 ARG+ HE . . . 1 . 12 ARG+ HB* . . rr_1gw3 1 112 1 OR . 1 1 12 12 ARG HG2 H . . . 1 1 12 12 ARG HD2 H . . . . . 2.8 1.8 3.80 . . . . . A . 12 ARG HG2 . . A . 12 ARG HD2 . 1 . 12 ARG+ HG2 . . . 1 . 12 ARG+ HD* . . rr_1gw3 1 112 2 OR . 1 1 12 12 ARG HG2 H . . . 1 1 12 12 ARG HD3 H . . . . . 2.8 1.8 3.80 . . . . . A . 12 ARG HG2 . . A . 12 ARG HD3 . 1 . 12 ARG+ HG2 . . . 1 . 12 ARG+ HD* . . rr_1gw3 1 113 1 . . 1 1 12 12 ARG HE H . . . 1 1 12 12 ARG HA H . . . . . 5.0 1.8 5.00 . . . . . A . 12 ARG HE . . A . 12 ARG HA . 1 . 12 ARG+ HE . . . 1 . 12 ARG+ HA . . rr_1gw3 1 114 1 . . 1 1 12 12 ARG HE H . . . 1 1 12 12 ARG H H . . . . . 5.0 1.8 5.00 . . . . . A . 12 ARG HE . . A . 12 ARG H . 1 . 12 ARG+ HE . . . 1 . 12 ARG+ HN . . rr_1gw3 1 115 1 . . 1 1 16 16 ASP H H . . . 1 1 15 15 VAL HA H . . . . . 3.8 1.8 3.80 . . . . . A . 16 ASP H . . A . 15 VAL HA . 1 . 16 ASP- HN . . . 1 . 15 VAL HA . . rr_1gw3 1 116 1 . . 1 1 16 16 ASP H H . . . 1 1 13 13 ALA HA H . . . . . 5.0 1.8 5.00 . . . . . A . 16 ASP H . . A . 13 ALA HA . 1 . 16 ASP- HN . . . 1 . 13 ALA HA . . rr_1gw3 1 117 1 OR . 1 1 13 13 ALA HA H . . . 1 1 16 16 ASP HB2 H . . . . . 3.8 1.8 4.50 . . . . . A . 13 ALA HA . . A . 16 ASP HB2 . 1 . 13 ALA HA . . . 1 . 16 ASP- HB* . . rr_1gw3 1 117 2 OR . 1 1 13 13 ALA HA H . . . 1 1 16 16 ASP HB3 H . . . . . 3.8 1.8 4.50 . . . . . A . 13 ALA HA . . A . 16 ASP HB3 . 1 . 13 ALA HA . . . 1 . 16 ASP- HB* . . rr_1gw3 1 118 1 . . 1 1 14 14 HIS H H . . . 1 1 13 13 ALA MB H . . . . . 3.8 1.8 5.50 . . . . . A . 14 HIS H . . A . 13 ALA MB . 1 . 14 HIS+ HN . . . 1 . 13 ALA HB* . . rr_1gw3 1 119 1 . . 1 1 14 14 HIS H H . . . 1 1 15 15 VAL H H . . . . . 2.8 1.8 2.80 . . . . . A . 14 HIS H . . A . 15 VAL H . 1 . 14 HIS+ HN . . . 1 . 15 VAL HN . . rr_1gw3 1 120 1 . . 1 1 13 13 ALA MB H . . . 1 1 14 14 HIS HD2 H . . . . . 3.8 1.8 5.80 . . . . . A . 13 ALA MB . . A . 14 HIS HD2 . 1 . 13 ALA HB* . . . 1 . 14 HIS+ HD2 . . rr_1gw3 1 121 1 . . 1 1 14 14 HIS H H . . . 1 1 14 14 HIS HD2 H . . . . . 3.8 1.8 3.80 . . . . . A . 14 HIS H . . A . 14 HIS HD2 . 1 . 14 HIS+ HN . . . 1 . 14 HIS+ HD2 . . rr_1gw3 1 122 1 . . 1 1 21 21 HIS H H . . . 1 1 21 21 HIS HD2 H . . . . . 3.8 1.8 3.80 . . . . . A . 21 HIS H . . A . 21 HIS HD2 . 1 . 21 HIS+ HN . . . 1 . 21 HIS+ HD2 . . rr_1gw3 1 123 1 . . 1 1 21 21 HIS HD2 H . . . 1 1 20 20 THR H H . . . . . 5.0 1.8 5.00 . . . . . A . 21 HIS HD2 . . A . 20 THR H . 1 . 21 HIS+ HD2 . . . 1 . 20 THR HN . . rr_1gw3 1 124 1 . . 1 1 14 14 HIS H H . . . 1 1 14 14 HIS HB3 H . . . . . 3.8 1.8 3.80 . . . . . A . 14 HIS H . . A . 14 HIS HB3 . 1 . 14 HIS+ HN . . . 1 . 14 HIS+ HB1 . . rr_1gw3 1 125 1 . . 1 1 14 14 HIS H H . . . 1 1 14 14 HIS HB2 H . . . . . 3.8 1.8 3.80 . . . . . A . 14 HIS H . . A . 14 HIS HB2 . 1 . 14 HIS+ HN . . . 1 . 14 HIS+ HB2 . . rr_1gw3 1 126 1 . . 1 1 15 15 VAL HA H . . . 1 1 18 18 LEU HB3 H . . . . . 3.8 1.8 3.80 . . . . . A . 15 VAL HA . . A . 18 LEU HB3 . 1 . 15 VAL HA . . . 1 . 18 LEU HB1 . . rr_1gw3 1 127 1 . . 1 1 15 15 VAL HA H . . . 1 1 18 18 LEU MD1 H . . . . . 3.8 1.8 5.50 . . . . . A . 15 VAL HA . . A . 18 LEU MD1 . 1 . 15 VAL HA . . . 1 . 18 LEU HD1* . . rr_1gw3 1 128 1 . . 1 1 15 15 VAL HA H . . . 1 1 18 18 LEU HB2 H . . . . . 3.8 1.8 3.80 . . . . . A . 15 VAL HA . . A . 18 LEU HB2 . 1 . 15 VAL HA . . . 1 . 18 LEU HB2 . . rr_1gw3 1 129 1 . . 1 1 15 15 VAL HA H . . . 1 1 18 18 LEU MD2 H . . . . . 3.8 1.8 5.50 . . . . . A . 15 VAL HA . . A . 18 LEU MD2 . 1 . 15 VAL HA . . . 1 . 18 LEU HD2* . . rr_1gw3 1 130 1 . . 1 1 15 15 VAL HA H . . . 1 1 15 15 VAL H H . . . . . 2.8 1.8 3.80 . . . . . A . 15 VAL HA . . A . 15 VAL H . 1 . 15 VAL HA . . . 1 . 15 VAL HN . . rr_1gw3 1 131 1 . . 1 1 15 15 VAL HA H . . . 1 1 15 15 VAL HB H . . . . . 3.8 1.8 3.80 . . . . . A . 15 VAL HA . . A . 15 VAL HB . 1 . 15 VAL HA . . . 1 . 15 VAL HB . . rr_1gw3 1 132 1 . . 1 1 15 15 VAL HB H . . . 1 1 15 15 VAL MG1 H . . . . . 2.8 1.8 4.80 . . . . . A . 15 VAL HB . . A . 15 VAL MG1 . 1 . 15 VAL HB . . . 1 . 15 VAL HG1* . . rr_1gw3 1 133 1 . . 1 1 15 15 VAL MG2 H . . . 1 1 15 15 VAL HB H . . . . . 2.8 1.8 4.80 . . . . . A . 15 VAL MG2 . . A . 15 VAL HB . 1 . 15 VAL HG2* . . . 1 . 15 VAL HB . . rr_1gw3 1 134 1 . . 1 1 15 15 VAL HA H . . . 1 1 15 15 VAL MG1 H . . . . . 2.8 1.8 4.80 . . . . . A . 15 VAL HA . . A . 15 VAL MG1 . 1 . 15 VAL HA . . . 1 . 15 VAL HG1* . . rr_1gw3 1 135 1 . . 1 1 15 15 VAL MG2 H . . . 1 1 15 15 VAL HA H . . . . . 2.8 1.8 4.80 . . . . . A . 15 VAL MG2 . . A . 15 VAL HA . 1 . 15 VAL HG2* . . . 1 . 15 VAL HA . . rr_1gw3 1 136 1 . . 1 1 19 19 ARG H H . . . 1 1 18 18 LEU HB3 H . . . . . 3.8 1.8 3.80 . . . . . A . 19 ARG H . . A . 18 LEU HB3 . 1 . 19 ARG+ HN . . . 1 . 18 LEU HB1 . . rr_1gw3 1 137 1 . . 1 1 19 19 ARG H H . . . 1 1 18 18 LEU HB2 H . . . . . 3.8 1.8 3.80 . . . . . A . 19 ARG H . . A . 18 LEU HB2 . 1 . 19 ARG+ HN . . . 1 . 18 LEU HB2 . . rr_1gw3 1 138 1 . . 1 1 19 19 ARG H H . . . 1 1 18 18 LEU MD2 H . . . . . 5.0 1.8 7.00 . . . . . A . 19 ARG H . . A . 18 LEU MD2 . 1 . 19 ARG+ HN . . . 1 . 18 LEU HD2* . . rr_1gw3 1 139 1 . . 1 1 19 19 ARG HB3 H . . . 1 1 19 19 ARG H H . . . . . 2.8 1.8 3.80 . . . . . A . 19 ARG HB3 . . A . 19 ARG H . 1 . 19 ARG+ HB1 . . . 1 . 19 ARG+ HN . . rr_1gw3 1 140 1 . . 1 1 19 19 ARG HB2 H . . . 1 1 19 19 ARG H H . . . . . 2.8 1.8 3.80 . . . . . A . 19 ARG HB2 . . A . 19 ARG H . 1 . 19 ARG+ HB2 . . . 1 . 19 ARG+ HN . . rr_1gw3 1 141 1 . . 1 1 19 19 ARG HG2 H . . . 1 1 19 19 ARG H H . . . . . 5.0 1.8 5.00 . . . . . A . 19 ARG HG2 . . A . 19 ARG H . 1 . 19 ARG+ HG2 . . . 1 . 19 ARG+ HN . . rr_1gw3 1 142 1 . . 1 1 19 19 ARG HG3 H . . . 1 1 19 19 ARG H H . . . . . 3.8 1.8 5.00 . . . . . A . 19 ARG HG3 . . A . 19 ARG H . 1 . 19 ARG+ HG1 . . . 1 . 19 ARG+ HN . . rr_1gw3 1 143 1 . . 1 1 12 12 ARG HA H . . . 1 1 15 15 VAL HB H . . . . . 3.8 1.8 3.80 . . . . . A . 12 ARG HA . . A . 15 VAL HB . 1 . 12 ARG+ HA . . . 1 . 15 VAL HB . . rr_1gw3 1 144 1 . . 1 1 12 12 ARG HA H . . . 1 1 15 15 VAL MG1 H . . . . . 2.8 1.8 4.80 . . . . . A . 12 ARG HA . . A . 15 VAL MG1 . 1 . 12 ARG+ HA . . . 1 . 15 VAL HG1* . . rr_1gw3 1 145 1 . . 1 1 15 15 VAL MG2 H . . . 1 1 12 12 ARG HA H . . . . . 3.8 1.8 5.50 . . . . . A . 15 VAL MG2 . . A . 12 ARG HA . 1 . 15 VAL HG2* . . . 1 . 12 ARG+ HA . . rr_1gw3 1 146 1 OR . 1 1 16 16 ASP H H . . . 1 1 16 16 ASP HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 16 ASP H . . A . 16 ASP HB2 . 1 . 16 ASP- HN . . . 1 . 16 ASP- HB* . . rr_1gw3 1 146 2 OR . 1 1 16 16 ASP H H . . . 1 1 16 16 ASP HB3 H . . . . . 2.8 1.8 3.80 . . . . . A . 16 ASP H . . A . 16 ASP HB3 . 1 . 16 ASP- HN . . . 1 . 16 ASP- HB* . . rr_1gw3 1 147 1 . . 1 1 16 16 ASP H H . . . 1 1 15 15 VAL HB H . . . . . 3.8 1.8 3.80 . . . . . A . 16 ASP H . . A . 15 VAL HB . 1 . 16 ASP- HN . . . 1 . 15 VAL HB . . rr_1gw3 1 148 1 . . 1 1 16 16 ASP H H . . . 1 1 15 15 VAL MG1 H . . . . . 3.8 1.8 5.50 . . . . . A . 16 ASP H . . A . 15 VAL MG1 . 1 . 16 ASP- HN . . . 1 . 15 VAL HG1* . . rr_1gw3 1 149 1 . . 1 1 15 15 VAL MG2 H . . . 1 1 16 16 ASP H H . . . . . 3.8 1.8 5.50 . . . . . A . 15 VAL MG2 . . A . 16 ASP H . 1 . 15 VAL HG2* . . . 1 . 16 ASP- HN . . rr_1gw3 1 150 1 . . 1 1 16 16 ASP H H . . . 1 1 17 17 ALA MB H . . . . . 3.8 1.8 5.50 . . . . . A . 16 ASP H . . A . 17 ALA MB . 1 . 16 ASP- HN . . . 1 . 17 ALA HB* . . rr_1gw3 1 151 1 . . 1 1 12 12 ARG HA H . . . 1 1 13 13 ALA H H . . . . . 3.8 1.8 3.80 . . . . . A . 12 ARG HA . . A . 13 ALA H . 1 . 12 ARG+ HA . . . 1 . 13 ALA HN . . rr_1gw3 1 152 1 OR . 1 1 13 13 ALA H H . . . 1 1 12 12 ARG HB2 H . . . . . 3.8 1.8 4.50 . . . . . A . 13 ALA H . . A . 12 ARG HB2 . 1 . 13 ALA HN . . . 1 . 12 ARG+ HB* . . rr_1gw3 1 152 2 OR . 1 1 12 12 ARG HB3 H . . . 1 1 13 13 ALA H H . . . . . 3.8 1.8 4.50 . . . . . A . 12 ARG HB3 . . A . 13 ALA H . 1 . 12 ARG+ HB* . . . 1 . 13 ALA HN . . rr_1gw3 1 153 1 . . 1 1 13 13 ALA HA H . . . 1 1 13 13 ALA H H . . . . . 2.8 1.8 3.00 . . . . . A . 13 ALA HA . . A . 13 ALA H . 1 . 13 ALA HA . . . 1 . 13 ALA HN . . rr_1gw3 1 154 1 . . 1 1 13 13 ALA HA H . . . 1 1 13 13 ALA MB H . . . . . 2.8 1.8 4.80 . . . . . A . 13 ALA HA . . A . 13 ALA MB . 1 . 13 ALA HA . . . 1 . 13 ALA HB* . . rr_1gw3 1 155 1 . . 1 1 13 13 ALA MB H . . . 1 1 13 13 ALA H H . . . . . 2.8 1.8 4.80 . . . . . A . 13 ALA MB . . A . 13 ALA H . 1 . 13 ALA HB* . . . 1 . 13 ALA HN . . rr_1gw3 1 156 1 . . 1 1 12 12 ARG HA H . . . 1 1 15 15 VAL H H . . . . . 3.8 1.8 3.80 . . . . . A . 12 ARG HA . . A . 15 VAL H . 1 . 12 ARG+ HA . . . 1 . 15 VAL HN . . rr_1gw3 1 157 1 . . 1 1 12 12 ARG HA H . . . 1 1 12 12 ARG H H . . . . . 2.8 1.8 3.00 . . . . . A . 12 ARG HA . . A . 12 ARG H . 1 . 12 ARG+ HA . . . 1 . 12 ARG+ HN . . rr_1gw3 1 158 1 . . 1 1 12 12 ARG H H . . . 1 1 11 11 ALA MB H . . . . . 3.8 1.8 5.50 . . . . . A . 12 ARG H . . A . 11 ALA MB . 1 . 12 ARG+ HN . . . 1 . 11 ALA HB* . . rr_1gw3 1 159 1 OR . 1 1 12 12 ARG H H . . . 1 1 12 12 ARG HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 12 ARG H . . A . 12 ARG HB2 . 1 . 12 ARG+ HN . . . 1 . 12 ARG+ HB* . . rr_1gw3 1 159 2 OR . 1 1 12 12 ARG HB3 H . . . 1 1 12 12 ARG H H . . . . . 2.8 1.8 3.80 . . . . . A . 12 ARG HB3 . . A . 12 ARG H . 1 . 12 ARG+ HB* . . . 1 . 12 ARG+ HN . . rr_1gw3 1 160 1 OR . 1 1 15 15 VAL MG1 H . . . 1 1 12 12 ARG HD2 H . . . . . 5.0 1.8 8.00 . . . . . A . 15 VAL MG1 . . A . 12 ARG HD2 . 1 . 15 VAL HG1* . . . 1 . 12 ARG+ HD* . . rr_1gw3 1 160 2 OR . 1 1 12 12 ARG HD3 H . . . 1 1 15 15 VAL MG1 H . . . . . 5.0 1.8 8.00 . . . . . A . 12 ARG HD3 . . A . 15 VAL MG1 . 1 . 12 ARG+ HD* . . . 1 . 15 VAL HG1* . . rr_1gw3 1 161 1 OR . 1 1 15 15 VAL MG2 H . . . 1 1 12 12 ARG HD2 H . . . . . 5.0 1.8 8.00 . . . . . A . 15 VAL MG2 . . A . 12 ARG HD2 . 1 . 15 VAL HG2* . . . 1 . 12 ARG+ HD* . . rr_1gw3 1 161 2 OR . 1 1 15 15 VAL MG2 H . . . 1 1 12 12 ARG HD3 H . . . . . 5.0 1.8 8.00 . . . . . A . 15 VAL MG2 . . A . 12 ARG HD3 . 1 . 15 VAL HG2* . . . 1 . 12 ARG+ HD* . . rr_1gw3 1 162 1 OR . 1 1 30 30 ARG HA H . . . 1 1 30 30 ARG HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 30 ARG HA . . A . 30 ARG HB2 . 1 . 30 ARG+ HA . . . 1 . 30 ARG+ HB* . . rr_1gw3 1 162 2 OR . 1 1 30 30 ARG HA H . . . 1 1 30 30 ARG HB3 H . . . . . 2.8 1.8 3.80 . . . . . A . 30 ARG HA . . A . 30 ARG HB3 . 1 . 30 ARG+ HA . . . 1 . 30 ARG+ HB* . . rr_1gw3 1 163 1 OR . 1 1 30 30 ARG HA H . . . 1 1 30 30 ARG HG2 H . . . . . 3.8 1.8 4.80 . . . . . A . 30 ARG HA . . A . 30 ARG HG2 . 1 . 30 ARG+ HA . . . 1 . 30 ARG+ HG* . . rr_1gw3 1 163 2 OR . 1 1 30 30 ARG HG3 H . . . 1 1 30 30 ARG HA H . . . . . 3.8 1.8 4.80 . . . . . A . 30 ARG HG3 . . A . 30 ARG HA . 1 . 30 ARG+ HG* . . . 1 . 30 ARG+ HA . . rr_1gw3 1 164 1 OR . 1 1 30 30 ARG HA H . . . 1 1 33 33 LEU HB2 H . . . . . 3.8 1.8 4.80 . . . . . A . 30 ARG HA . . A . 33 LEU HB2 . 1 . 30 ARG+ HA . . . 1 . 33 LEU HB* . . rr_1gw3 1 164 2 OR . 1 1 30 30 ARG HA H . . . 1 1 33 33 LEU HB3 H . . . . . 3.8 1.8 4.80 . . . . . A . 30 ARG HA . . A . 33 LEU HB3 . 1 . 30 ARG+ HA . . . 1 . 33 LEU HB* . . rr_1gw3 1 165 1 OR . 1 1 30 30 ARG HA H . . . 1 1 33 33 LEU MD1 H . . . . . 3.8 1.8 6.90 . . . . . A . 30 ARG HA . . A . 33 LEU MD1 . 1 . 30 ARG+ HA . . . 1 . 33 LEU HD* . . rr_1gw3 1 165 2 OR . 1 1 30 30 ARG HA H . . . 1 1 33 33 LEU MD2 H . . . . . 3.8 1.8 6.90 . . . . . A . 30 ARG HA . . A . 33 LEU MD2 . 1 . 30 ARG+ HA . . . 1 . 33 LEU HD* . . rr_1gw3 1 166 1 OR . 1 1 33 33 LEU H H . . . 1 1 33 33 LEU HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 33 LEU H . . A . 33 LEU HB2 . 1 . 33 LEU HN . . . 1 . 33 LEU HB* . . rr_1gw3 1 166 2 OR . 1 1 33 33 LEU HB3 H . . . 1 1 33 33 LEU H H . . . . . 2.8 1.8 3.80 . . . . . A . 33 LEU HB3 . . A . 33 LEU H . 1 . 33 LEU HB* . . . 1 . 33 LEU HN . . rr_1gw3 1 167 1 . . 1 1 33 33 LEU H H . . . 1 1 33 33 LEU HG H . . . . . 3.8 1.8 3.80 . . . . . A . 33 LEU H . . A . 33 LEU HG . 1 . 33 LEU HN . . . 1 . 33 LEU HG . . rr_1gw3 1 168 1 OR . 1 1 33 33 LEU H H . . . 1 1 33 33 LEU MD1 H . . . . . 3.8 1.8 6.40 . . . . . A . 33 LEU H . . A . 33 LEU MD1 . 1 . 33 LEU HN . . . 1 . 33 LEU HD* . . rr_1gw3 1 168 2 OR . 1 1 33 33 LEU MD2 H . . . 1 1 33 33 LEU H H . . . . . 3.8 1.8 6.40 . . . . . A . 33 LEU MD2 . . A . 33 LEU H . 1 . 33 LEU HD* . . . 1 . 33 LEU HN . . rr_1gw3 1 169 1 OR . 1 1 30 30 ARG HD3 H . . . 1 1 33 33 LEU MD1 H . . . . . 3.8 1.8 7.40 . . . . . A . 30 ARG HD3 . . A . 33 LEU MD1 . 1 . 30 ARG+ HD* . . . 1 . 33 LEU HD* . . rr_1gw3 1 169 2 OR . 1 1 30 30 ARG HD2 H . . . 1 1 33 33 LEU MD1 H . . . . . 3.8 1.8 7.40 . . . . . A . 30 ARG HD2 . . A . 33 LEU MD1 . 1 . 30 ARG+ HD* . . . 1 . 33 LEU HD* . . rr_1gw3 1 169 3 OR . 1 1 33 33 LEU MD2 H . . . 1 1 30 30 ARG HD2 H . . . . . 3.8 1.8 7.40 . . . . . A . 33 LEU MD2 . . A . 30 ARG HD2 . 1 . 33 LEU HD* . . . 1 . 30 ARG+ HD* . . rr_1gw3 1 169 4 OR . 1 1 33 33 LEU MD2 H . . . 1 1 30 30 ARG HD3 H . . . . . 3.8 1.8 7.40 . . . . . A . 33 LEU MD2 . . A . 30 ARG HD3 . 1 . 33 LEU HD* . . . 1 . 30 ARG+ HD* . . rr_1gw3 1 170 1 . . 1 1 14 14 HIS HB2 H . . . 1 1 11 11 ALA HA H . . . . . 5.0 1.8 5.00 . . . . . A . 14 HIS HB2 . . A . 11 ALA HA . 1 . 14 HIS+ HB2 . . . 1 . 11 ALA HA . . rr_1gw3 1 171 1 . . 1 1 11 11 ALA MB H . . . 1 1 11 11 ALA HA H . . . . . 2.8 1.8 4.80 . . . . . A . 11 ALA MB . . A . 11 ALA HA . 1 . 11 ALA HB* . . . 1 . 11 ALA HA . . rr_1gw3 1 172 1 . . 1 1 3 3 LEU MD1 H . . . 1 1 7 7 MET HG3 H . . . . . 5.0 1.8 7.00 . . . . . A . 3 LEU MD1 . . A . 7 MET HG3 . 1 . 3 LEU HD1* . . . 1 . 7 MET HG1 . . rr_1gw3 1 173 1 . . 1 1 3 3 LEU MD1 H . . . 1 1 7 7 MET HG2 H . . . . . 5.0 1.8 7.00 . . . . . A . 3 LEU MD1 . . A . 7 MET HG2 . 1 . 3 LEU HD1* . . . 1 . 7 MET HG2 . . rr_1gw3 1 174 1 . . 1 1 18 18 LEU H H . . . 1 1 16 16 ASP HA H . . . . . 5.0 1.8 5.00 . . . . . A . 18 LEU H . . A . 16 ASP HA . 1 . 18 LEU HN . . . 1 . 16 ASP- HA . . rr_1gw3 1 175 1 . . 1 1 31 31 GLN HA H . . . 1 1 34 34 ALA MB H . . . . . 2.8 1.8 4.80 . . . . . A . 31 GLN HA . . A . 34 ALA MB . 1 . 31 GLN HA . . . 1 . 34 ALA HB* . . rr_1gw3 1 176 1 OR . 1 1 31 31 GLN HA H . . . 1 1 31 31 GLN HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 31 GLN HA . . A . 31 GLN HB2 . 1 . 31 GLN HA . . . 1 . 31 GLN HB* . . rr_1gw3 1 176 2 OR . 1 1 31 31 GLN HA H . . . 1 1 31 31 GLN HB3 H . . . . . 2.8 1.8 3.80 . . . . . A . 31 GLN HA . . A . 31 GLN HB3 . 1 . 31 GLN HA . . . 1 . 31 GLN HB* . . rr_1gw3 1 177 1 . . 1 1 31 31 GLN HA H . . . 1 1 31 31 GLN HG3 H . . . . . 5.0 1.8 5.00 . . . . . A . 31 GLN HA . . A . 31 GLN HG3 . 1 . 31 GLN HA . . . 1 . 31 GLN HG1 . . rr_1gw3 1 178 1 . . 1 1 31 31 GLN HA H . . . 1 1 31 31 GLN HG2 H . . . . . 5.0 1.8 5.00 . . . . . A . 31 GLN HA . . A . 31 GLN HG2 . 1 . 31 GLN HA . . . 1 . 31 GLN HG2 . . rr_1gw3 1 179 1 . . 1 1 31 31 GLN HA H . . . 1 1 34 34 ALA H H . . . . . 3.8 1.8 3.80 . . . . . A . 31 GLN HA . . A . 34 ALA H . 1 . 31 GLN HA . . . 1 . 34 ALA HN . . rr_1gw3 1 180 1 . . 1 1 36 36 ARG H H . . . 1 1 35 35 ALA MB H . . . . . 3.8 1.8 5.50 . . . . . A . 36 ARG H . . A . 35 ALA MB . 1 . 36 ARG+ HN . . . 1 . 35 ALA HB* . . rr_1gw3 1 181 1 . . 1 1 36 36 ARG HB2 H . . . 1 1 36 36 ARG H H . . . . . 3.8 1.8 3.80 . . . . . A . 36 ARG HB2 . . A . 36 ARG H . 1 . 36 ARG+ HB2 . . . 1 . 36 ARG+ HN . . rr_1gw3 1 182 1 . . 1 1 36 36 ARG HB3 H . . . 1 1 36 36 ARG H H . . . . . 2.8 1.8 2.80 . . . . . A . 36 ARG HB3 . . A . 36 ARG H . 1 . 36 ARG+ HB1 . . . 1 . 36 ARG+ HN . . rr_1gw3 1 183 1 . . 1 1 8 8 ARG HA H . . . 1 1 11 11 ALA MB H . . . . . 2.8 1.8 4.80 . . . . . A . 8 ARG HA . . A . 11 ALA MB . 1 . 8 ARG+ HA . . . 1 . 11 ALA HB* . . rr_1gw3 1 184 1 . . 1 1 8 8 ARG HA H . . . 1 1 8 8 ARG H H . . . . . 2.8 1.8 3.00 . . . . . A . 8 ARG HA . . A . 8 ARG H . 1 . 8 ARG+ HA . . . 1 . 8 ARG+ HN . . rr_1gw3 1 185 1 . . 1 1 8 8 ARG HA H . . . 1 1 8 8 ARG HB2 H . . . . . 2.8 1.8 3.00 . . . . . A . 8 ARG HA . . A . 8 ARG HB2 . 1 . 8 ARG+ HA . . . 1 . 8 ARG+ HB2 . . rr_1gw3 1 186 1 . . 1 1 8 8 ARG HG3 H . . . 1 1 8 8 ARG HA H . . . . . 3.8 1.8 3.80 . . . . . A . 8 ARG HG3 . . A . 8 ARG HA . 1 . 8 ARG+ HG1 . . . 1 . 8 ARG+ HA . . rr_1gw3 1 187 1 . . 1 1 8 8 ARG H H . . . 1 1 8 8 ARG HB3 H . . . . . 2.8 1.8 3.80 . . . . . A . 8 ARG H . . A . 8 ARG HB3 . 1 . 8 ARG+ HN . . . 1 . 8 ARG+ HB1 . . rr_1gw3 1 188 1 . . 1 1 8 8 ARG H H . . . 1 1 8 8 ARG HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 8 ARG H . . A . 8 ARG HB2 . 1 . 8 ARG+ HN . . . 1 . 8 ARG+ HB2 . . rr_1gw3 1 189 1 . . 1 1 8 8 ARG HG3 H . . . 1 1 8 8 ARG H H . . . . . 3.8 1.8 5.00 . . . . . A . 8 ARG HG3 . . A . 8 ARG H . 1 . 8 ARG+ HG1 . . . 1 . 8 ARG+ HN . . rr_1gw3 1 190 1 . . 1 1 21 21 HIS HB3 H . . . 1 1 18 18 LEU HA H . . . . . 3.8 1.8 3.80 . . . . . A . 21 HIS HB3 . . A . 18 LEU HA . 1 . 21 HIS+ HB1 . . . 1 . 18 LEU HA . . rr_1gw3 1 191 1 . . 1 1 18 18 LEU HA H . . . 1 1 21 21 HIS HB2 H . . . . . 3.8 1.8 3.80 . . . . . A . 18 LEU HA . . A . 21 HIS HB2 . 1 . 18 LEU HA . . . 1 . 21 HIS+ HB2 . . rr_1gw3 1 192 1 . . 1 1 18 18 LEU HB2 H . . . 1 1 18 18 LEU HA H . . . . . 2.8 1.8 3.00 . . . . . A . 18 LEU HB2 . . A . 18 LEU HA . 1 . 18 LEU HB2 . . . 1 . 18 LEU HA . . rr_1gw3 1 193 1 . . 1 1 18 18 LEU MD1 H . . . 1 1 18 18 LEU HA H . . . . . 3.8 1.8 5.50 . . . . . A . 18 LEU MD1 . . A . 18 LEU HA . 1 . 18 LEU HD1* . . . 1 . 18 LEU HA . . rr_1gw3 1 194 1 . . 1 1 18 18 LEU MD2 H . . . 1 1 18 18 LEU HA H . . . . . 3.8 1.8 5.50 . . . . . A . 18 LEU MD2 . . A . 18 LEU HA . 1 . 18 LEU HD2* . . . 1 . 18 LEU HA . . rr_1gw3 1 195 1 . . 1 1 18 18 LEU H H . . . 1 1 18 18 LEU HA H . . . . . 2.8 1.8 3.00 . . . . . A . 18 LEU H . . A . 18 LEU HA . 1 . 18 LEU HN . . . 1 . 18 LEU HA . . rr_1gw3 1 196 1 . . 1 1 18 18 LEU MD1 H . . . 1 1 18 18 LEU H H . . . . . 5.0 1.8 7.00 . . . . . A . 18 LEU MD1 . . A . 18 LEU H . 1 . 18 LEU HD1* . . . 1 . 18 LEU HN . . rr_1gw3 1 197 1 . . 1 1 18 18 LEU MD2 H . . . 1 1 18 18 LEU H H . . . . . 3.8 1.8 5.50 . . . . . A . 18 LEU MD2 . . A . 18 LEU H . 1 . 18 LEU HD2* . . . 1 . 18 LEU HN . . rr_1gw3 1 198 1 . . 1 1 17 17 ALA MB H . . . 1 1 14 14 HIS HA H . . . . . 3.8 1.8 5.50 . . . . . A . 17 ALA MB . . A . 14 HIS HA . 1 . 17 ALA HB* . . . 1 . 14 HIS+ HA . . rr_1gw3 1 199 1 . . 1 1 14 14 HIS HA H . . . 1 1 17 17 ALA H H . . . . . 5.0 1.8 5.00 . . . . . A . 14 HIS HA . . A . 17 ALA H . 1 . 14 HIS+ HA . . . 1 . 17 ALA HN . . rr_1gw3 1 200 1 . . 1 1 14 14 HIS HB3 H . . . 1 1 14 14 HIS HA H . . . . . 3.8 1.8 3.80 . . . . . A . 14 HIS HB3 . . A . 14 HIS HA . 1 . 14 HIS+ HB1 . . . 1 . 14 HIS+ HA . . rr_1gw3 1 201 1 . . 1 1 14 14 HIS HB2 H . . . 1 1 14 14 HIS HA H . . . . . 3.8 1.8 3.80 . . . . . A . 14 HIS HB2 . . A . 14 HIS HA . 1 . 14 HIS+ HB2 . . . 1 . 14 HIS+ HA . . rr_1gw3 1 202 1 . . 1 1 13 13 ALA MB H . . . 1 1 14 14 HIS HA H . . . . . 5.0 1.8 7.00 . . . . . A . 13 ALA MB . . A . 14 HIS HA . 1 . 13 ALA HB* . . . 1 . 14 HIS+ HA . . rr_1gw3 1 203 1 . . 1 1 19 19 ARG H H . . . 1 1 17 17 ALA HA H . . . . . 5.0 1.8 5.00 . . . . . A . 19 ARG H . . A . 17 ALA HA . 1 . 19 ARG+ HN . . . 1 . 17 ALA HA . . rr_1gw3 1 204 1 . . 1 1 17 17 ALA H H . . . 1 1 17 17 ALA HA H . . . . . 2.8 1.8 3.00 . . . . . A . 17 ALA H . . A . 17 ALA HA . 1 . 17 ALA HN . . . 1 . 17 ALA HA . . rr_1gw3 1 205 1 . . 1 1 17 17 ALA MB H . . . 1 1 17 17 ALA H H . . . . . 2.8 1.8 4.80 . . . . . A . 17 ALA MB . . A . 17 ALA H . 1 . 17 ALA HB* . . . 1 . 17 ALA HN . . rr_1gw3 1 206 1 . . 1 1 18 18 LEU H H . . . 1 1 17 17 ALA HA H . . . . . 3.8 1.8 3.80 . . . . . A . 18 LEU H . . A . 17 ALA HA . 1 . 18 LEU HN . . . 1 . 17 ALA HA . . rr_1gw3 1 207 1 . . 1 1 17 17 ALA MB H . . . 1 1 18 18 LEU H H . . . . . 3.8 1.8 5.50 . . . . . A . 17 ALA MB . . A . 18 LEU H . 1 . 17 ALA HB* . . . 1 . 18 LEU HN . . rr_1gw3 1 208 1 . . 1 1 14 14 HIS H H . . . 1 1 14 14 HIS HA H . . . . . 2.8 1.8 3.80 . . . . . A . 14 HIS H . . A . 14 HIS HA . 1 . 14 HIS+ HN . . . 1 . 14 HIS+ HA . . rr_1gw3 1 209 1 OR . 1 1 9 9 ASP HA H . . . 1 1 12 12 ARG HB2 H . . . . . 3.8 1.8 4.50 . . . . . A . 9 ASP HA . . A . 12 ARG HB2 . 1 . 9 ASP- HA . . . 1 . 12 ARG+ HB* . . rr_1gw3 1 209 2 OR . 1 1 12 12 ARG HB3 H . . . 1 1 9 9 ASP HA H . . . . . 3.8 1.8 4.50 . . . . . A . 12 ARG HB3 . . A . 9 ASP HA . 1 . 12 ARG+ HB* . . . 1 . 9 ASP- HA . . rr_1gw3 1 210 1 OR . 1 1 9 9 ASP HA H . . . 1 1 12 12 ARG HD2 H . . . . . 5.0 1.8 6.00 . . . . . A . 9 ASP HA . . A . 12 ARG HD2 . 1 . 9 ASP- HA . . . 1 . 12 ARG+ HD* . . rr_1gw3 1 210 2 OR . 1 1 12 12 ARG HD3 H . . . 1 1 9 9 ASP HA H . . . . . 5.0 1.8 6.00 . . . . . A . 12 ARG HD3 . . A . 9 ASP HA . 1 . 12 ARG+ HD* . . . 1 . 9 ASP- HA . . rr_1gw3 1 211 1 OR . 1 1 12 12 ARG HA H . . . 1 1 12 12 ARG HD2 H . . . . . 5.0 1.8 6.00 . . . . . A . 12 ARG HA . . A . 12 ARG HD2 . 1 . 12 ARG+ HA . . . 1 . 12 ARG+ HD* . . rr_1gw3 1 211 2 OR . 1 1 12 12 ARG HD3 H . . . 1 1 12 12 ARG HA H . . . . . 5.0 1.8 6.00 . . . . . A . 12 ARG HD3 . . A . 12 ARG HA . 1 . 12 ARG+ HD* . . . 1 . 12 ARG+ HA . . rr_1gw3 1 212 1 OR . 1 1 16 16 ASP HA H . . . 1 1 19 19 ARG HD2 H . . . . . 5.0 1.8 6.00 . . . . . A . 16 ASP HA . . A . 19 ARG HD2 . 1 . 16 ASP- HA . . . 1 . 19 ARG+ HD* . . rr_1gw3 1 212 2 OR . 1 1 19 19 ARG HD3 H . . . 1 1 16 16 ASP HA H . . . . . 5.0 1.8 6.00 . . . . . A . 19 ARG HD3 . . A . 16 ASP HA . 1 . 19 ARG+ HD* . . . 1 . 16 ASP- HA . . rr_1gw3 1 213 1 OR . 1 1 19 19 ARG HA H . . . 1 1 19 19 ARG HD2 H . . . . . 5.0 1.8 6.00 . . . . . A . 19 ARG HA . . A . 19 ARG HD2 . 1 . 19 ARG+ HA . . . 1 . 19 ARG+ HD* . . rr_1gw3 1 213 2 OR . 1 1 19 19 ARG HD3 H . . . 1 1 19 19 ARG HA H . . . . . 5.0 1.8 6.00 . . . . . A . 19 ARG HD3 . . A . 19 ARG HA . 1 . 19 ARG+ HD* . . . 1 . 19 ARG+ HA . . rr_1gw3 1 214 1 . . 1 1 12 12 ARG H H . . . 1 1 9 9 ASP HA H . . . . . 3.8 1.8 3.80 . . . . . A . 12 ARG H . . A . 9 ASP HA . 1 . 12 ARG+ HN . . . 1 . 9 ASP- HA . . rr_1gw3 1 215 1 . . 1 1 9 9 ASP HA H . . . 1 1 9 9 ASP H H . . . . . 2.8 1.8 3.00 . . . . . A . 9 ASP HA . . A . 9 ASP H . 1 . 9 ASP- HA . . . 1 . 9 ASP- HN . . rr_1gw3 1 216 1 . . 1 1 9 9 ASP H H . . . 1 1 5 5 GLU HA H . . . . . 5.0 1.8 5.00 . . . . . A . 9 ASP H . . A . 5 GLU HA . 1 . 9 ASP- HN . . . 1 . 5 GLU- HA . . rr_1gw3 1 217 1 . . 1 1 9 9 ASP H H . . . 1 1 9 9 ASP HB3 H . . . . . 2.8 1.8 2.80 . . . . . A . 9 ASP H . . A . 9 ASP HB3 . 1 . 9 ASP- HN . . . 1 . 9 ASP- HB1 . . rr_1gw3 1 218 1 . . 1 1 9 9 ASP H H . . . 1 1 9 9 ASP HB2 H . . . . . 3.8 1.8 3.80 . . . . . A . 9 ASP H . . A . 9 ASP HB2 . 1 . 9 ASP- HN . . . 1 . 9 ASP- HB2 . . rr_1gw3 1 219 1 . . 1 1 8 8 ARG HB3 H . . . 1 1 9 9 ASP H H . . . . . 3.8 1.8 3.80 . . . . . A . 8 ARG HB3 . . A . 9 ASP H . 1 . 8 ARG+ HB1 . . . 1 . 9 ASP- HN . . rr_1gw3 1 220 1 . . 1 1 8 8 ARG HB2 H . . . 1 1 9 9 ASP H H . . . . . 3.8 1.8 3.80 . . . . . A . 8 ARG HB2 . . A . 9 ASP H . 1 . 8 ARG+ HB2 . . . 1 . 9 ASP- HN . . rr_1gw3 1 221 1 . . 1 1 10 10 ARG H H . . . 1 1 9 9 ASP HA H . . . . . 3.8 1.8 3.80 . . . . . A . 10 ARG H . . A . 9 ASP HA . 1 . 10 ARG+ HN . . . 1 . 9 ASP- HA . . rr_1gw3 1 222 1 . . 1 1 10 10 ARG H H . . . 1 1 9 9 ASP HB3 H . . . . . 5.0 1.8 5.00 . . . . . A . 10 ARG H . . A . 9 ASP HB3 . 1 . 10 ARG+ HN . . . 1 . 9 ASP- HB1 . . rr_1gw3 1 223 1 . . 1 1 10 10 ARG H H . . . 1 1 9 9 ASP HB2 H . . . . . 5.0 1.8 5.00 . . . . . A . 10 ARG H . . A . 9 ASP HB2 . 1 . 10 ARG+ HN . . . 1 . 9 ASP- HB2 . . rr_1gw3 1 224 1 OR . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 10 ARG H . . A . 10 ARG HB2 . 1 . 10 ARG+ HN . . . 1 . 10 ARG+ HB* . . rr_1gw3 1 224 2 OR . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HB3 H . . . . . 2.8 1.8 3.80 . . . . . A . 10 ARG H . . A . 10 ARG HB3 . 1 . 10 ARG+ HN . . . 1 . 10 ARG+ HB* . . rr_1gw3 1 225 1 . . 1 1 10 10 ARG HG3 H . . . 1 1 10 10 ARG H H . . . . . 3.8 1.8 3.80 . . . . . A . 10 ARG HG3 . . A . 10 ARG H . 1 . 10 ARG+ HG1 . . . 1 . 10 ARG+ HN . . rr_1gw3 1 226 1 . . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HG2 H . . . . . 3.8 1.8 3.80 . . . . . A . 10 ARG H . . A . 10 ARG HG2 . 1 . 10 ARG+ HN . . . 1 . 10 ARG+ HG2 . . rr_1gw3 1 227 1 . . 1 1 19 19 ARG HB3 H . . . 1 1 16 16 ASP HA H . . . . . 5.0 1.8 5.00 . . . . . A . 19 ARG HB3 . . A . 16 ASP HA . 1 . 19 ARG+ HB1 . . . 1 . 16 ASP- HA . . rr_1gw3 1 228 1 . . 1 1 19 19 ARG HG3 H . . . 1 1 16 16 ASP HA H . . . . . 5.0 1.8 5.00 . . . . . A . 19 ARG HG3 . . A . 16 ASP HA . 1 . 19 ARG+ HG1 . . . 1 . 16 ASP- HA . . rr_1gw3 1 229 1 OR . 1 1 17 17 ALA H H . . . 1 1 16 16 ASP HB2 H . . . . . 3.8 1.8 4.50 . . . . . A . 17 ALA H . . A . 16 ASP HB2 . 1 . 17 ALA HN . . . 1 . 16 ASP- HB* . . rr_1gw3 1 229 2 OR . 1 1 16 16 ASP HB3 H . . . 1 1 17 17 ALA H H . . . . . 3.8 1.8 4.50 . . . . . A . 16 ASP HB3 . . A . 17 ALA H . 1 . 16 ASP- HB* . . . 1 . 17 ALA HN . . rr_1gw3 1 230 1 . . 1 1 16 16 ASP HA H . . . 1 1 17 17 ALA H H . . . . . 3.8 1.8 3.80 . . . . . A . 16 ASP HA . . A . 17 ALA H . 1 . 16 ASP- HA . . . 1 . 17 ALA HN . . rr_1gw3 1 231 1 . . 1 1 19 19 ARG HE H . . . 1 1 16 16 ASP HA H . . . . . 5.0 1.8 5.00 . . . . . A . 19 ARG HE . . A . 16 ASP HA . 1 . 19 ARG+ HE . . . 1 . 16 ASP- HA . . rr_1gw3 1 232 1 . . 1 1 30 30 ARG H H . . . 1 1 27 27 ASP HA H . . . . . 3.8 1.8 3.80 . . . . . A . 30 ARG H . . A . 27 ASP HA . 1 . 30 ARG+ HN . . . 1 . 27 ASP- HA . . rr_1gw3 1 233 1 . . 1 1 28 28 GLU H H . . . 1 1 27 27 ASP HA H . . . . . 3.8 1.8 3.80 . . . . . A . 28 GLU H . . A . 27 ASP HA . 1 . 28 GLU- HN . . . 1 . 27 ASP- HA . . rr_1gw3 1 234 1 . . 1 1 28 28 GLU H H . . . 1 1 29 29 LEU H H . . . . . 2.8 1.8 2.80 . . . . . A . 28 GLU H . . A . 29 LEU H . 1 . 28 GLU- HN . . . 1 . 29 LEU HN . . rr_1gw3 1 235 1 OR . 1 1 27 27 ASP HA H . . . 1 1 30 30 ARG HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 27 ASP HA . . A . 30 ARG HB2 . 1 . 27 ASP- HA . . . 1 . 30 ARG+ HB* . . rr_1gw3 1 235 2 OR . 1 1 30 30 ARG HB3 H . . . 1 1 27 27 ASP HA H . . . . . 2.8 1.8 3.80 . . . . . A . 30 ARG HB3 . . A . 27 ASP HA . 1 . 30 ARG+ HB* . . . 1 . 27 ASP- HA . . rr_1gw3 1 236 1 OR . 1 1 27 27 ASP HA H . . . 1 1 30 30 ARG HD2 H . . . . . 5.0 1.8 6.00 . . . . . A . 27 ASP HA . . A . 30 ARG HD2 . 1 . 27 ASP- HA . . . 1 . 30 ARG+ HD* . . rr_1gw3 1 236 2 OR . 1 1 30 30 ARG HD3 H . . . 1 1 27 27 ASP HA H . . . . . 5.0 1.8 6.00 . . . . . A . 30 ARG HD3 . . A . 27 ASP HA . 1 . 30 ARG+ HD* . . . 1 . 27 ASP- HA . . rr_1gw3 1 237 1 . . 1 1 28 28 GLU HA H . . . 1 1 29 29 LEU H H . . . . . 3.8 1.8 3.80 . . . . . A . 28 GLU HA . . A . 29 LEU H . 1 . 28 GLU- HA . . . 1 . 29 LEU HN . . rr_1gw3 1 238 1 . . 1 1 21 21 HIS HD2 H . . . 1 1 18 18 LEU HA H . . . . . 3.8 1.8 3.80 . . . . . A . 21 HIS HD2 . . A . 18 LEU HA . 1 . 21 HIS+ HD2 . . . 1 . 18 LEU HA . . rr_1gw3 1 239 1 . . 1 1 14 14 HIS HD2 H . . . 1 1 11 11 ALA HA H . . . . . 3.8 1.8 3.80 . . . . . A . 14 HIS HD2 . . A . 11 ALA HA . 1 . 14 HIS+ HD2 . . . 1 . 11 ALA HA . . rr_1gw3 1 240 1 . . 1 1 15 15 VAL MG1 H . . . 1 1 11 11 ALA HA H . . . . . 6.0 1.8 8.00 . . . . . A . 15 VAL MG1 . . A . 11 ALA HA . 1 . 15 VAL HG1* . . . 1 . 11 ALA HA . . rr_1gw3 1 241 1 . . 1 1 14 14 HIS HD2 H . . . 1 1 11 11 ALA MB H . . . . . 6.0 1.8 8.00 . . . . . A . 14 HIS HD2 . . A . 11 ALA MB . 1 . 14 HIS+ HD2 . . . 1 . 11 ALA HB* . . rr_1gw3 1 242 1 . . 1 1 10 10 ARG HA H . . . 1 1 14 14 HIS HD2 H . . . . . 6.0 1.8 6.00 . . . . . A . 10 ARG HA . . A . 14 HIS HD2 . 1 . 10 ARG+ HA . . . 1 . 14 HIS+ HD2 . . rr_1gw3 1 243 1 . . 1 1 14 14 HIS HD2 H . . . 1 1 18 18 LEU HB3 H . . . . . 5.0 1.8 5.50 . . . . . A . 14 HIS HD2 . . A . 18 LEU HB3 . 1 . 14 HIS+ HD2 . . . 1 . 18 LEU HB1 . . rr_1gw3 1 244 1 . . 1 1 14 14 HIS HD2 H . . . 1 1 14 14 HIS HB3 H . . . . . 3.8 1.8 3.80 . . . . . A . 14 HIS HD2 . . A . 14 HIS HB3 . 1 . 14 HIS+ HD2 . . . 1 . 14 HIS+ HB1 . . rr_1gw3 1 245 1 . . 1 1 14 14 HIS HD2 H . . . 1 1 14 14 HIS HB2 H . . . . . 3.8 1.8 3.80 . . . . . A . 14 HIS HD2 . . A . 14 HIS HB2 . 1 . 14 HIS+ HD2 . . . 1 . 14 HIS+ HB2 . . rr_1gw3 1 246 1 . . 1 1 14 14 HIS HD2 H . . . 1 1 14 14 HIS HA H . . . . . 5.0 1.8 5.00 . . . . . A . 14 HIS HD2 . . A . 14 HIS HA . 1 . 14 HIS+ HD2 . . . 1 . 14 HIS+ HA . . rr_1gw3 1 247 1 . . 1 1 21 21 HIS HD2 H . . . 1 1 21 21 HIS HB3 H . . . . . 3.8 1.8 3.80 . . . . . A . 21 HIS HD2 . . A . 21 HIS HB3 . 1 . 21 HIS+ HD2 . . . 1 . 21 HIS+ HB1 . . rr_1gw3 1 248 1 . . 1 1 21 21 HIS HD2 H . . . 1 1 21 21 HIS HB2 H . . . . . 3.8 1.8 3.80 . . . . . A . 21 HIS HD2 . . A . 21 HIS HB2 . 1 . 21 HIS+ HD2 . . . 1 . 21 HIS+ HB2 . . rr_1gw3 1 249 1 . . 1 1 21 21 HIS HD2 H . . . 1 1 21 21 HIS HA H . . . . . 5.0 1.8 5.00 . . . . . A . 21 HIS HD2 . . A . 21 HIS HA . 1 . 21 HIS+ HD2 . . . 1 . 21 HIS+ HA . . rr_1gw3 1 250 1 . . 1 1 21 21 HIS HA H . . . 1 1 22 22 LEU H H . . . . . 2.8 1.8 3.50 . . . . . A . 21 HIS HA . . A . 22 LEU H . 1 . 21 HIS+ HA . . . 1 . 22 LEU HN . . rr_1gw3 1 251 1 . . 1 1 21 21 HIS HB3 H . . . 1 1 21 21 HIS HA H . . . . . 2.8 1.8 3.00 . . . . . A . 21 HIS HB3 . . A . 21 HIS HA . 1 . 21 HIS+ HB1 . . . 1 . 21 HIS+ HA . . rr_1gw3 1 252 1 . . 1 1 21 21 HIS HB2 H . . . 1 1 21 21 HIS HA H . . . . . 2.8 1.8 3.00 . . . . . A . 21 HIS HB2 . . A . 21 HIS HA . 1 . 21 HIS+ HB2 . . . 1 . 21 HIS+ HA . . rr_1gw3 1 253 1 OR . 1 1 22 22 LEU HA H . . . 1 1 22 22 LEU HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 22 LEU HA . . A . 22 LEU HB2 . 1 . 22 LEU HA . . . 1 . 22 LEU HB* . . rr_1gw3 1 253 2 OR . 1 1 22 22 LEU HA H . . . 1 1 22 22 LEU HB3 H . . . . . 2.8 1.8 3.80 . . . . . A . 22 LEU HA . . A . 22 LEU HB3 . 1 . 22 LEU HA . . . 1 . 22 LEU HB* . . rr_1gw3 1 254 1 . . 1 1 15 15 VAL H H . . . 1 1 14 14 HIS HB2 H . . . . . 5.0 1.8 5.00 . . . . . A . 15 VAL H . . A . 14 HIS HB2 . 1 . 15 VAL HN . . . 1 . 14 HIS+ HB2 . . rr_1gw3 1 255 1 . . 1 1 15 15 VAL H H . . . 1 1 14 14 HIS HA H . . . . . 5.0 1.8 5.00 . . . . . A . 15 VAL H . . A . 14 HIS HA . 1 . 15 VAL HN . . . 1 . 14 HIS+ HA . . rr_1gw3 1 256 1 . . 1 1 15 15 VAL H H . . . 1 1 15 15 VAL HB H . . . . . 2.8 1.8 2.80 . . . . . A . 15 VAL H . . A . 15 VAL HB . 1 . 15 VAL HN . . . 1 . 15 VAL HB . . rr_1gw3 1 257 1 . . 1 1 15 15 VAL H H . . . 1 1 15 15 VAL MG1 H . . . . . 2.8 1.8 4.80 . . . . . A . 15 VAL H . . A . 15 VAL MG1 . 1 . 15 VAL HN . . . 1 . 15 VAL HG1* . . rr_1gw3 1 258 1 . . 1 1 15 15 VAL MG2 H . . . 1 1 15 15 VAL H H . . . . . 5.0 1.8 7.00 . . . . . A . 15 VAL MG2 . . A . 15 VAL H . 1 . 15 VAL HG2* . . . 1 . 15 VAL HN . . rr_1gw3 1 259 1 . . 1 1 19 19 ARG H H . . . 1 1 20 20 THR H H . . . . . 3.8 1.8 3.80 . . . . . A . 19 ARG H . . A . 20 THR H . 1 . 19 ARG+ HN . . . 1 . 20 THR HN . . rr_1gw3 1 260 1 . . 1 1 21 21 HIS H H . . . 1 1 20 20 THR H H . . . . . 2.8 1.8 2.80 . . . . . A . 21 HIS H . . A . 20 THR H . 1 . 21 HIS+ HN . . . 1 . 20 THR HN . . rr_1gw3 1 261 1 . . 1 1 21 21 HIS H H . . . 1 1 22 22 LEU H H . . . . . 2.8 1.8 2.80 . . . . . A . 21 HIS H . . A . 22 LEU H . 1 . 21 HIS+ HN . . . 1 . 22 LEU HN . . rr_1gw3 1 262 1 . . 1 1 23 23 ALA H H . . . 1 1 22 22 LEU H H . . . . . 2.8 1.8 2.80 . . . . . A . 23 ALA H . . A . 22 LEU H . 1 . 23 ALA HN . . . 1 . 22 LEU HN . . rr_1gw3 1 263 1 . . 1 1 19 19 ARG HA H . . . 1 1 22 22 LEU H H . . . . . 3.8 1.8 3.80 . . . . . A . 19 ARG HA . . A . 22 LEU H . 1 . 19 ARG+ HA . . . 1 . 22 LEU HN . . rr_1gw3 1 264 1 . . 1 1 30 30 ARG HA H . . . 1 1 31 31 GLN H H . . . . . 3.8 1.8 3.80 . . . . . A . 30 ARG HA . . A . 31 GLN H . 1 . 30 ARG+ HA . . . 1 . 31 GLN HN . . rr_1gw3 1 265 1 . . 1 1 13 13 ALA H H . . . 1 1 9 9 ASP HA H . . . . . 5.0 1.8 5.00 . . . . . A . 13 ALA H . . A . 9 ASP HA . 1 . 13 ALA HN . . . 1 . 9 ASP- HA . . rr_1gw3 1 266 1 . . 1 1 20 20 THR H H . . . 1 1 16 16 ASP HA H . . . . . 5.0 1.8 5.00 . . . . . A . 20 THR H . . A . 16 ASP HA . 1 . 20 THR HN . . . 1 . 16 ASP- HA . . rr_1gw3 1 267 1 . . 1 1 19 19 ARG HA H . . . 1 1 20 20 THR H H . . . . . 3.8 1.8 3.80 . . . . . A . 19 ARG HA . . A . 20 THR H . 1 . 19 ARG+ HA . . . 1 . 20 THR HN . . rr_1gw3 1 268 1 . . 1 1 19 19 ARG HB3 H . . . 1 1 20 20 THR H H . . . . . 3.8 1.8 3.80 . . . . . A . 19 ARG HB3 . . A . 20 THR H . 1 . 19 ARG+ HB1 . . . 1 . 20 THR HN . . rr_1gw3 1 269 1 . . 1 1 19 19 ARG HB2 H . . . 1 1 20 20 THR H H . . . . . 3.8 1.8 3.80 . . . . . A . 19 ARG HB2 . . A . 20 THR H . 1 . 19 ARG+ HB2 . . . 1 . 20 THR HN . . rr_1gw3 1 270 1 . . 1 1 20 20 THR H H . . . 1 1 20 20 THR HB H . . . . . 2.8 1.8 2.80 . . . . . A . 20 THR H . . A . 20 THR HB . 1 . 20 THR HN . . . 1 . 20 THR HB . . rr_1gw3 1 271 1 OR . 1 1 20 20 THR H H . . . 1 1 20 20 THR MG H . . . . . 3.8 1.8 5.50 . . . . . A . 20 THR H . . A . 20 THR MG . 1 . 20 THR HN . . . 1 . 20 THR HG* . . rr_1gw3 1 271 2 OR . 1 1 20 20 THR HG1 H . . . 1 1 20 20 THR H H . . . . . 3.8 1.8 5.50 . . . . . A . 20 THR HG1 . . A . 20 THR H . 1 . 20 THR HG* . . . 1 . 20 THR HN . . rr_1gw3 1 272 1 . . 1 1 21 21 HIS H H . . . 1 1 20 20 THR HA H . . . . . 3.8 1.8 3.80 . . . . . A . 21 HIS H . . A . 20 THR HA . 1 . 21 HIS+ HN . . . 1 . 20 THR HA . . rr_1gw3 1 273 1 . . 1 1 21 21 HIS H H . . . 1 1 20 20 THR HB H . . . . . 3.8 1.8 3.80 . . . . . A . 21 HIS H . . A . 20 THR HB . 1 . 21 HIS+ HN . . . 1 . 20 THR HB . . rr_1gw3 1 274 1 OR . 1 1 20 20 THR HA H . . . 1 1 20 20 THR MG H . . . . . 2.8 1.8 4.80 . . . . . A . 20 THR HA . . A . 20 THR MG . 1 . 20 THR HA . . . 1 . 20 THR HG* . . rr_1gw3 1 274 2 OR . 1 1 20 20 THR HG1 H . . . 1 1 20 20 THR HA H . . . . . 2.8 1.8 4.80 . . . . . A . 20 THR HG1 . . A . 20 THR HA . 1 . 20 THR HG* . . . 1 . 20 THR HA . . rr_1gw3 1 275 1 OR . 1 1 20 20 THR HB H . . . 1 1 20 20 THR MG H . . . . . 2.8 1.8 4.80 . . . . . A . 20 THR HB . . A . 20 THR MG . 1 . 20 THR HB . . . 1 . 20 THR HG* . . rr_1gw3 1 275 2 OR . 1 1 20 20 THR HG1 H . . . 1 1 20 20 THR HB H . . . . . 2.8 1.8 4.80 . . . . . A . 20 THR HG1 . . A . 20 THR HB . 1 . 20 THR HG* . . . 1 . 20 THR HB . . rr_1gw3 1 276 1 OR . 1 1 21 21 HIS HD2 H . . . 1 1 20 20 THR MG H . . . . . 5.0 1.8 7.00 . . . . . A . 21 HIS HD2 . . A . 20 THR MG . 1 . 21 HIS+ HD2 . . . 1 . 20 THR HG* . . rr_1gw3 1 276 2 OR . 1 1 20 20 THR HG1 H . . . 1 1 21 21 HIS HD2 H . . . . . 5.0 1.8 7.00 . . . . . A . 20 THR HG1 . . A . 21 HIS HD2 . 1 . 20 THR HG* . . . 1 . 21 HIS+ HD2 . . rr_1gw3 1 277 1 . . 1 1 21 21 HIS HD2 H . . . 1 1 20 20 THR HB H . . . . . 5.0 1.8 5.00 . . . . . A . 21 HIS HD2 . . A . 20 THR HB . 1 . 21 HIS+ HD2 . . . 1 . 20 THR HB . . rr_1gw3 1 278 1 . . 1 1 21 21 HIS HD2 H . . . 1 1 17 17 ALA HA H . . . . . 5.0 1.8 5.00 . . . . . A . 21 HIS HD2 . . A . 17 ALA HA . 1 . 21 HIS+ HD2 . . . 1 . 17 ALA HA . . rr_1gw3 1 279 1 . . 1 1 21 21 HIS HD2 H . . . 1 1 17 17 ALA MB H . . . . . 5.0 1.8 7.00 . . . . . A . 21 HIS HD2 . . A . 17 ALA MB . 1 . 21 HIS+ HD2 . . . 1 . 17 ALA HB* . . rr_1gw3 1 280 1 OR . 1 1 21 21 HIS HD2 H . . . 1 1 22 22 LEU MD1 H . . . . . 5.0 1.8 7.90 . . . . . A . 21 HIS HD2 . . A . 22 LEU MD1 . 1 . 21 HIS+ HD2 . . . 1 . 22 LEU HD* . . rr_1gw3 1 280 2 OR . 1 1 22 22 LEU MD2 H . . . 1 1 21 21 HIS HD2 H . . . . . 5.0 1.8 7.90 . . . . . A . 22 LEU MD2 . . A . 21 HIS HD2 . 1 . 22 LEU HD* . . . 1 . 21 HIS+ HD2 . . rr_1gw3 1 281 1 . . 1 1 20 20 THR H H . . . 1 1 17 17 ALA HA H . . . . . 3.8 1.8 3.80 . . . . . A . 20 THR H . . A . 17 ALA HA . 1 . 20 THR HN . . . 1 . 17 ALA HA . . rr_1gw3 1 282 1 OR . 1 1 17 17 ALA HA H . . . 1 1 20 20 THR MG H . . . . . 5.0 1.8 7.00 . . . . . A . 17 ALA HA . . A . 20 THR MG . 1 . 17 ALA HA . . . 1 . 20 THR HG* . . rr_1gw3 1 282 2 OR . 1 1 20 20 THR HG1 H . . . 1 1 17 17 ALA HA H . . . . . 5.0 1.8 7.00 . . . . . A . 20 THR HG1 . . A . 17 ALA HA . 1 . 20 THR HG* . . . 1 . 17 ALA HA . . rr_1gw3 1 283 1 . . 1 1 17 17 ALA MB H . . . 1 1 17 17 ALA HA H . . . . . 2.8 1.8 4.80 . . . . . A . 17 ALA MB . . A . 17 ALA HA . 1 . 17 ALA HB* . . . 1 . 17 ALA HA . . rr_1gw3 1 284 1 . . 1 1 21 21 HIS H H . . . 1 1 21 21 HIS HA H . . . . . 2.8 1.8 3.00 . . . . . A . 21 HIS H . . A . 21 HIS HA . 1 . 21 HIS+ HN . . . 1 . 21 HIS+ HA . . rr_1gw3 1 285 1 OR . 1 1 21 21 HIS HA H . . . 1 1 20 20 THR MG H . . . . . 5.0 1.8 7.00 . . . . . A . 21 HIS HA . . A . 20 THR MG . 1 . 21 HIS+ HA . . . 1 . 20 THR HG* . . rr_1gw3 1 285 2 OR . 1 1 20 20 THR HG1 H . . . 1 1 21 21 HIS HA H . . . . . 5.0 1.8 7.00 . . . . . A . 20 THR HG1 . . A . 21 HIS HA . 1 . 20 THR HG* . . . 1 . 21 HIS+ HA . . rr_1gw3 1 286 1 . . 1 1 24 24 PRO HD2 H . . . 1 1 21 21 HIS HA H . . . . . 6.0 1.8 6.00 . . . . . A . 24 PRO HD2 . . A . 21 HIS HA . 1 . 24 PRO HD2 . . . 1 . 21 HIS+ HA . . rr_1gw3 1 287 1 . . 1 1 21 21 HIS HB3 H . . . 1 1 22 22 LEU H H . . . . . 3.8 1.8 3.80 . . . . . A . 21 HIS HB3 . . A . 22 LEU H . 1 . 21 HIS+ HB1 . . . 1 . 22 LEU HN . . rr_1gw3 1 288 1 . . 1 1 21 21 HIS HB2 H . . . 1 1 22 22 LEU H H . . . . . 3.8 1.8 3.80 . . . . . A . 21 HIS HB2 . . A . 22 LEU H . 1 . 21 HIS+ HB2 . . . 1 . 22 LEU HN . . rr_1gw3 1 289 1 . . 1 1 22 22 LEU HA H . . . 1 1 22 22 LEU H H . . . . . 2.8 1.8 3.00 . . . . . A . 22 LEU HA . . A . 22 LEU H . 1 . 22 LEU HA . . . 1 . 22 LEU HN . . rr_1gw3 1 290 1 OR . 1 1 22 22 LEU H H . . . 1 1 22 22 LEU HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 22 LEU H . . A . 22 LEU HB2 . 1 . 22 LEU HN . . . 1 . 22 LEU HB* . . rr_1gw3 1 290 2 OR . 1 1 22 22 LEU H H . . . 1 1 22 22 LEU HB3 H . . . . . 2.8 1.8 3.80 . . . . . A . 22 LEU H . . A . 22 LEU HB3 . 1 . 22 LEU HN . . . 1 . 22 LEU HB* . . rr_1gw3 1 291 1 . . 1 1 22 22 LEU HG H . . . 1 1 22 22 LEU H H . . . . . 3.8 1.8 3.80 . . . . . A . 22 LEU HG . . A . 22 LEU H . 1 . 22 LEU HG . . . 1 . 22 LEU HN . . rr_1gw3 1 292 1 . . 1 1 22 22 LEU HA H . . . 1 1 22 22 LEU HG H . . . . . 3.8 1.8 3.80 . . . . . A . 22 LEU HA . . A . 22 LEU HG . 1 . 22 LEU HA . . . 1 . 22 LEU HG . . rr_1gw3 1 293 1 OR . 1 1 22 22 LEU HA H . . . 1 1 22 22 LEU MD1 H . . . . . 2.8 1.8 5.70 . . . . . A . 22 LEU HA . . A . 22 LEU MD1 . 1 . 22 LEU HA . . . 1 . 22 LEU HD* . . rr_1gw3 1 293 2 OR . 1 1 22 22 LEU HA H . . . 1 1 22 22 LEU MD2 H . . . . . 2.8 1.8 5.70 . . . . . A . 22 LEU HA . . A . 22 LEU MD2 . 1 . 22 LEU HA . . . 1 . 22 LEU HD* . . rr_1gw3 1 294 1 . . 1 1 19 19 ARG H H . . . 1 1 18 18 LEU H H . . . . . 2.8 1.8 2.80 . . . . . A . 19 ARG H . . A . 18 LEU H . 1 . 19 ARG+ HN . . . 1 . 18 LEU HN . . rr_1gw3 1 295 1 . . 1 1 23 23 ALA MB H . . . 1 1 20 20 THR HA H . . . . . 3.8 1.8 5.50 . . . . . A . 23 ALA MB . . A . 20 THR HA . 1 . 23 ALA HB* . . . 1 . 20 THR HA . . rr_1gw3 1 296 1 . . 1 1 23 23 ALA H H . . . 1 1 20 20 THR HA H . . . . . 5.0 1.8 5.00 . . . . . A . 23 ALA H . . A . 20 THR HA . 1 . 23 ALA HN . . . 1 . 20 THR HA . . rr_1gw3 1 297 1 OR . 1 1 21 21 HIS H H . . . 1 1 20 20 THR MG H . . . . . 5.0 1.8 7.00 . . . . . A . 21 HIS H . . A . 20 THR MG . 1 . 21 HIS+ HN . . . 1 . 20 THR HG* . . rr_1gw3 1 297 2 OR . 1 1 20 20 THR HG1 H . . . 1 1 21 21 HIS H H . . . . . 5.0 1.8 7.00 . . . . . A . 20 THR HG1 . . A . 21 HIS H . 1 . 20 THR HG* . . . 1 . 21 HIS+ HN . . rr_1gw3 1 298 1 . . 1 1 10 10 ARG H H . . . 1 1 11 11 ALA H H . . . . . 2.8 1.8 2.80 . . . . . A . 10 ARG H . . A . 11 ALA H . 1 . 10 ARG+ HN . . . 1 . 11 ALA HN . . rr_1gw3 1 299 1 . . 1 1 10 10 ARG HA H . . . 1 1 10 10 ARG H H . . . . . 2.8 1.8 3.00 . . . . . A . 10 ARG HA . . A . 10 ARG H . 1 . 10 ARG+ HA . . . 1 . 10 ARG+ HN . . rr_1gw3 1 300 1 OR . 1 1 10 10 ARG HA H . . . 1 1 10 10 ARG HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 10 ARG HA . . A . 10 ARG HB2 . 1 . 10 ARG+ HA . . . 1 . 10 ARG+ HB* . . rr_1gw3 1 300 2 OR . 1 1 10 10 ARG HA H . . . 1 1 10 10 ARG HB3 H . . . . . 2.8 1.8 3.80 . . . . . A . 10 ARG HA . . A . 10 ARG HB3 . 1 . 10 ARG+ HA . . . 1 . 10 ARG+ HB* . . rr_1gw3 1 301 1 . . 1 1 12 12 ARG H H . . . 1 1 11 11 ALA H H . . . . . 5.0 1.8 5.00 . . . . . A . 12 ARG H . . A . 11 ALA H . 1 . 12 ARG+ HN . . . 1 . 11 ALA HN . . rr_1gw3 1 302 1 . . 1 1 10 10 ARG HA H . . . 1 1 11 11 ALA H H . . . . . 3.8 1.8 3.80 . . . . . A . 10 ARG HA . . A . 11 ALA H . 1 . 10 ARG+ HA . . . 1 . 11 ALA HN . . rr_1gw3 1 303 1 . . 1 1 8 8 ARG HA H . . . 1 1 11 11 ALA H H . . . . . 3.8 1.8 3.80 . . . . . A . 8 ARG HA . . A . 11 ALA H . 1 . 8 ARG+ HA . . . 1 . 11 ALA HN . . rr_1gw3 1 304 1 . . 1 1 8 8 ARG HA H . . . 1 1 9 9 ASP H H . . . . . 3.8 1.8 3.80 . . . . . A . 8 ARG HA . . A . 9 ASP H . 1 . 8 ARG+ HA . . . 1 . 9 ASP- HN . . rr_1gw3 1 305 1 . . 1 1 11 11 ALA HA H . . . 1 1 11 11 ALA H H . . . . . 2.8 1.8 3.00 . . . . . A . 11 ALA HA . . A . 11 ALA H . 1 . 11 ALA HA . . . 1 . 11 ALA HN . . rr_1gw3 1 306 1 . . 1 1 12 12 ARG H H . . . 1 1 11 11 ALA HA H . . . . . 3.8 1.8 3.80 . . . . . A . 12 ARG H . . A . 11 ALA HA . 1 . 12 ARG+ HN . . . 1 . 11 ALA HA . . rr_1gw3 1 307 1 . . 1 1 14 14 HIS H H . . . 1 1 11 11 ALA HA H . . . . . 3.8 1.8 3.80 . . . . . A . 14 HIS H . . A . 11 ALA HA . 1 . 14 HIS+ HN . . . 1 . 11 ALA HA . . rr_1gw3 1 308 1 . . 1 1 11 11 ALA MB H . . . 1 1 11 11 ALA H H . . . . . 2.8 1.8 4.80 . . . . . A . 11 ALA MB . . A . 11 ALA H . 1 . 11 ALA HB* . . . 1 . 11 ALA HN . . rr_1gw3 1 309 1 . . 1 1 12 12 ARG H H . . . 1 1 13 13 ALA MB H . . . . . 5.0 1.8 7.00 . . . . . A . 12 ARG H . . A . 13 ALA MB . 1 . 12 ARG+ HN . . . 1 . 13 ALA HB* . . rr_1gw3 1 310 1 OR . 1 1 11 11 ALA H H . . . 1 1 10 10 ARG HB2 H . . . . . 3.8 1.8 4.50 . . . . . A . 11 ALA H . . A . 10 ARG HB2 . 1 . 11 ALA HN . . . 1 . 10 ARG+ HB* . . rr_1gw3 1 310 2 OR . 1 1 10 10 ARG HB3 H . . . 1 1 11 11 ALA H H . . . . . 3.8 1.8 4.50 . . . . . A . 10 ARG HB3 . . A . 11 ALA H . 1 . 10 ARG+ HB* . . . 1 . 11 ALA HN . . rr_1gw3 1 311 1 . . 1 1 35 35 ALA H H . . . 1 1 34 34 ALA H H . . . . . 2.8 1.8 2.80 . . . . . A . 35 ALA H . . A . 34 ALA H . 1 . 35 ALA HN . . . 1 . 34 ALA HN . . rr_1gw3 1 312 1 . . 1 1 35 35 ALA H H . . . 1 1 35 35 ALA MB H . . . . . 2.8 1.8 4.80 . . . . . A . 35 ALA H . . A . 35 ALA MB . 1 . 35 ALA HN . . . 1 . 35 ALA HB* . . rr_1gw3 1 313 1 . . 1 1 35 35 ALA H H . . . 1 1 34 34 ALA HA H . . . . . 3.8 1.8 3.80 . . . . . A . 35 ALA H . . A . 34 ALA HA . 1 . 35 ALA HN . . . 1 . 34 ALA HA . . rr_1gw3 1 314 1 . . 1 1 16 16 ASP H H . . . 1 1 17 17 ALA H H . . . . . 3.8 1.8 3.80 . . . . . A . 16 ASP H . . A . 17 ALA H . 1 . 16 ASP- HN . . . 1 . 17 ALA HN . . rr_1gw3 1 315 1 . . 1 1 15 15 VAL MG1 H . . . 1 1 17 17 ALA H H . . . . . 5.0 1.8 7.00 . . . . . A . 15 VAL MG1 . . A . 17 ALA H . 1 . 15 VAL HG1* . . . 1 . 17 ALA HN . . rr_1gw3 1 316 1 . . 1 1 15 15 VAL MG2 H . . . 1 1 17 17 ALA H H . . . . . 5.0 1.8 7.00 . . . . . A . 15 VAL MG2 . . A . 17 ALA H . 1 . 15 VAL HG2* . . . 1 . 17 ALA HN . . rr_1gw3 1 317 1 . . 1 1 15 15 VAL MG2 H . . . 1 1 14 14 HIS H H . . . . . 5.0 1.8 7.00 . . . . . A . 15 VAL MG2 . . A . 14 HIS H . 1 . 15 VAL HG2* . . . 1 . 14 HIS+ HN . . rr_1gw3 1 318 1 . . 1 1 16 16 ASP H H . . . 1 1 15 15 VAL H H . . . . . 2.8 1.8 2.80 . . . . . A . 16 ASP H . . A . 15 VAL H . 1 . 16 ASP- HN . . . 1 . 15 VAL HN . . rr_1gw3 1 319 1 . . 1 1 30 30 ARG H H . . . 1 1 31 31 GLN H H . . . . . 2.8 1.8 2.80 . . . . . A . 30 ARG H . . A . 31 GLN H . 1 . 30 ARG+ HN . . . 1 . 31 GLN HN . . rr_1gw3 1 320 1 . . 1 1 12 12 ARG H H . . . 1 1 13 13 ALA H H . . . . . 3.8 1.8 3.80 . . . . . A . 12 ARG H . . A . 13 ALA H . 1 . 12 ARG+ HN . . . 1 . 13 ALA HN . . rr_1gw3 1 321 1 . . 1 1 30 30 ARG HA H . . . 1 1 30 30 ARG H H . . . . . 2.8 1.8 3.00 . . . . . A . 30 ARG HA . . A . 30 ARG H . 1 . 30 ARG+ HA . . . 1 . 30 ARG+ HN . . rr_1gw3 1 322 1 OR . 1 1 30 30 ARG H H . . . 1 1 30 30 ARG HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 30 ARG H . . A . 30 ARG HB2 . 1 . 30 ARG+ HN . . . 1 . 30 ARG+ HB* . . rr_1gw3 1 322 2 OR . 1 1 30 30 ARG H H . . . 1 1 30 30 ARG HB3 H . . . . . 2.8 1.8 3.80 . . . . . A . 30 ARG H . . A . 30 ARG HB3 . 1 . 30 ARG+ HN . . . 1 . 30 ARG+ HB* . . rr_1gw3 1 323 1 OR . 1 1 30 30 ARG H H . . . 1 1 29 29 LEU HB2 H . . . . . 3.8 1.8 4.50 . . . . . A . 30 ARG H . . A . 29 LEU HB2 . 1 . 30 ARG+ HN . . . 1 . 29 LEU HB* . . rr_1gw3 1 323 2 OR . 1 1 30 30 ARG H H . . . 1 1 29 29 LEU HB3 H . . . . . 3.8 1.8 4.50 . . . . . A . 30 ARG H . . A . 29 LEU HB3 . 1 . 30 ARG+ HN . . . 1 . 29 LEU HB* . . rr_1gw3 1 324 1 . . 1 1 36 36 ARG H H . . . 1 1 37 37 LEU H H . . . . . 2.8 1.8 2.80 . . . . . A . 36 ARG H . . A . 37 LEU H . 1 . 36 ARG+ HN . . . 1 . 37 LEU HN . . rr_1gw3 1 325 1 . . 1 1 38 38 GLU H H . . . 1 1 37 37 LEU H H . . . . . 3.8 1.8 3.80 . . . . . A . 38 GLU H . . A . 37 LEU H . 1 . 38 GLU- HN . . . 1 . 37 LEU HN . . rr_1gw3 1 326 1 . . 1 1 31 31 GLN H H . . . 1 1 32 32 ARG H H . . . . . 2.8 1.8 2.80 . . . . . A . 31 GLN H . . A . 32 ARG H . 1 . 31 GLN HN . . . 1 . 32 ARG+ HN . . rr_1gw3 1 327 1 . . 1 1 31 31 GLN HA H . . . 1 1 31 31 GLN H H . . . . . 2.8 1.8 3.00 . . . . . A . 31 GLN HA . . A . 31 GLN H . 1 . 31 GLN HA . . . 1 . 31 GLN HN . . rr_1gw3 1 328 1 OR . 1 1 31 31 GLN H H . . . 1 1 31 31 GLN HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 31 GLN H . . A . 31 GLN HB2 . 1 . 31 GLN HN . . . 1 . 31 GLN HB* . . rr_1gw3 1 328 2 OR . 1 1 31 31 GLN HB3 H . . . 1 1 31 31 GLN H H . . . . . 2.8 1.8 3.80 . . . . . A . 31 GLN HB3 . . A . 31 GLN H . 1 . 31 GLN HB* . . . 1 . 31 GLN HN . . rr_1gw3 1 329 1 . . 1 1 31 31 GLN HG3 H . . . 1 1 31 31 GLN H H . . . . . 3.8 1.8 3.80 . . . . . A . 31 GLN HG3 . . A . 31 GLN H . 1 . 31 GLN HG1 . . . 1 . 31 GLN HN . . rr_1gw3 1 330 1 . . 1 1 31 31 GLN HG2 H . . . 1 1 31 31 GLN H H . . . . . 5.0 1.8 5.00 . . . . . A . 31 GLN HG2 . . A . 31 GLN H . 1 . 31 GLN HG2 . . . 1 . 31 GLN HN . . rr_1gw3 1 331 1 OR . 1 1 31 31 GLN H H . . . 1 1 30 30 ARG HB2 H . . . . . 3.8 1.8 4.50 . . . . . A . 31 GLN H . . A . 30 ARG HB2 . 1 . 31 GLN HN . . . 1 . 30 ARG+ HB* . . rr_1gw3 1 331 2 OR . 1 1 30 30 ARG HB3 H . . . 1 1 31 31 GLN H H . . . . . 3.8 1.8 4.50 . . . . . A . 30 ARG HB3 . . A . 31 GLN H . 1 . 30 ARG+ HB* . . . 1 . 31 GLN HN . . rr_1gw3 1 332 1 . . 1 1 32 32 ARG HA H . . . 1 1 32 32 ARG H H . . . . . 2.8 1.8 3.00 . . . . . A . 32 ARG HA . . A . 32 ARG H . 1 . 32 ARG+ HA . . . 1 . 32 ARG+ HN . . rr_1gw3 1 333 1 . . 1 1 31 31 GLN HA H . . . 1 1 32 32 ARG H H . . . . . 3.8 1.8 3.80 . . . . . A . 31 GLN HA . . A . 32 ARG H . 1 . 31 GLN HA . . . 1 . 32 ARG+ HN . . rr_1gw3 1 334 1 OR . 1 1 32 32 ARG HA H . . . 1 1 32 32 ARG HD2 H . . . . . 5.0 1.8 6.00 . . . . . A . 32 ARG HA . . A . 32 ARG HD2 . 1 . 32 ARG+ HA . . . 1 . 32 ARG+ HD* . . rr_1gw3 1 334 2 OR . 1 1 32 32 ARG HA H . . . 1 1 32 32 ARG HD3 H . . . . . 5.0 1.8 6.00 . . . . . A . 32 ARG HA . . A . 32 ARG HD3 . 1 . 32 ARG+ HA . . . 1 . 32 ARG+ HD* . . rr_1gw3 1 335 1 . . 1 1 32 32 ARG HA H . . . 1 1 32 32 ARG HB3 H . . . . . 2.8 1.8 3.00 . . . . . A . 32 ARG HA . . A . 32 ARG HB3 . 1 . 32 ARG+ HA . . . 1 . 32 ARG+ HB1 . . rr_1gw3 1 336 1 . . 1 1 32 32 ARG HA H . . . 1 1 32 32 ARG HB2 H . . . . . 2.8 1.8 3.00 . . . . . A . 32 ARG HA . . A . 32 ARG HB2 . 1 . 32 ARG+ HA . . . 1 . 32 ARG+ HB2 . . rr_1gw3 1 337 1 OR . 1 1 32 32 ARG HA H . . . 1 1 32 32 ARG HG2 H . . . . . 3.8 1.8 4.50 . . . . . A . 32 ARG HA . . A . 32 ARG HG2 . 1 . 32 ARG+ HA . . . 1 . 32 ARG+ HG* . . rr_1gw3 1 337 2 OR . 1 1 32 32 ARG HA H . . . 1 1 32 32 ARG HG3 H . . . . . 3.8 1.8 4.50 . . . . . A . 32 ARG HA . . A . 32 ARG HG3 . 1 . 32 ARG+ HA . . . 1 . 32 ARG+ HG* . . rr_1gw3 1 338 1 OR . 1 1 32 32 ARG H H . . . 1 1 31 31 GLN HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 32 ARG H . . A . 31 GLN HB2 . 1 . 32 ARG+ HN . . . 1 . 31 GLN HB* . . rr_1gw3 1 338 2 OR . 1 1 31 31 GLN HB3 H . . . 1 1 32 32 ARG H H . . . . . 2.8 1.8 3.80 . . . . . A . 31 GLN HB3 . . A . 32 ARG H . 1 . 31 GLN HB* . . . 1 . 32 ARG+ HN . . rr_1gw3 1 339 1 OR . 1 1 32 32 ARG H H . . . 1 1 32 32 ARG HG2 H . . . . . 3.8 1.8 4.50 . . . . . A . 32 ARG H . . A . 32 ARG HG2 . 1 . 32 ARG+ HN . . . 1 . 32 ARG+ HG* . . rr_1gw3 1 339 2 OR . 1 1 32 32 ARG HG3 H . . . 1 1 32 32 ARG H H . . . . . 3.8 1.8 4.50 . . . . . A . 32 ARG HG3 . . A . 32 ARG H . 1 . 32 ARG+ HG* . . . 1 . 32 ARG+ HN . . rr_1gw3 1 340 1 . . 1 1 33 33 LEU H H . . . 1 1 33 33 LEU HA H . . . . . 2.8 1.8 3.00 . . . . . A . 33 LEU H . . A . 33 LEU HA . 1 . 33 LEU HN . . . 1 . 33 LEU HA . . rr_1gw3 1 341 1 OR . 1 1 33 33 LEU HA H . . . 1 1 33 33 LEU HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 33 LEU HA . . A . 33 LEU HB2 . 1 . 33 LEU HA . . . 1 . 33 LEU HB* . . rr_1gw3 1 341 2 OR . 1 1 33 33 LEU HB3 H . . . 1 1 33 33 LEU HA H . . . . . 2.8 1.8 3.80 . . . . . A . 33 LEU HB3 . . A . 33 LEU HA . 1 . 33 LEU HB* . . . 1 . 33 LEU HA . . rr_1gw3 1 342 1 . . 1 1 33 33 LEU HG H . . . 1 1 33 33 LEU HA H . . . . . 3.8 1.8 3.80 . . . . . A . 33 LEU HG . . A . 33 LEU HA . 1 . 33 LEU HG . . . 1 . 33 LEU HA . . rr_1gw3 1 343 1 OR . 1 1 33 33 LEU HA H . . . 1 1 33 33 LEU MD1 H . . . . . 3.8 1.8 6.40 . . . . . A . 33 LEU HA . . A . 33 LEU MD1 . 1 . 33 LEU HA . . . 1 . 33 LEU HD* . . rr_1gw3 1 343 2 OR . 1 1 33 33 LEU MD2 H . . . 1 1 33 33 LEU HA H . . . . . 3.8 1.8 6.40 . . . . . A . 33 LEU MD2 . . A . 33 LEU HA . 1 . 33 LEU HD* . . . 1 . 33 LEU HA . . rr_1gw3 1 344 1 . . 1 1 8 8 ARG H H . . . 1 1 5 5 GLU HA H . . . . . 3.8 1.8 3.80 . . . . . A . 8 ARG H . . A . 5 GLU HA . 1 . 8 ARG+ HN . . . 1 . 5 GLU- HA . . rr_1gw3 1 345 1 . . 1 1 18 18 LEU H H . . . 1 1 17 17 ALA H H . . . . . 3.8 1.8 3.80 . . . . . A . 18 LEU H . . A . 17 ALA H . 1 . 18 LEU HN . . . 1 . 17 ALA HN . . rr_1gw3 1 346 1 . . 1 1 38 38 GLU H H . . . 1 1 39 39 ALA H H . . . . . 2.8 1.8 2.80 . . . . . A . 38 GLU H . . A . 39 ALA H . 1 . 38 GLU- HN . . . 1 . 39 ALA HN . . rr_1gw3 1 347 1 . . 1 1 39 39 ALA H H . . . 1 1 40 40 LEU H H . . . . . 3.8 1.8 3.80 . . . . . A . 39 ALA H . . A . 40 LEU H . 1 . 39 ALA HN . . . 1 . 40 LEU HN . . rr_1gw3 1 348 1 . . 1 1 41 41 LYS H H . . . 1 1 42 42 GLU H H . . . . . 2.8 1.8 2.80 . . . . . A . 41 LYS H . . A . 42 GLU H . 1 . 41 LYS+ HN . . . 1 . 42 GLU- HN . . rr_1gw3 1 349 1 . . 1 1 39 39 ALA H H . . . 1 1 41 41 LYS H H . . . . . 3.8 1.8 3.80 . . . . . A . 39 ALA H . . A . 41 LYS H . 1 . 39 ALA HN . . . 1 . 41 LYS+ HN . . rr_1gw3 1 350 1 . . 1 1 19 19 ARG H H . . . 1 1 19 19 ARG HA H . . . . . 2.8 1.8 2.90 . . . . . A . 19 ARG H . . A . 19 ARG HA . 1 . 19 ARG+ HN . . . 1 . 19 ARG+ HA . . rr_1gw3 1 351 1 . . 1 1 19 19 ARG HA H . . . 1 1 18 18 LEU MD2 H . . . . . 3.8 1.8 5.50 . . . . . A . 19 ARG HA . . A . 18 LEU MD2 . 1 . 19 ARG+ HA . . . 1 . 18 LEU HD2* . . rr_1gw3 1 352 1 . . 1 1 19 19 ARG HB3 H . . . 1 1 19 19 ARG HA H . . . . . 3.8 1.8 3.80 . . . . . A . 19 ARG HB3 . . A . 19 ARG HA . 1 . 19 ARG+ HB1 . . . 1 . 19 ARG+ HA . . rr_1gw3 1 353 1 . . 1 1 19 19 ARG HG3 H . . . 1 1 19 19 ARG HA H . . . . . 3.8 1.8 3.80 . . . . . A . 19 ARG HG3 . . A . 19 ARG HA . 1 . 19 ARG+ HG1 . . . 1 . 19 ARG+ HA . . rr_1gw3 1 354 1 . . 1 1 19 19 ARG HG2 H . . . 1 1 19 19 ARG HA H . . . . . 3.8 1.8 3.80 . . . . . A . 19 ARG HG2 . . A . 19 ARG HA . 1 . 19 ARG+ HG2 . . . 1 . 19 ARG+ HA . . rr_1gw3 1 355 1 . . 1 1 16 16 ASP H H . . . 1 1 16 16 ASP HA H . . . . . 2.8 1.8 3.00 . . . . . A . 16 ASP H . . A . 16 ASP HA . 1 . 16 ASP- HN . . . 1 . 16 ASP- HA . . rr_1gw3 1 356 1 OR . 1 1 27 27 ASP HA H . . . 1 1 27 27 ASP HB2 H . . . . . 3.8 1.8 4.80 . . . . . A . 27 ASP HA . . A . 27 ASP HB2 . 1 . 27 ASP- HA . . . 1 . 27 ASP- HB* . . rr_1gw3 1 356 2 OR . 1 1 27 27 ASP HA H . . . 1 1 27 27 ASP HB3 H . . . . . 3.8 1.8 4.80 . . . . . A . 27 ASP HA . . A . 27 ASP HB3 . 1 . 27 ASP- HA . . . 1 . 27 ASP- HB* . . rr_1gw3 1 357 1 . . 1 1 27 27 ASP H H . . . 1 1 27 27 ASP HA H . . . . . 2.8 1.8 3.00 . . . . . A . 27 ASP H . . A . 27 ASP HA . 1 . 27 ASP- HN . . . 1 . 27 ASP- HA . . rr_1gw3 1 358 1 OR . 1 1 27 27 ASP H H . . . 1 1 26 26 SER HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 27 ASP H . . A . 26 SER HB2 . 1 . 27 ASP- HN . . . 1 . 26 SER HB* . . rr_1gw3 1 358 2 OR . 1 1 26 26 SER HB3 H . . . 1 1 27 27 ASP H H . . . . . 2.8 1.8 3.80 . . . . . A . 26 SER HB3 . . A . 27 ASP H . 1 . 26 SER HB* . . . 1 . 27 ASP- HN . . rr_1gw3 1 359 1 OR . 1 1 26 26 SER H H . . . 1 1 26 26 SER HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 26 SER H . . A . 26 SER HB2 . 1 . 26 SER HN . . . 1 . 26 SER HB* . . rr_1gw3 1 359 2 OR . 1 1 26 26 SER HB3 H . . . 1 1 26 26 SER H H . . . . . 2.8 1.8 3.80 . . . . . A . 26 SER HB3 . . A . 26 SER H . 1 . 26 SER HB* . . . 1 . 26 SER HN . . rr_1gw3 1 360 1 . . 1 1 27 27 ASP HA H . . . 1 1 31 31 GLN H H . . . . . 5.0 1.8 5.00 . . . . . A . 27 ASP HA . . A . 31 GLN H . 1 . 27 ASP- HA . . . 1 . 31 GLN HN . . rr_1gw3 1 361 1 . . 1 1 24 24 PRO HB2 H . . . 1 1 25 25 TYR QE H . . . . . 6.0 1.8 8.00 . . . . . A . 24 PRO HB2 . . A . 25 TYR QE . 1 . 24 PRO HB2 . . . 1 . 25 TYR HE* . . rr_1gw3 1 362 1 . . 1 1 29 29 LEU H H . . . 1 1 29 29 LEU HA H . . . . . 2.8 1.8 3.00 . . . . . A . 29 LEU H . . A . 29 LEU HA . 1 . 29 LEU HN . . . 1 . 29 LEU HA . . rr_1gw3 1 363 1 OR . 1 1 29 29 LEU HA H . . . 1 1 29 29 LEU HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 29 LEU HA . . A . 29 LEU HB2 . 1 . 29 LEU HA . . . 1 . 29 LEU HB* . . rr_1gw3 1 363 2 OR . 1 1 29 29 LEU HB3 H . . . 1 1 29 29 LEU HA H . . . . . 2.8 1.8 3.80 . . . . . A . 29 LEU HB3 . . A . 29 LEU HA . 1 . 29 LEU HB* . . . 1 . 29 LEU HA . . rr_1gw3 1 364 1 . . 1 1 29 29 LEU HA H . . . 1 1 29 29 LEU HG H . . . . . 3.8 1.8 3.80 . . . . . A . 29 LEU HA . . A . 29 LEU HG . 1 . 29 LEU HA . . . 1 . 29 LEU HG . . rr_1gw3 1 365 1 . . 1 1 28 28 GLU H H . . . 1 1 28 28 GLU HA H . . . . . 3.8 1.8 3.80 . . . . . A . 28 GLU H . . A . 28 GLU HA . 1 . 28 GLU- HN . . . 1 . 28 GLU- HA . . rr_1gw3 1 366 1 . . 1 1 28 28 GLU H H . . . 1 1 28 28 GLU HB3 H . . . . . 2.8 1.8 2.80 . . . . . A . 28 GLU H . . A . 28 GLU HB3 . 1 . 28 GLU- HN . . . 1 . 28 GLU- HB1 . . rr_1gw3 1 367 1 . . 1 1 28 28 GLU H H . . . 1 1 28 28 GLU HB2 H . . . . . 2.8 1.8 2.80 . . . . . A . 28 GLU H . . A . 28 GLU HB2 . 1 . 28 GLU- HN . . . 1 . 28 GLU- HB2 . . rr_1gw3 1 368 1 OR . 1 1 28 28 GLU H H . . . 1 1 28 28 GLU HG2 H . . . . . 5.0 1.8 6.00 . . . . . A . 28 GLU H . . A . 28 GLU HG2 . 1 . 28 GLU- HN . . . 1 . 28 GLU- HG* . . rr_1gw3 1 368 2 OR . 1 1 28 28 GLU H H . . . 1 1 28 28 GLU HG3 H . . . . . 5.0 1.8 6.00 . . . . . A . 28 GLU H . . A . 28 GLU HG3 . 1 . 28 GLU- HN . . . 1 . 28 GLU- HG* . . rr_1gw3 1 369 1 . . 1 1 28 28 GLU HB3 H . . . 1 1 28 28 GLU HA H . . . . . 2.8 1.8 3.00 . . . . . A . 28 GLU HB3 . . A . 28 GLU HA . 1 . 28 GLU- HB1 . . . 1 . 28 GLU- HA . . rr_1gw3 1 370 1 . . 1 1 28 28 GLU HB2 H . . . 1 1 28 28 GLU HA H . . . . . 3.8 1.8 3.80 . . . . . A . 28 GLU HB2 . . A . 28 GLU HA . 1 . 28 GLU- HB2 . . . 1 . 28 GLU- HA . . rr_1gw3 1 371 1 OR . 1 1 29 29 LEU H H . . . 1 1 29 29 LEU HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 29 LEU H . . A . 29 LEU HB2 . 1 . 29 LEU HN . . . 1 . 29 LEU HB* . . rr_1gw3 1 371 2 OR . 1 1 29 29 LEU H H . . . 1 1 29 29 LEU HB3 H . . . . . 2.8 1.8 3.80 . . . . . A . 29 LEU H . . A . 29 LEU HB3 . 1 . 29 LEU HN . . . 1 . 29 LEU HB* . . rr_1gw3 1 372 1 . . 1 1 29 29 LEU H H . . . 1 1 29 29 LEU HG H . . . . . 3.8 1.8 3.80 . . . . . A . 29 LEU H . . A . 29 LEU HG . 1 . 29 LEU HN . . . 1 . 29 LEU HG . . rr_1gw3 1 373 1 . . 1 1 28 28 GLU HB3 H . . . 1 1 29 29 LEU H H . . . . . 3.8 1.8 3.80 . . . . . A . 28 GLU HB3 . . A . 29 LEU H . 1 . 28 GLU- HB1 . . . 1 . 29 LEU HN . . rr_1gw3 1 374 1 . . 1 1 36 36 ARG H H . . . 1 1 33 33 LEU HA H . . . . . 5.0 1.8 5.00 . . . . . A . 36 ARG H . . A . 33 LEU HA . 1 . 36 ARG+ HN . . . 1 . 33 LEU HA . . rr_1gw3 1 375 1 . . 1 1 36 36 ARG HB3 H . . . 1 1 33 33 LEU HA H . . . . . 3.8 1.8 3.80 . . . . . A . 36 ARG HB3 . . A . 33 LEU HA . 1 . 36 ARG+ HB1 . . . 1 . 33 LEU HA . . rr_1gw3 1 376 1 . . 1 1 34 34 ALA H H . . . 1 1 34 34 ALA HA H . . . . . 2.8 1.8 3.00 . . . . . A . 34 ALA H . . A . 34 ALA HA . 1 . 34 ALA HN . . . 1 . 34 ALA HA . . rr_1gw3 1 377 1 . . 1 1 34 34 ALA MB H . . . 1 1 34 34 ALA HA H . . . . . 2.8 1.8 4.80 . . . . . A . 34 ALA MB . . A . 34 ALA HA . 1 . 34 ALA HB* . . . 1 . 34 ALA HA . . rr_1gw3 1 378 1 OR . 1 1 34 34 ALA HA H . . . 1 1 37 37 LEU MD1 H . . . . . 3.8 1.8 6.40 . . . . . A . 34 ALA HA . . A . 37 LEU MD1 . 1 . 34 ALA HA . . . 1 . 37 LEU HD* . . rr_1gw3 1 378 2 OR . 1 1 34 34 ALA HA H . . . 1 1 37 37 LEU MD2 H . . . . . 3.8 1.8 6.40 . . . . . A . 34 ALA HA . . A . 37 LEU MD2 . 1 . 34 ALA HA . . . 1 . 37 LEU HD* . . rr_1gw3 1 379 1 . . 1 1 34 34 ALA MB H . . . 1 1 34 34 ALA H H . . . . . 2.8 1.8 4.80 . . . . . A . 34 ALA MB . . A . 34 ALA H . 1 . 34 ALA HB* . . . 1 . 34 ALA HN . . rr_1gw3 1 380 1 OR . 1 1 34 34 ALA H H . . . 1 1 33 33 LEU HB2 H . . . . . 3.8 1.8 4.50 . . . . . A . 34 ALA H . . A . 33 LEU HB2 . 1 . 34 ALA HN . . . 1 . 33 LEU HB* . . rr_1gw3 1 380 2 OR . 1 1 33 33 LEU HB3 H . . . 1 1 34 34 ALA H H . . . . . 3.8 1.8 4.50 . . . . . A . 33 LEU HB3 . . A . 34 ALA H . 1 . 33 LEU HB* . . . 1 . 34 ALA HN . . rr_1gw3 1 381 1 OR . 1 1 34 34 ALA HA H . . . 1 1 37 37 LEU HB2 H . . . . . 3.8 1.8 4.50 . . . . . A . 34 ALA HA . . A . 37 LEU HB2 . 1 . 34 ALA HA . . . 1 . 37 LEU HB* . . rr_1gw3 1 381 2 OR . 1 1 34 34 ALA HA H . . . 1 1 37 37 LEU HB3 H . . . . . 3.8 1.8 4.50 . . . . . A . 34 ALA HA . . A . 37 LEU HB3 . 1 . 34 ALA HA . . . 1 . 37 LEU HB* . . rr_1gw3 1 382 1 . . 1 1 36 36 ARG HA H . . . 1 1 39 39 ALA MB H . . . . . 5.0 1.8 6.00 . . . . . A . 36 ARG HA . . A . 39 ALA MB . 1 . 36 ARG+ HA . . . 1 . 39 ALA HB* . . rr_1gw3 1 383 1 . . 1 1 36 36 ARG HA H . . . 1 1 37 37 LEU H H . . . . . 5.0 1.8 5.00 . . . . . A . 36 ARG HA . . A . 37 LEU H . 1 . 36 ARG+ HA . . . 1 . 37 LEU HN . . rr_1gw3 1 384 1 . . 1 1 36 36 ARG HA H . . . 1 1 36 36 ARG HD3 H . . . . . 3.8 1.8 3.80 . . . . . A . 36 ARG HA . . A . 36 ARG HD3 . 1 . 36 ARG+ HA . . . 1 . 36 ARG+ HD1 . . rr_1gw3 1 385 1 . . 1 1 36 36 ARG HA H . . . 1 1 36 36 ARG HD2 H . . . . . 3.8 1.8 3.80 . . . . . A . 36 ARG HA . . A . 36 ARG HD2 . 1 . 36 ARG+ HA . . . 1 . 36 ARG+ HD2 . . rr_1gw3 1 386 1 . . 1 1 36 36 ARG HB2 H . . . 1 1 37 37 LEU H H . . . . . 3.8 1.8 3.80 . . . . . A . 36 ARG HB2 . . A . 37 LEU H . 1 . 36 ARG+ HB2 . . . 1 . 37 LEU HN . . rr_1gw3 1 387 1 . . 1 1 36 36 ARG HB3 H . . . 1 1 37 37 LEU H H . . . . . 2.8 1.8 2.90 . . . . . A . 36 ARG HB3 . . A . 37 LEU H . 1 . 36 ARG+ HB1 . . . 1 . 37 LEU HN . . rr_1gw3 1 388 1 . . 1 1 37 37 LEU HA H . . . 1 1 40 40 LEU H H . . . . . 3.8 1.8 3.80 . . . . . A . 37 LEU HA . . A . 40 LEU H . 1 . 37 LEU HA . . . 1 . 40 LEU HN . . rr_1gw3 1 389 1 OR . 1 1 37 37 LEU HA H . . . 1 1 37 37 LEU HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 37 LEU HA . . A . 37 LEU HB2 . 1 . 37 LEU HA . . . 1 . 37 LEU HB* . . rr_1gw3 1 389 2 OR . 1 1 37 37 LEU HA H . . . 1 1 37 37 LEU HB3 H . . . . . 2.8 1.8 3.80 . . . . . A . 37 LEU HA . . A . 37 LEU HB3 . 1 . 37 LEU HA . . . 1 . 37 LEU HB* . . rr_1gw3 1 390 1 . . 1 1 37 37 LEU HA H . . . 1 1 37 37 LEU HG H . . . . . 3.8 1.8 3.80 . . . . . A . 37 LEU HA . . A . 37 LEU HG . 1 . 37 LEU HA . . . 1 . 37 LEU HG . . rr_1gw3 1 391 1 . . 1 1 40 40 LEU H H . . . 1 1 40 40 LEU HB3 H . . . . . 2.8 1.8 3.00 . . . . . A . 40 LEU H . . A . 40 LEU HB3 . 1 . 40 LEU HN . . . 1 . 40 LEU HB1 . . rr_1gw3 1 392 1 . . 1 1 40 40 LEU H H . . . 1 1 40 40 LEU HB2 H . . . . . 2.8 1.8 3.00 . . . . . A . 40 LEU H . . A . 40 LEU HB2 . 1 . 40 LEU HN . . . 1 . 40 LEU HB2 . . rr_1gw3 1 393 1 . . 1 1 40 40 LEU H H . . . 1 1 40 40 LEU HG H . . . . . 5.0 1.8 5.00 . . . . . A . 40 LEU H . . A . 40 LEU HG . 1 . 40 LEU HN . . . 1 . 40 LEU HG . . rr_1gw3 1 394 1 OR . 1 1 40 40 LEU H H . . . 1 1 40 40 LEU MD1 H . . . . . 5.0 1.8 7.90 . . . . . A . 40 LEU H . . A . 40 LEU MD1 . 1 . 40 LEU HN . . . 1 . 40 LEU HD* . . rr_1gw3 1 394 2 OR . 1 1 40 40 LEU H H . . . 1 1 40 40 LEU MD2 H . . . . . 5.0 1.8 7.90 . . . . . A . 40 LEU H . . A . 40 LEU MD2 . 1 . 40 LEU HN . . . 1 . 40 LEU HD* . . rr_1gw3 1 395 1 . . 1 1 38 38 GLU HA H . . . 1 1 41 41 LYS H H . . . . . 5.0 1.8 6.00 . . . . . A . 38 GLU HA . . A . 41 LYS H . 1 . 38 GLU- HA . . . 1 . 41 LYS+ HN . . rr_1gw3 1 396 1 . . 1 1 38 38 GLU HA H . . . 1 1 39 39 ALA H H . . . . . 3.8 1.8 3.80 . . . . . A . 38 GLU HA . . A . 39 ALA H . 1 . 38 GLU- HA . . . 1 . 39 ALA HN . . rr_1gw3 1 397 1 OR . 1 1 38 38 GLU HA H . . . 1 1 38 38 GLU HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 38 GLU HA . . A . 38 GLU HB2 . 1 . 38 GLU- HA . . . 1 . 38 GLU- HB* . . rr_1gw3 1 397 2 OR . 1 1 38 38 GLU HA H . . . 1 1 38 38 GLU HB3 H . . . . . 2.8 1.8 3.80 . . . . . A . 38 GLU HA . . A . 38 GLU HB3 . 1 . 38 GLU- HA . . . 1 . 38 GLU- HB* . . rr_1gw3 1 398 1 OR . 1 1 38 38 GLU HA H . . . 1 1 38 38 GLU HG2 H . . . . . 3.8 1.8 4.50 . . . . . A . 38 GLU HA . . A . 38 GLU HG2 . 1 . 38 GLU- HA . . . 1 . 38 GLU- HG* . . rr_1gw3 1 398 2 OR . 1 1 38 38 GLU HA H . . . 1 1 38 38 GLU HG3 H . . . . . 3.8 1.8 4.50 . . . . . A . 38 GLU HA . . A . 38 GLU HG3 . 1 . 38 GLU- HA . . . 1 . 38 GLU- HG* . . rr_1gw3 1 399 1 . . 1 1 39 39 ALA H H . . . 1 1 39 39 ALA MB H . . . . . 2.8 1.8 4.80 . . . . . A . 39 ALA H . . A . 39 ALA MB . 1 . 39 ALA HN . . . 1 . 39 ALA HB* . . rr_1gw3 1 400 1 OR . 1 1 39 39 ALA H H . . . 1 1 38 38 GLU HG2 H . . . . . 5.0 1.8 6.00 . . . . . A . 39 ALA H . . A . 38 GLU HG2 . 1 . 39 ALA HN . . . 1 . 38 GLU- HG* . . rr_1gw3 1 400 2 OR . 1 1 39 39 ALA H H . . . 1 1 38 38 GLU HG3 H . . . . . 5.0 1.8 6.00 . . . . . A . 39 ALA H . . A . 38 GLU HG3 . 1 . 39 ALA HN . . . 1 . 38 GLU- HG* . . rr_1gw3 1 401 1 OR . 1 1 39 39 ALA H H . . . 1 1 38 38 GLU HB2 H . . . . . 3.8 1.8 4.50 . . . . . A . 39 ALA H . . A . 38 GLU HB2 . 1 . 39 ALA HN . . . 1 . 38 GLU- HB* . . rr_1gw3 1 401 2 OR . 1 1 39 39 ALA H H . . . 1 1 38 38 GLU HB3 H . . . . . 3.8 1.8 4.50 . . . . . A . 39 ALA H . . A . 38 GLU HB3 . 1 . 39 ALA HN . . . 1 . 38 GLU- HB* . . rr_1gw3 1 402 1 . . 1 1 40 40 LEU HB3 H . . . 1 1 40 40 LEU HA H . . . . . 2.8 1.8 3.00 . . . . . A . 40 LEU HB3 . . A . 40 LEU HA . 1 . 40 LEU HB1 . . . 1 . 40 LEU HA . . rr_1gw3 1 403 1 . . 1 1 39 39 ALA H H . . . 1 1 39 39 ALA HA H . . . . . 3.0 1.8 3.00 . . . . . A . 39 ALA H . . A . 39 ALA HA . 1 . 39 ALA HN . . . 1 . 39 ALA HA . . rr_1gw3 1 404 1 . . 1 1 37 37 LEU HA H . . . 1 1 39 39 ALA H H . . . . . 5.0 1.8 5.00 . . . . . A . 37 LEU HA . . A . 39 ALA H . 1 . 37 LEU HA . . . 1 . 39 ALA HN . . rr_1gw3 1 405 1 . . 1 1 40 40 LEU HG H . . . 1 1 40 40 LEU HA H . . . . . 3.8 1.8 3.80 . . . . . A . 40 LEU HG . . A . 40 LEU HA . 1 . 40 LEU HG . . . 1 . 40 LEU HA . . rr_1gw3 1 406 1 . . 1 1 3 3 LEU H H . . . 1 1 2 2 PRO HA H . . . . . 2.8 1.8 2.80 . . . . . A . 3 LEU H . . A . 2 PRO HA . 1 . 3 LEU HN . . . 1 . 2 PRO HA . . rr_1gw3 1 407 1 OR . 1 1 2 2 PRO HA H . . . 1 1 2 2 PRO HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 2 PRO HA . . A . 2 PRO HB2 . 1 . 2 PRO HA . . . 1 . 2 PRO HB* . . rr_1gw3 1 407 2 OR . 1 1 2 2 PRO HA H . . . 1 1 2 2 PRO HB3 H . . . . . 2.8 1.8 3.80 . . . . . A . 2 PRO HA . . A . 2 PRO HB3 . 1 . 2 PRO HA . . . 1 . 2 PRO HB* . . rr_1gw3 1 408 1 OR . 1 1 2 2 PRO HA H . . . 1 1 2 2 PRO HG2 H . . . . . 3.8 1.8 4.50 . . . . . A . 2 PRO HA . . A . 2 PRO HG2 . 1 . 2 PRO HA . . . 1 . 2 PRO HG* . . rr_1gw3 1 408 2 OR . 1 1 2 2 PRO HA H . . . 1 1 2 2 PRO HG3 H . . . . . 3.8 1.8 4.50 . . . . . A . 2 PRO HA . . A . 2 PRO HG3 . 1 . 2 PRO HA . . . 1 . 2 PRO HG* . . rr_1gw3 1 409 1 . . 1 1 2 2 PRO HA H . . . 1 1 2 2 PRO HD3 H . . . . . 3.8 1.8 5.00 . . . . . A . 2 PRO HA . . A . 2 PRO HD3 . 1 . 2 PRO HA . . . 1 . 2 PRO HD1 . . rr_1gw3 1 410 1 . . 1 1 2 2 PRO HA H . . . 1 1 2 2 PRO HD2 H . . . . . 3.8 1.8 5.00 . . . . . A . 2 PRO HA . . A . 2 PRO HD2 . 1 . 2 PRO HA . . . 1 . 2 PRO HD2 . . rr_1gw3 1 411 1 . . 1 1 3 3 LEU H H . . . 1 1 3 3 LEU HA H . . . . . 3.8 1.8 3.80 . . . . . A . 3 LEU H . . A . 3 LEU HA . 1 . 3 LEU HN . . . 1 . 3 LEU HA . . rr_1gw3 1 412 1 . . 1 1 4 4 GLY H H . . . 1 1 5 5 GLU H H . . . . . 2.8 1.8 2.80 . . . . . A . 4 GLY H . . A . 5 GLU H . 1 . 4 GLY HN . . . 1 . 5 GLU- HN . . rr_1gw3 1 413 1 . . 1 1 3 3 LEU HA H . . . 1 1 4 4 GLY H H . . . . . 3.8 1.8 3.80 . . . . . A . 3 LEU HA . . A . 4 GLY H . 1 . 3 LEU HA . . . 1 . 4 GLY HN . . rr_1gw3 1 414 1 . . 1 1 3 3 LEU HA H . . . 1 1 3 3 LEU HB3 H . . . . . 3.8 1.8 3.80 . . . . . A . 3 LEU HA . . A . 3 LEU HB3 . 1 . 3 LEU HA . . . 1 . 3 LEU HB1 . . rr_1gw3 1 415 1 . . 1 1 3 3 LEU HA H . . . 1 1 3 3 LEU HB2 H . . . . . 3.8 1.8 3.80 . . . . . A . 3 LEU HA . . A . 3 LEU HB2 . 1 . 3 LEU HA . . . 1 . 3 LEU HB2 . . rr_1gw3 1 416 1 . . 1 1 3 3 LEU MD1 H . . . 1 1 3 3 LEU HA H . . . . . 3.8 1.8 5.80 . . . . . A . 3 LEU MD1 . . A . 3 LEU HA . 1 . 3 LEU HD1* . . . 1 . 3 LEU HA . . rr_1gw3 1 417 1 . . 1 1 3 3 LEU HA H . . . 1 1 3 3 LEU MD2 H . . . . . 3.8 1.8 5.80 . . . . . A . 3 LEU HA . . A . 3 LEU MD2 . 1 . 3 LEU HA . . . 1 . 3 LEU HD2* . . rr_1gw3 1 418 1 . . 1 1 4 4 GLY H H . . . 1 1 3 3 LEU HB2 H . . . . . 3.8 1.8 3.80 . . . . . A . 4 GLY H . . A . 3 LEU HB2 . 1 . 4 GLY HN . . . 1 . 3 LEU HB2 . . rr_1gw3 1 419 1 . . 1 1 3 3 LEU H H . . . 1 1 3 3 LEU HB3 H . . . . . 3.8 1.8 3.80 . . . . . A . 3 LEU H . . A . 3 LEU HB3 . 1 . 3 LEU HN . . . 1 . 3 LEU HB1 . . rr_1gw3 1 420 1 . . 1 1 3 3 LEU H H . . . 1 1 3 3 LEU HB2 H . . . . . 3.8 1.8 3.80 . . . . . A . 3 LEU H . . A . 3 LEU HB2 . 1 . 3 LEU HN . . . 1 . 3 LEU HB2 . . rr_1gw3 1 421 1 . . 1 1 5 5 GLU H H . . . 1 1 6 6 GLU H H . . . . . 2.8 1.8 2.80 . . . . . A . 5 GLU H . . A . 6 GLU H . 1 . 5 GLU- HN . . . 1 . 6 GLU- HN . . rr_1gw3 1 422 1 OR . 1 1 5 5 GLU HA H . . . 1 1 5 5 GLU HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 5 GLU HA . . A . 5 GLU HB2 . 1 . 5 GLU- HA . . . 1 . 5 GLU- HB* . . rr_1gw3 1 422 2 OR . 1 1 5 5 GLU HA H . . . 1 1 5 5 GLU HB3 H . . . . . 2.8 1.8 3.80 . . . . . A . 5 GLU HA . . A . 5 GLU HB3 . 1 . 5 GLU- HA . . . 1 . 5 GLU- HB* . . rr_1gw3 1 423 1 . . 1 1 5 5 GLU HA H . . . 1 1 5 5 GLU HG3 H . . . . . 5.0 1.8 5.00 . . . . . A . 5 GLU HA . . A . 5 GLU HG3 . 1 . 5 GLU- HA . . . 1 . 5 GLU- HG1 . . rr_1gw3 1 424 1 OR . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 5 GLU H . . A . 5 GLU HB2 . 1 . 5 GLU- HN . . . 1 . 5 GLU- HB* . . rr_1gw3 1 424 2 OR . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HB3 H . . . . . 2.8 1.8 3.80 . . . . . A . 5 GLU H . . A . 5 GLU HB3 . 1 . 5 GLU- HN . . . 1 . 5 GLU- HB* . . rr_1gw3 1 425 1 . . 1 1 9 9 ASP HB3 H . . . 1 1 6 6 GLU HA H . . . . . 3.8 1.8 3.80 . . . . . A . 9 ASP HB3 . . A . 6 GLU HA . 1 . 9 ASP- HB1 . . . 1 . 6 GLU- HA . . rr_1gw3 1 426 1 . . 1 1 9 9 ASP HB2 H . . . 1 1 6 6 GLU HA H . . . . . 3.8 1.8 3.80 . . . . . A . 9 ASP HB2 . . A . 6 GLU HA . 1 . 9 ASP- HB2 . . . 1 . 6 GLU- HA . . rr_1gw3 1 427 1 . . 1 1 6 6 GLU H H . . . 1 1 6 6 GLU HA H . . . . . 2.8 1.8 2.95 . . . . . A . 6 GLU H . . A . 6 GLU HA . 1 . 6 GLU- HN . . . 1 . 6 GLU- HA . . rr_1gw3 1 428 1 . . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HG3 H . . . . . 5.0 1.8 5.00 . . . . . A . 5 GLU H . . A . 5 GLU HG3 . 1 . 5 GLU- HN . . . 1 . 5 GLU- HG1 . . rr_1gw3 1 429 1 . . 1 1 5 5 GLU H H . . . 1 1 5 5 GLU HG2 H . . . . . 5.0 1.8 5.00 . . . . . A . 5 GLU H . . A . 5 GLU HG2 . 1 . 5 GLU- HN . . . 1 . 5 GLU- HG2 . . rr_1gw3 1 430 1 OR . 1 1 5 5 GLU H H . . . 1 1 4 4 GLY HA2 H . . . . . 3.8 1.8 4.50 . . . . . A . 5 GLU H . . A . 4 GLY HA2 . 1 . 5 GLU- HN . . . 1 . 4 GLY HA* . . rr_1gw3 1 430 2 OR . 1 1 5 5 GLU H H . . . 1 1 4 4 GLY HA3 H . . . . . 3.8 1.8 4.50 . . . . . A . 5 GLU H . . A . 4 GLY HA3 . 1 . 5 GLU- HN . . . 1 . 4 GLY HA* . . rr_1gw3 1 431 1 . . 1 1 5 5 GLU HA H . . . 1 1 5 5 GLU H H . . . . . 3.8 1.8 3.80 . . . . . A . 5 GLU HA . . A . 5 GLU H . 1 . 5 GLU- HA . . . 1 . 5 GLU- HN . . rr_1gw3 1 432 1 . . 1 1 21 21 HIS H H . . . 1 1 17 17 ALA HA H . . . . . 5.0 1.8 5.00 . . . . . A . 21 HIS H . . A . 17 ALA HA . 1 . 21 HIS+ HN . . . 1 . 17 ALA HA . . rr_1gw3 1 433 1 . . 1 1 23 23 ALA H H . . . 1 1 19 19 ARG HA H . . . . . 5.0 1.8 5.00 . . . . . A . 23 ALA H . . A . 19 ARG HA . 1 . 23 ALA HN . . . 1 . 19 ARG+ HA . . rr_1gw3 1 434 1 . . 1 1 37 37 LEU HA H . . . 1 1 41 41 LYS H H . . . . . 5.0 1.8 5.00 . . . . . A . 37 LEU HA . . A . 41 LYS H . 1 . 37 LEU HA . . . 1 . 41 LYS+ HN . . rr_1gw3 1 435 1 . . 1 1 37 37 LEU H H . . . 1 1 33 33 LEU HA H . . . . . 5.0 1.8 5.00 . . . . . A . 37 LEU H . . A . 33 LEU HA . 1 . 37 LEU HN . . . 1 . 33 LEU HA . . rr_1gw3 1 436 1 . . 1 1 7 7 MET H H . . . 1 1 7 7 MET HA H . . . . . 2.8 1.8 3.00 . . . . . A . 7 MET H . . A . 7 MET HA . 1 . 7 MET HN . . . 1 . 7 MET HA . . rr_1gw3 1 437 1 . . 1 1 7 7 MET H H . . . 1 1 7 7 MET HB3 H . . . . . 2.8 1.8 2.80 . . . . . A . 7 MET H . . A . 7 MET HB3 . 1 . 7 MET HN . . . 1 . 7 MET HB1 . . rr_1gw3 1 438 1 . . 1 1 7 7 MET HG3 H . . . 1 1 7 7 MET H H . . . . . 5.0 1.8 5.00 . . . . . A . 7 MET HG3 . . A . 7 MET H . 1 . 7 MET HG1 . . . 1 . 7 MET HN . . rr_1gw3 1 439 1 . . 1 1 7 7 MET HG2 H . . . 1 1 7 7 MET H H . . . . . 5.0 1.8 5.00 . . . . . A . 7 MET HG2 . . A . 7 MET H . 1 . 7 MET HG2 . . . 1 . 7 MET HN . . rr_1gw3 1 440 1 . . 1 1 7 7 MET H H . . . 1 1 6 6 GLU HB3 H . . . . . 3.8 1.8 3.80 . . . . . A . 7 MET H . . A . 6 GLU HB3 . 1 . 7 MET HN . . . 1 . 6 GLU- HB1 . . rr_1gw3 1 441 1 . . 1 1 8 8 ARG H H . . . 1 1 7 7 MET H H . . . . . 2.8 1.8 2.80 . . . . . A . 8 ARG H . . A . 7 MET H . 1 . 8 ARG+ HN . . . 1 . 7 MET HN . . rr_1gw3 1 442 1 OR . 1 1 38 38 GLU H H . . . 1 1 38 38 GLU HB2 H . . . . . 2.8 1.8 3.80 . . . . . A . 38 GLU H . . A . 38 GLU HB2 . 1 . 38 GLU- HN . . . 1 . 38 GLU- HB* . . rr_1gw3 1 442 2 OR . 1 1 38 38 GLU H H . . . 1 1 38 38 GLU HB3 H . . . . . 2.8 1.8 3.80 . . . . . A . 38 GLU H . . A . 38 GLU HB3 . 1 . 38 GLU- HN . . . 1 . 38 GLU- HB* . . rr_1gw3 1 443 1 OR . 1 1 38 38 GLU H H . . . 1 1 38 38 GLU HG2 H . . . . . 3.8 1.8 4.50 . . . . . A . 38 GLU H . . A . 38 GLU HG2 . 1 . 38 GLU- HN . . . 1 . 38 GLU- HG* . . rr_1gw3 1 443 2 OR . 1 1 38 38 GLU H H . . . 1 1 38 38 GLU HG3 H . . . . . 3.8 1.8 4.50 . . . . . A . 38 GLU H . . A . 38 GLU HG3 . 1 . 38 GLU- HN . . . 1 . 38 GLU- HG* . . rr_1gw3 1 444 1 OR . 1 1 38 38 GLU H H . . . 1 1 37 37 LEU HB2 H . . . . . 3.8 1.8 4.50 . . . . . A . 38 GLU H . . A . 37 LEU HB2 . 1 . 38 GLU- HN . . . 1 . 37 LEU HB* . . rr_1gw3 1 444 2 OR . 1 1 38 38 GLU H H . . . 1 1 37 37 LEU HB3 H . . . . . 3.8 1.8 4.50 . . . . . A . 38 GLU H . . A . 37 LEU HB3 . 1 . 38 GLU- HN . . . 1 . 37 LEU HB* . . rr_1gw3 1 445 1 . . 1 1 21 21 HIS H H . . . 1 1 18 18 LEU HA H . . . . . 3.8 1.8 3.80 . . . . . A . 21 HIS H . . A . 18 LEU HA . 1 . 21 HIS+ HN . . . 1 . 18 LEU HA . . rr_1gw3 1 446 1 . . 1 1 43 43 ASN H H . . . 1 1 43 43 ASN HA H . . . . . 3.8 1.8 3.80 . . . . . A . 43 ASN H . . A . 43 ASN HA . 1 . 43 ASN HN . . . 1 . 43 ASN HA . . rr_1gw3 1 447 1 . . 1 1 43 43 ASN H H . . . 1 1 42 42 GLU HA H . . . . . 3.8 1.8 3.80 . . . . . A . 43 ASN H . . A . 42 GLU HA . 1 . 43 ASN HN . . . 1 . 42 GLU- HA . . rr_1gw3 1 448 1 . . 1 1 43 43 ASN HA H . . . 1 1 43 43 ASN HB3 H . . . . . 3.8 1.8 3.80 . . . . . A . 43 ASN HA . . A . 43 ASN HB3 . 1 . 43 ASN HA . . . 1 . 43 ASN HB1 . . rr_1gw3 1 449 1 . . 1 1 43 43 ASN HA H . . . 1 1 44 44 GLY H H . . . . . 5.0 1.8 5.00 . . . . . A . 43 ASN HA . . A . 44 GLY H . 1 . 43 ASN HA . . . 1 . 44 GLY HN . . rr_1gw3 1 450 1 . . 1 1 42 42 GLU H H . . . 1 1 42 42 GLU HA H . . . . . 3.8 1.8 3.80 . . . . . A . 42 GLU H . . A . 42 GLU HA . 1 . 42 GLU- HN . . . 1 . 42 GLU- HA . . rr_1gw3 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1gw3 _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; *HEADER HIGH DENSITY LIPOPROTEINS 04-JUN-97 1GW3 *TITLE THE HELIX-HINGE-HELIX STRUCTURAL MOTIF IN HUMAN *TITLE 2 APOLIPOPROTEIN A-I DETERMINED BY NMR SPECTROSCOPY, *TITLE 3 1 STRUCTURE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: APOA-I; *COMPND 3 CHAIN: NULL; *COMPND 4 FRAGMENT: RESIDUES 142 - 187; *COMPND 5 SYNONYM: APOLIPOPROTEIN A-I; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_COMMON: HUMAN *KEYWDS HIGH DENSITY LIPOPROTEINS, KEY IN VIVO COFACTOR FOR THE *KEYWDS 2 ENZYME LECITHIN-CHOLESTEROL TRANSFERASE, CHOLESTEROL *KEYWDS 3 EFFLUX, RECEPTOR BINDING, AMPHIPATHIC HELICES, *KEYWDS 4 HELIX-HINGE-HELIX MOTIF *EXPDTA NMR, 1 STRUCTURE *AUTHOR G.WANG,J.T.SPARROW,R.J.CUSHLEY *REVDAT 1 23-JUL-97 1GW3 0 The following is the NMR restraint file used to generate the ensemble of structures of apoA-I(142-187) in DPC !BIOSYM restraint 1 ! #remote_prochiral_center 1:VAL_15:HG2* 1:VAL_15:HG1* 1:VAL_15:CG2 1:VAL_15:CG1 1:VAL_15:CB 1:LEU_18:HD1* 1:LEU_18:HD2* 1:LEU_18:CD1 1:LEU_18:CD2 1:LEU_18:CG 1:LEU_3:HD1* 1:LEU_3:HD2* 1:LEU_3:CD1 1:LEU_3:CD2 1:LEU_3:CG ! #NOE_distance ; save_ save_MR_file_comment_3 _Org_constr_file_comment.Sf_framecode MR_file_comment_3 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1gw3 _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 3 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; #mixing_times 5.000000E-02 1.000000E-01 1.500000E-01 ; save_