data_Remediated_restraints_file_for_PDB_entry_1pbz # This BMRB archive file contains, for PDB entry 1pbz: # # - 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_1pbz _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1pbz' _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 1pbz' _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 1pbz 'Master copy' rr_1pbz stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1pbz _Assembly.ID 1 _Assembly.Name 1pbz _Assembly.Number_of_components 3 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 3907.1952 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 'De novo designed cyclic peptide' 1 $De_novo_designed_cyclic_peptide A . no . . . . . . rr_1pbz 1 2 'De novo designed cyclic peptide' 1 $De_novo_designed_cyclic_peptide B . no . . . . . . rr_1pbz 1 3 'COPROPORPHYRIN I CONTAINING CO III' 2 $COPROPORPHYRIN_I_CONTAINING_CO_III_ C . no . . . . . . rr_1pbz 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_De_novo_designed_cyclic_peptide _Entity.Sf_category entity _Entity.Sf_framecode De_novo_designed_cyclic_peptide _Entity.Entry_ID rr_1pbz _Entity.ID 1 _Entity.Name De_novo_designed_cyclic_peptide _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code XCGAEAAKAHAKAAEAGCX _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality yes _Entity.Nstd_linkage yes _Entity.Number_of_monomers 19 _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 1597.7798 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 . ACE . rr_1pbz 1 2 . CYS . rr_1pbz 1 3 . GLY . rr_1pbz 1 4 . ALA . rr_1pbz 1 5 . GLU . rr_1pbz 1 6 . ALA . rr_1pbz 1 7 . ALA . rr_1pbz 1 8 . LYS . rr_1pbz 1 9 . ALA . rr_1pbz 1 10 . HIS . rr_1pbz 1 11 . ALA . rr_1pbz 1 12 . LYS . rr_1pbz 1 13 . ALA . rr_1pbz 1 14 . ALA . rr_1pbz 1 15 . GLU . rr_1pbz 1 16 . ALA . rr_1pbz 1 17 . GLY . rr_1pbz 1 18 . CYS . rr_1pbz 1 19 . NH2 . rr_1pbz 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 . ACE 1 1 rr_1pbz 1 . CYS 2 2 rr_1pbz 1 . GLY 3 3 rr_1pbz 1 . ALA 4 4 rr_1pbz 1 . GLU 5 5 rr_1pbz 1 . ALA 6 6 rr_1pbz 1 . ALA 7 7 rr_1pbz 1 . LYS 8 8 rr_1pbz 1 . ALA 9 9 rr_1pbz 1 . HIS 10 10 rr_1pbz 1 . ALA 11 11 rr_1pbz 1 . LYS 12 12 rr_1pbz 1 . ALA 13 13 rr_1pbz 1 . ALA 14 14 rr_1pbz 1 . GLU 15 15 rr_1pbz 1 . ALA 16 16 rr_1pbz 1 . GLY 17 17 rr_1pbz 1 . CYS 18 18 rr_1pbz 1 . NH2 19 19 rr_1pbz 1 stop_ save_ save_COPROPORPHYRIN_I_CONTAINING_CO_III_ _Entity.Sf_category entity _Entity.Sf_framecode COPROPORPHYRIN_I_CONTAINING_CO_III_ _Entity.Entry_ID rr_1pbz _Entity.ID 2 _Entity.Name COPROPORPHYRIN_I_CONTAINING_CO_III_ _Entity.Type non-polymer _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_chirality yes _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID PC3 _Entity.Number_of_monomers 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 2 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 . PC3 . rr_1pbz 2 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID rr_1pbz _Chem_comp.ID ACE _Chem_comp.Name 'ACETYL GROUP' _Chem_comp.Type non-polymer _Chem_comp.PDB_code ACE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C2 H3 O' _Chem_comp.Formula_weight 43.0451 loop_ _Chem_comp_common_name.Name _Chem_comp_common_name.Type _Chem_comp_common_name.Entry_ID _Chem_comp_common_name.Comp_ID acetaldehyde name rr_1pbz ACE stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID rr_1pbz _Chem_comp.ID NH2 _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type non-polymer _Chem_comp.PDB_code NH2 _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.0225 save_ save_chem_comp_PC3 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PC3 _Chem_comp.Entry_ID rr_1pbz _Chem_comp.ID PC3 _Chem_comp.Name 'COPROPORPHYRIN I CONTAINING CO(III)' _Chem_comp.Type non-polymer _Chem_comp.PDB_code PC3 _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula 'C36 H36 Co N4 O8' _Chem_comp.Formula_weight 711.6356 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_1pbz _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 14 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_1pbz _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_1pbz 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_1pbz 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 2 CYS C C -3.572 -3.750 0.064 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . rr_1pbz 1 . 1 . 2 . 1 1 2 CYS CA C -5.038 -4.306 -0.100 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 1 . 3 . 1 1 2 CYS CB C -5.948 -3.282 -0.824 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 1 . 4 . 1 1 2 CYS H H -6.316 -3.988 1.755 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H . . . . . . . . . rr_1pbz 1 . 1 . 5 . 1 1 2 CYS HA H -4.918 -5.175 -0.809 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 1 . 6 . 1 1 2 CYS HB2 H -6.956 -3.689 -1.031 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 1 . 7 . 1 1 2 CYS HB3 H -6.098 -2.367 -0.216 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 1 . 8 . 1 1 2 CYS N N -5.795 -4.664 1.157 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . rr_1pbz 1 . 1 . 9 . 1 1 2 CYS O O -2.868 -3.697 -0.951 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . rr_1pbz 1 . 1 . 10 . 1 1 2 CYS SG S -5.209 -2.781 -2.396 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 1 . 11 . 1 1 3 GLY C C -1.146 -2.537 2.761 . . . 1.0 . . . . . . . . . . . . A . 2 GLY C . . . . . . . . . rr_1pbz 1 . 1 . 12 . 1 1 3 GLY CA C -1.781 -2.653 1.362 . . . 1.0 . . . . . . . . . . . . A . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 1 . 13 . 1 1 3 GLY H H -3.675 -3.465 2.072 . . . 1.0 . . . . . . . . . . . . A . 2 GLY H . . . . . . . . . rr_1pbz 1 . 1 . 14 . 1 1 3 GLY HA2 H -1.026 -3.043 0.654 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 1 . 15 . 1 1 3 GLY HA3 H -1.992 -1.623 1.007 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 1 . 16 . 1 1 3 GLY N N -3.055 -3.402 1.262 . . . 1.0 . . . . . . . . . . . . A . 2 GLY N . . . . . . . . . rr_1pbz 1 . 1 . 17 . 1 1 3 GLY O O -1.133 -1.451 3.336 . . . 1.0 . . . . . . . . . . . . A . 2 GLY O . . . . . . . . . rr_1pbz 1 . 1 . 18 . 1 1 4 ALA C C 1.745 -2.974 4.302 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . rr_1pbz 1 . 1 . 19 . 1 1 4 ALA CA C 0.297 -3.539 4.523 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 1 . 20 . 1 1 4 ALA CB C 0.279 -4.936 5.125 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 1 . 21 . 1 1 4 ALA H H -0.731 -4.503 2.819 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . rr_1pbz 1 . 1 . 22 . 1 1 4 ALA HA H -0.186 -2.856 5.253 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 1 . 23 . 1 1 4 ALA HB1 H 0.841 -4.937 6.074 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 1 . 24 . 1 1 4 ALA HB2 H 0.747 -5.667 4.440 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 1 . 25 . 1 1 4 ALA HB3 H -0.757 -5.255 5.339 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 1 . 26 . 1 1 4 ALA N N -0.551 -3.615 3.294 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . rr_1pbz 1 . 1 . 27 . 1 1 4 ALA O O 2.263 -2.241 5.147 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . rr_1pbz 1 . 1 . 28 . 1 1 5 GLU C C 3.361 -1.082 2.402 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . rr_1pbz 1 . 1 . 29 . 1 1 5 GLU CA C 3.638 -2.607 2.719 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 1 . 30 . 1 1 5 GLU CB C 4.131 -3.351 1.478 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 1 . 31 . 1 1 5 GLU CD C 4.880 -5.563 0.427 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 1 . 32 . 1 1 5 GLU CG C 4.732 -4.765 1.701 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 1 . 33 . 1 1 5 GLU H H 2.041 -4.120 2.664 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . rr_1pbz 1 . 1 . 34 . 1 1 5 GLU HA H 4.440 -2.679 3.459 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 1 . 35 . 1 1 5 GLU HB2 H 3.286 -3.388 0.768 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 1 . 36 . 1 1 5 GLU HB3 H 4.904 -2.710 1.023 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 1 . 37 . 1 1 5 GLU HG2 H 5.724 -4.709 2.178 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 1 . 38 . 1 1 5 GLU HG3 H 4.106 -5.378 2.369 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 1 . 39 . 1 1 5 GLU N N 2.414 -3.319 3.191 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . rr_1pbz 1 . 1 . 40 . 1 1 5 GLU O O 4.107 -0.195 2.829 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . rr_1pbz 1 . 1 . 41 . 1 1 5 GLU OE1 O 3.876 -6.159 -0.014 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 1 . 42 . 1 1 5 GLU OE2 O 5.998 -5.620 -0.122 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 1 . 43 . 1 1 6 ALA C C 1.427 1.284 2.928 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . rr_1pbz 1 . 1 . 44 . 1 1 6 ALA CA C 1.686 0.586 1.557 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 1 . 45 . 1 1 6 ALA CB C 0.347 0.435 0.825 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 1 . 46 . 1 1 6 ALA H H 1.719 -1.663 1.514 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . rr_1pbz 1 . 1 . 47 . 1 1 6 ALA HA H 2.352 1.268 0.956 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 1 . 48 . 1 1 6 ALA HB1 H -0.123 1.412 0.648 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 1 . 49 . 1 1 6 ALA HB2 H -0.382 -0.121 1.440 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 1 . 50 . 1 1 6 ALA HB3 H 0.444 -0.101 -0.132 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 1 . 51 . 1 1 6 ALA N N 2.245 -0.791 1.692 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . rr_1pbz 1 . 1 . 52 . 1 1 6 ALA O O 1.842 2.428 3.064 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . rr_1pbz 1 . 1 . 53 . 1 1 7 ALA C C 2.056 1.379 6.034 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_1pbz 1 . 1 . 54 . 1 1 7 ALA CA C 0.686 1.145 5.310 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 1 . 55 . 1 1 7 ALA CB C -0.057 0.056 6.062 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 1 . 56 . 1 1 7 ALA H H 0.408 -0.304 3.675 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_1pbz 1 . 1 . 57 . 1 1 7 ALA HA H 0.049 2.070 5.362 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 1 . 58 . 1 1 7 ALA HB1 H -0.215 0.369 7.106 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 1 . 59 . 1 1 7 ALA HB2 H 0.548 -0.867 6.094 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 1 . 60 . 1 1 7 ALA HB3 H -1.025 -0.174 5.591 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 1 . 61 . 1 1 7 ALA N N 0.763 0.645 3.913 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_1pbz 1 . 1 . 62 . 1 1 7 ALA O O 2.191 2.404 6.709 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_1pbz 1 . 1 . 63 . 1 1 8 LYS C C 5.103 2.023 5.700 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1pbz 1 . 1 . 64 . 1 1 8 LYS CA C 4.450 0.759 6.362 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 1 . 65 . 1 1 8 LYS CB C 5.302 -0.532 6.231 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 1 . 66 . 1 1 8 LYS CD C 6.717 -0.252 8.400 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 1 . 67 . 1 1 8 LYS CE C 8.094 0.035 9.021 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 1 . 68 . 1 1 8 LYS CG C 6.718 -0.481 6.866 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 1 . 69 . 1 1 8 LYS H H 2.819 -0.401 5.368 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1pbz 1 . 1 . 70 . 1 1 8 LYS HA H 4.362 1.009 7.439 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 1 . 71 . 1 1 8 LYS HB2 H 4.739 -1.387 6.653 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 1 . 72 . 1 1 8 LYS HB3 H 5.398 -0.770 5.151 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 1 . 73 . 1 1 8 LYS HD2 H 6.093 0.635 8.629 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 1 . 74 . 1 1 8 LYS HD3 H 6.193 -1.083 8.917 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 1 . 75 . 1 1 8 LYS HE2 H 8.622 0.828 8.439 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 1 . 76 . 1 1 8 LYS HE3 H 7.949 0.498 10.027 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 1 . 77 . 1 1 8 LYS HG2 H 7.248 -1.421 6.616 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 1 . 78 . 1 1 8 LYS HG3 H 7.301 0.317 6.360 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 1 . 79 . 1 1 8 LYS HZ1 H 8.432 -1.941 9.693 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 1 . 80 . 1 1 8 LYS HZ2 H 9.825 -1.084 9.566 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 1 . 81 . 1 1 8 LYS HZ3 H 9.078 -1.659 8.218 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 1 . 82 . 1 1 8 LYS N N 3.060 0.470 5.894 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1pbz 1 . 1 . 83 . 1 1 8 LYS NZ N 8.901 -1.217 9.130 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 1 . 84 . 1 1 8 LYS O O 5.741 2.809 6.403 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1pbz 1 . 1 . 85 . 1 1 9 ALA C C 4.410 4.728 4.211 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_1pbz 1 . 1 . 86 . 1 1 9 ALA CA C 5.254 3.504 3.709 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 1 . 87 . 1 1 9 ALA CB C 4.964 3.305 2.235 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 1 . 88 . 1 1 9 ALA H H 4.592 1.394 3.878 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_1pbz 1 . 1 . 89 . 1 1 9 ALA HA H 6.338 3.717 3.751 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 1 . 90 . 1 1 9 ALA HB1 H 3.893 3.111 2.074 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 1 . 91 . 1 1 9 ALA HB2 H 5.555 2.468 1.837 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 1 . 92 . 1 1 9 ALA HB3 H 5.228 4.235 1.701 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 1 . 93 . 1 1 9 ALA N N 4.946 2.219 4.382 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_1pbz 1 . 1 . 94 . 1 1 9 ALA O O 4.977 5.794 4.419 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_1pbz 1 . 1 . 95 . 1 1 10 HIS C C 2.730 6.039 6.489 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_1pbz 1 . 1 . 96 . 1 1 10 HIS CA C 2.215 5.607 5.064 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 1 . 97 . 1 1 10 HIS CB C 0.760 5.059 4.949 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 1 . 98 . 1 1 10 HIS CD2 C 0.344 5.297 2.346 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 1 . 99 . 1 1 10 HIS CE1 C -1.194 3.748 2.101 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 1 . 100 . 1 1 10 HIS CG C 0.090 4.739 3.587 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 1 . 101 . 1 1 10 HIS H H 2.709 3.633 4.190 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_1pbz 1 . 1 . 102 . 1 1 10 HIS HA H 2.289 6.563 4.515 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 1 . 103 . 1 1 10 HIS HB2 H 0.739 4.136 5.551 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 1 . 104 . 1 1 10 HIS HB3 H 0.099 5.761 5.473 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 1 . 105 . 1 1 10 HIS HD1 H -1.237 3.092 4.195 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 1 . 106 . 1 1 10 HIS HD2 H 1.096 6.034 2.098 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 1 . 107 . 1 1 10 HIS HE1 H -1.905 3.039 1.667 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 1 . 108 . 1 1 10 HIS N N 3.075 4.586 4.395 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_1pbz 1 . 1 . 109 . 1 1 10 HIS ND1 N -0.842 3.694 3.461 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 1 . 110 . 1 1 10 HIS NE2 N -0.526 4.747 1.475 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 1 . 111 . 1 1 10 HIS O O 3.057 7.219 6.628 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_1pbz 1 . 1 . 112 . 1 1 11 ALA C C 5.100 6.033 8.553 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_1pbz 1 . 1 . 113 . 1 1 11 ALA CA C 3.660 5.431 8.728 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 1 . 114 . 1 1 11 ALA CB C 3.710 4.053 9.428 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 1 . 115 . 1 1 11 ALA H H 2.205 4.386 7.593 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_1pbz 1 . 1 . 116 . 1 1 11 ALA HA H 3.090 6.143 9.349 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 1 . 117 . 1 1 11 ALA HB1 H 4.248 4.115 10.390 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 1 . 118 . 1 1 11 ALA HB2 H 2.706 3.641 9.635 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 1 . 119 . 1 1 11 ALA HB3 H 4.248 3.303 8.811 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 1 . 120 . 1 1 11 ALA N N 2.899 5.138 7.487 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_1pbz 1 . 1 . 121 . 1 1 11 ALA O O 5.409 7.056 9.166 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_1pbz 1 . 1 . 122 . 1 1 12 LYS C C 7.361 7.462 6.863 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_1pbz 1 . 1 . 123 . 1 1 12 LYS CA C 7.324 5.992 7.415 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 1 . 124 . 1 1 12 LYS CB C 8.095 4.991 6.510 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 1 . 125 . 1 1 12 LYS CD C 10.596 5.027 7.348 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 1 . 126 . 1 1 12 LYS CE C 10.756 6.161 8.378 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 1 . 127 . 1 1 12 LYS CG C 9.594 5.275 6.195 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 1 . 128 . 1 1 12 LYS H H 5.440 4.795 7.062 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_1pbz 1 . 1 . 129 . 1 1 12 LYS HA H 7.822 6.032 8.399 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 1 . 130 . 1 1 12 LYS HB2 H 8.003 3.976 6.938 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 1 . 131 . 1 1 12 LYS HB3 H 7.546 4.932 5.548 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 1 . 132 . 1 1 12 LYS HD2 H 10.285 4.112 7.890 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 1 . 133 . 1 1 12 LYS HD3 H 11.591 4.765 6.937 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 1 . 134 . 1 1 12 LYS HE2 H 9.774 6.551 8.712 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 1 . 135 . 1 1 12 LYS HE3 H 11.149 5.748 9.336 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 1 . 136 . 1 1 12 LYS HG2 H 9.881 4.608 5.357 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 1 . 137 . 1 1 12 LYS HG3 H 9.723 6.293 5.775 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 1 . 138 . 1 1 12 LYS HZ1 H 11.587 7.987 8.768 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 1 . 139 . 1 1 12 LYS HZ2 H 12.592 7.100 7.814 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 1 . 140 . 1 1 12 LYS HZ3 H 11.239 7.852 7.172 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 1 . 141 . 1 1 12 LYS N N 5.957 5.431 7.699 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_1pbz 1 . 1 . 142 . 1 1 12 LYS NZ N 11.601 7.315 7.967 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 1 . 143 . 1 1 12 LYS O O 8.194 8.277 7.282 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_1pbz 1 . 1 . 144 . 1 1 13 ALA C C 5.548 9.977 6.623 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . rr_1pbz 1 . 1 . 145 . 1 1 13 ALA CA C 6.154 9.120 5.458 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 1 . 146 . 1 1 13 ALA CB C 5.287 8.956 4.198 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 1 . 147 . 1 1 13 ALA H H 5.852 6.965 5.658 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . rr_1pbz 1 . 1 . 148 . 1 1 13 ALA HA H 7.096 9.606 5.146 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 1 . 149 . 1 1 13 ALA HB1 H 5.074 9.933 3.737 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 1 . 150 . 1 1 13 ALA HB2 H 4.312 8.481 4.412 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 1 . 151 . 1 1 13 ALA HB3 H 5.791 8.360 3.415 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 1 . 152 . 1 1 13 ALA N N 6.460 7.753 5.914 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . rr_1pbz 1 . 1 . 153 . 1 1 13 ALA O O 6.276 10.774 7.181 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . rr_1pbz 1 . 1 . 154 . 1 1 14 ALA C C 4.693 10.725 9.588 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_1pbz 1 . 1 . 155 . 1 1 14 ALA CA C 3.755 10.436 8.339 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 1 . 156 . 1 1 14 ALA CB C 2.546 9.547 8.657 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 1 . 157 . 1 1 14 ALA H H 3.763 9.294 6.396 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_1pbz 1 . 1 . 158 . 1 1 14 ALA HA H 3.360 11.432 8.072 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 1 . 159 . 1 1 14 ALA HB1 H 2.870 8.520 8.911 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 1 . 160 . 1 1 14 ALA HB2 H 1.858 9.469 7.791 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 1 . 161 . 1 1 14 ALA HB3 H 1.967 9.946 9.504 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 1 . 162 . 1 1 14 ALA N N 4.310 9.807 7.083 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_1pbz 1 . 1 . 163 . 1 1 14 ALA O O 4.469 11.665 10.352 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_1pbz 1 . 1 . 164 . 1 1 15 GLU C C 7.895 11.196 10.045 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . rr_1pbz 1 . 1 . 165 . 1 1 15 GLU CA C 6.896 10.114 10.644 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 1 . 166 . 1 1 15 GLU CB C 7.536 8.706 10.872 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 1 . 167 . 1 1 15 GLU CD C 9.918 7.710 11.145 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 1 . 168 . 1 1 15 GLU CG C 8.852 8.632 11.711 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 1 . 169 . 1 1 15 GLU H H 5.714 9.259 8.929 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . rr_1pbz 1 . 1 . 170 . 1 1 15 GLU HA H 6.546 10.495 11.623 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 1 . 171 . 1 1 15 GLU HB2 H 6.788 8.036 11.338 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 1 . 172 . 1 1 15 GLU HB3 H 7.715 8.245 9.882 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 1 . 173 . 1 1 15 GLU HG2 H 9.322 9.625 11.821 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 1 . 174 . 1 1 15 GLU HG3 H 8.640 8.301 12.741 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 1 . 175 . 1 1 15 GLU N N 5.721 9.886 9.749 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . rr_1pbz 1 . 1 . 176 . 1 1 15 GLU O O 7.988 12.301 10.586 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . rr_1pbz 1 . 1 . 177 . 1 1 15 GLU OE1 O 9.771 6.473 11.239 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 1 . 178 . 1 1 15 GLU OE2 O 10.879 8.211 10.518 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 1 . 179 . 1 1 16 ALA C C 9.009 12.648 7.014 . . . 1.0 . . . . . . . . . . . . A . 15 ALA C . . . . . . . . . rr_1pbz 1 . 1 . 180 . 1 1 16 ALA CA C 9.563 11.873 8.280 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 1 . 181 . 1 1 16 ALA CB C 10.855 11.082 7.996 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 1 . 182 . 1 1 16 ALA H H 8.539 9.904 8.684 . . . 1.0 . . . . . . . . . . . . A . 15 ALA H . . . . . . . . . rr_1pbz 1 . 1 . 183 . 1 1 16 ALA HA H 9.835 12.670 9.002 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 1 . 184 . 1 1 16 ALA HB1 H 11.642 11.743 7.588 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 1 . 185 . 1 1 16 ALA HB2 H 11.264 10.631 8.923 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 1 . 186 . 1 1 16 ALA HB3 H 10.685 10.271 7.267 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 1 . 187 . 1 1 16 ALA N N 8.645 10.893 8.957 . . . 1.0 . . . . . . . . . . . . A . 15 ALA N . . . . . . . . . rr_1pbz 1 . 1 . 188 . 1 1 16 ALA O O 9.230 13.853 6.878 . . . 1.0 . . . . . . . . . . . . A . 15 ALA O . . . . . . . . . rr_1pbz 1 . 1 . 189 . 1 1 17 GLY C C 6.172 13.050 5.362 . . . 1.0 . . . . . . . . . . . . A . 16 GLY C . . . . . . . . . rr_1pbz 1 . 1 . 190 . 1 1 17 GLY CA C 7.575 12.537 4.949 . . . 1.0 . . . . . . . . . . . . A . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 1 . 191 . 1 1 17 GLY H H 8.006 11.096 6.497 . . . 1.0 . . . . . . . . . . . . A . 16 GLY H . . . . . . . . . rr_1pbz 1 . 1 . 192 . 1 1 17 GLY HA2 H 8.089 13.338 4.425 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 1 . 193 . 1 1 17 GLY HA3 H 7.407 11.709 4.225 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 1 . 194 . 1 1 17 GLY N N 8.384 11.942 6.056 . . . 1.0 . . . . . . . . . . . . A . 16 GLY N . . . . . . . . . rr_1pbz 1 . 1 . 195 . 1 1 17 GLY O O 6.028 13.863 6.277 . . . 1.0 . . . . . . . . . . . . A . 16 GLY O . . . . . . . . . rr_1pbz 1 . 1 . 196 . 1 1 18 CYS C C 2.883 11.697 4.334 . . . 1.0 . . . . . . . . . . . . A . 17 CYS C . . . . . . . . . rr_1pbz 1 . 1 . 197 . 1 1 18 CYS CA C 3.731 12.712 5.121 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 1 . 198 . 1 1 18 CYS CB C 3.265 14.183 4.937 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 1 . 199 . 1 1 18 CYS H H 5.374 12.015 3.831 . . . 1.0 . . . . . . . . . . . . A . 17 CYS H . . . . . . . . . rr_1pbz 1 . 1 . 200 . 1 1 18 CYS HA H 3.705 12.385 6.195 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 1 . 201 . 1 1 18 CYS HB2 H 3.437 14.745 5.873 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 1 . 202 . 1 1 18 CYS HB3 H 3.873 14.707 4.174 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 1 . 203 . 1 1 18 CYS N N 5.131 12.549 4.677 . . . 1.0 . . . . . . . . . . . . A . 17 CYS N . . . . . . . . . rr_1pbz 1 . 1 . 204 . 1 1 18 CYS O O 2.220 10.793 4.854 . . . 1.0 . . . . . . . . . . . . A . 17 CYS O . . . . . . . . . rr_1pbz 1 . 1 . 205 . 1 1 18 CYS SG S 1.543 14.379 4.426 . . . 1.0 . . . . . . . . . . . . A . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 1 . 206 . 1 1 19 NH2 HN1 H 3.512 12.653 2.653 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 1 . 207 . 1 1 19 NH2 HN2 H 2.429 11.267 2.399 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 1 . 208 . 1 1 19 NH2 N N 2.946 11.886 3.033 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 1 . 209 . 2 1 2 CYS C C -6.865 0.624 -5.580 . . . 1.0 . . . . . . . . . . . . B . 1 CYS C . . . . . . . . . rr_1pbz 1 . 1 . 210 . 2 1 2 CYS CA C -7.967 -0.080 -4.684 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 1 . 211 . 2 1 2 CYS CB C -7.456 -1.380 -4.005 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 1 . 212 . 2 1 2 CYS H H -9.610 -1.367 -5.637 . . . 1.0 . . . . . . . . . . . . B . 1 CYS H . . . . . . . . . rr_1pbz 1 . 1 . 213 . 2 1 2 CYS HA H -8.133 0.660 -3.848 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 1 . 214 . 2 1 2 CYS HB2 H -8.199 -1.813 -3.305 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 1 . 215 . 2 1 2 CYS HB3 H -7.194 -2.179 -4.722 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 1 . 216 . 2 1 2 CYS N N -9.282 -0.429 -5.351 . . . 1.0 . . . . . . . . . . . . B . 1 CYS N . . . . . . . . . rr_1pbz 1 . 1 . 217 . 2 1 2 CYS O O -5.951 1.233 -5.023 . . . 1.0 . . . . . . . . . . . . B . 1 CYS O . . . . . . . . . rr_1pbz 1 . 1 . 218 . 2 1 2 CYS SG S -5.990 -1.044 -3.011 . . . 1.0 . . . . . . . . . . . . B . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 1 . 219 . 2 1 3 GLY C C -6.509 2.879 -8.049 . . . 1.0 . . . . . . . . . . . . B . 2 GLY C . . . . . . . . . rr_1pbz 1 . 1 . 220 . 2 1 3 GLY CA C -6.049 1.418 -7.805 . . . 1.0 . . . . . . . . . . . . B . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 1 . 221 . 2 1 3 GLY H H -7.773 0.135 -7.306 . . . 1.0 . . . . . . . . . . . . B . 2 GLY H . . . . . . . . . rr_1pbz 1 . 1 . 222 . 2 1 3 GLY HA2 H -5.019 1.450 -7.396 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 1 . 223 . 2 1 3 GLY HA3 H -5.936 0.935 -8.791 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 1 . 224 . 2 1 3 GLY N N -6.926 0.577 -6.935 . . . 1.0 . . . . . . . . . . . . B . 2 GLY N . . . . . . . . . rr_1pbz 1 . 1 . 225 . 2 1 3 GLY O O -5.691 3.791 -7.955 . . . 1.0 . . . . . . . . . . . . B . 2 GLY O . . . . . . . . . rr_1pbz 1 . 1 . 226 . 2 1 4 ALA C C -8.637 5.284 -7.200 . . . 1.0 . . . . . . . . . . . . B . 3 ALA C . . . . . . . . . rr_1pbz 1 . 1 . 227 . 2 1 4 ALA CA C -8.344 4.491 -8.517 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 1 . 228 . 2 1 4 ALA CB C -9.593 4.330 -9.378 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 1 . 229 . 2 1 4 ALA H H -8.391 2.297 -8.430 . . . 1.0 . . . . . . . . . . . . B . 3 ALA H . . . . . . . . . rr_1pbz 1 . 1 . 230 . 2 1 4 ALA HA H -7.622 5.112 -9.089 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 1 . 231 . 2 1 4 ALA HB1 H -9.353 3.856 -10.348 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 1 . 232 . 2 1 4 ALA HB2 H -10.036 5.318 -9.589 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 1 . 233 . 2 1 4 ALA HB3 H -10.356 3.717 -8.861 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 1 . 234 . 2 1 4 ALA N N -7.785 3.118 -8.386 . . . 1.0 . . . . . . . . . . . . B . 3 ALA N . . . . . . . . . rr_1pbz 1 . 1 . 235 . 2 1 4 ALA O O -8.403 6.496 -7.184 . . . 1.0 . . . . . . . . . . . . B . 3 ALA O . . . . . . . . . rr_1pbz 1 . 1 . 236 . 2 1 5 GLU C C -7.775 5.690 -4.188 . . . 1.0 . . . . . . . . . . . . B . 4 GLU C . . . . . . . . . rr_1pbz 1 . 1 . 237 . 2 1 5 GLU CA C -9.188 5.311 -4.765 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 1 . 238 . 2 1 5 GLU CB C -10.123 4.500 -3.829 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 1 . 239 . 2 1 5 GLU CD C -11.903 6.393 -3.319 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 1 . 240 . 2 1 5 GLU CG C -10.910 5.358 -2.793 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 1 . 241 . 2 1 5 GLU H H -9.491 3.701 -6.259 . . . 1.0 . . . . . . . . . . . . B . 4 GLU H . . . . . . . . . rr_1pbz 1 . 1 . 242 . 2 1 5 GLU HA H -9.660 6.284 -4.929 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 1 . 243 . 2 1 5 GLU HB2 H -10.878 3.946 -4.422 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 1 . 244 . 2 1 5 GLU HB3 H -9.540 3.712 -3.316 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 1 . 245 . 2 1 5 GLU HG2 H -11.494 4.704 -2.125 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 1 . 246 . 2 1 5 GLU HG3 H -10.208 5.895 -2.131 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 1 . 247 . 2 1 5 GLU N N -9.132 4.654 -6.113 . . . 1.0 . . . . . . . . . . . . B . 4 GLU N . . . . . . . . . rr_1pbz 1 . 1 . 248 . 2 1 5 GLU O O -7.570 6.801 -3.681 . . . 1.0 . . . . . . . . . . . . B . 4 GLU O . . . . . . . . . rr_1pbz 1 . 1 . 249 . 2 1 5 GLU OE1 O -12.426 6.268 -4.449 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 1 . 250 . 2 1 5 GLU OE2 O -12.129 7.387 -2.604 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 1 . 251 . 2 1 6 ALA C C -4.912 6.364 -5.083 . . . 1.0 . . . . . . . . . . . . B . 5 ALA C . . . . . . . . . rr_1pbz 1 . 1 . 252 . 2 1 6 ALA CA C -5.336 5.188 -4.156 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 1 . 253 . 2 1 6 ALA CB C -4.447 4.017 -4.591 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 1 . 254 . 2 1 6 ALA H H -7.099 3.983 -4.880 . . . 1.0 . . . . . . . . . . . . B . 5 ALA H . . . . . . . . . rr_1pbz 1 . 1 . 255 . 2 1 6 ALA HA H -5.098 5.495 -3.102 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 1 . 256 . 2 1 6 ALA HB1 H -4.573 3.138 -3.953 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 1 . 257 . 2 1 6 ALA HB2 H -4.677 3.726 -5.637 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 1 . 258 . 2 1 6 ALA HB3 H -3.383 4.312 -4.621 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 1 . 259 . 2 1 6 ALA N N -6.768 4.802 -4.343 . . . 1.0 . . . . . . . . . . . . B . 5 ALA N . . . . . . . . . rr_1pbz 1 . 1 . 260 . 2 1 6 ALA O O -4.307 7.307 -4.579 . . . 1.0 . . . . . . . . . . . . B . 5 ALA O . . . . . . . . . rr_1pbz 1 . 1 . 261 . 2 1 7 ALA C C -5.333 8.823 -6.944 . . . 1.0 . . . . . . . . . . . . B . 6 ALA C . . . . . . . . . rr_1pbz 1 . 1 . 262 . 2 1 7 ALA CA C -4.790 7.385 -7.322 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 1 . 263 . 2 1 7 ALA CB C -5.308 6.995 -8.694 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 1 . 264 . 2 1 7 ALA H H -5.750 5.515 -6.755 . . . 1.0 . . . . . . . . . . . . B . 6 ALA H . . . . . . . . . rr_1pbz 1 . 1 . 265 . 2 1 7 ALA HA H -3.684 7.259 -7.338 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 1 . 266 . 2 1 7 ALA HB1 H -4.942 5.998 -8.981 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 1 . 267 . 2 1 7 ALA HB2 H -6.412 6.996 -8.697 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 1 . 268 . 2 1 7 ALA HB3 H -4.963 7.738 -9.431 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 1 . 269 . 2 1 7 ALA N N -5.205 6.321 -6.403 . . . 1.0 . . . . . . . . . . . . B . 6 ALA N . . . . . . . . . rr_1pbz 1 . 1 . 270 . 2 1 7 ALA O O -4.570 9.786 -6.872 . . . 1.0 . . . . . . . . . . . . B . 6 ALA O . . . . . . . . . rr_1pbz 1 . 1 . 271 . 2 1 8 LYS C C -6.686 10.590 -4.707 . . . 1.0 . . . . . . . . . . . . B . 7 LYS C . . . . . . . . . rr_1pbz 1 . 1 . 272 . 2 1 8 LYS CA C -7.333 10.088 -6.044 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 1 . 273 . 2 1 8 LYS CB C -8.821 9.673 -5.850 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 1 . 274 . 2 1 8 LYS CD C -11.049 10.427 -4.715 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 1 . 275 . 2 1 8 LYS CE C -11.860 9.187 -5.140 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 1 . 276 . 2 1 8 LYS CG C -9.814 10.830 -5.558 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 1 . 277 . 2 1 8 LYS H H -7.136 8.009 -6.810 . . . 1.0 . . . . . . . . . . . . B . 7 LYS H . . . . . . . . . rr_1pbz 1 . 1 . 278 . 2 1 8 LYS HA H -7.266 10.933 -6.766 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 1 . 279 . 2 1 8 LYS HB2 H -9.188 9.119 -6.736 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 1 . 280 . 2 1 8 LYS HB3 H -8.858 8.923 -5.032 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 1 . 281 . 2 1 8 LYS HD2 H -10.692 10.226 -3.682 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 1 . 282 . 2 1 8 LYS HD3 H -11.718 11.301 -4.588 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 1 . 283 . 2 1 8 LYS HE2 H -11.200 8.289 -5.148 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 1 . 284 . 2 1 8 LYS HE3 H -12.591 8.938 -4.335 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 1 . 285 . 2 1 8 LYS HG2 H -9.291 11.637 -5.001 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 1 . 286 . 2 1 8 LYS HG3 H -10.117 11.316 -6.505 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 1 . 287 . 2 1 8 LYS HZ1 H -13.254 10.109 -6.416 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 1 . 288 . 2 1 8 LYS HZ2 H -11.917 9.538 -7.208 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 1 . 289 . 2 1 8 LYS HZ3 H -13.076 8.487 -6.675 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 1 . 290 . 2 1 8 LYS N N -6.653 8.907 -6.654 . . . 1.0 . . . . . . . . . . . . B . 7 LYS N . . . . . . . . . rr_1pbz 1 . 1 . 291 . 2 1 8 LYS NZ N -12.564 9.349 -6.435 . . . 1.0 . . . . . . . . . . . . B . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 1 . 292 . 2 1 8 LYS O O -6.430 11.785 -4.590 . . . 1.0 . . . . . . . . . . . . B . 7 LYS O . . . . . . . . . rr_1pbz 1 . 1 . 293 . 2 1 9 ALA C C -4.097 10.604 -2.871 . . . 1.0 . . . . . . . . . . . . B . 8 ALA C . . . . . . . . . rr_1pbz 1 . 1 . 294 . 2 1 9 ALA CA C -5.546 10.080 -2.550 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 1 . 295 . 2 1 9 ALA CB C -5.336 8.794 -1.771 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 1 . 296 . 2 1 9 ALA H H -6.753 8.759 -3.854 . . . 1.0 . . . . . . . . . . . . B . 8 ALA H . . . . . . . . . rr_1pbz 1 . 1 . 297 . 2 1 9 ALA HA H -6.090 10.767 -1.867 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 1 . 298 . 2 1 9 ALA HB1 H -4.761 8.060 -2.361 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 1 . 299 . 2 1 9 ALA HB2 H -6.290 8.349 -1.461 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 1 . 300 . 2 1 9 ALA HB3 H -4.735 9.040 -0.882 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 1 . 301 . 2 1 9 ALA N N -6.399 9.717 -3.717 . . . 1.0 . . . . . . . . . . . . B . 8 ALA N . . . . . . . . . rr_1pbz 1 . 1 . 302 . 2 1 9 ALA O O -3.541 11.437 -2.152 . . . 1.0 . . . . . . . . . . . . B . 8 ALA O . . . . . . . . . rr_1pbz 1 . 1 . 303 . 2 1 10 HIS C C -2.020 11.787 -4.970 . . . 1.0 . . . . . . . . . . . . B . 9 HIS C . . . . . . . . . rr_1pbz 1 . 1 . 304 . 2 1 10 HIS CA C -2.070 10.352 -4.330 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 1 . 305 . 2 1 10 HIS CB C -1.614 9.100 -5.132 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 1 . 306 . 2 1 10 HIS CD2 C -1.450 7.623 -2.954 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 1 . 307 . 2 1 10 HIS CE1 C -1.120 5.672 -3.878 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 1 . 308 . 2 1 10 HIS CG C -1.397 7.787 -4.335 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 1 . 309 . 2 1 10 HIS H H -4.074 9.428 -4.501 . . . 1.0 . . . . . . . . . . . . B . 9 HIS H . . . . . . . . . rr_1pbz 1 . 1 . 310 . 2 1 10 HIS HA H -1.394 10.412 -3.455 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 1 . 311 . 2 1 10 HIS HB2 H -2.351 8.906 -5.937 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 1 . 312 . 2 1 10 HIS HB3 H -0.682 9.350 -5.658 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 1 . 313 . 2 1 10 HIS HD1 H -1.014 6.362 -5.954 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 1 . 314 . 2 1 10 HIS HD2 H -1.677 8.406 -2.231 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 1 . 315 . 2 1 10 HIS HE1 H -0.996 4.603 -4.048 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 1 . 316 . 2 1 10 HIS N N -3.453 10.006 -3.890 . . . 1.0 . . . . . . . . . . . . B . 9 HIS N . . . . . . . . . rr_1pbz 1 . 1 . 317 . 2 1 10 HIS ND1 N -1.256 6.552 -4.972 . . . 1.0 . . . . . . . . . . . . B . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 1 . 318 . 2 1 10 HIS NE2 N -1.184 6.330 -2.688 . . . 1.0 . . . . . . . . . . . . B . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 1 . 319 . 2 1 10 HIS O O -1.229 12.627 -4.526 . . . 1.0 . . . . . . . . . . . . B . 9 HIS O . . . . . . . . . rr_1pbz 1 . 1 . 320 . 2 1 11 ALA C C -3.689 14.418 -5.249 . . . 1.0 . . . . . . . . . . . . B . 10 ALA C . . . . . . . . . rr_1pbz 1 . 1 . 321 . 2 1 11 ALA CA C -3.242 13.437 -6.392 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 1 . 322 . 2 1 11 ALA CB C -4.376 13.207 -7.417 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 1 . 323 . 2 1 11 ALA H H -3.266 11.277 -6.482 . . . 1.0 . . . . . . . . . . . . B . 10 ALA H . . . . . . . . . rr_1pbz 1 . 1 . 324 . 2 1 11 ALA HA H -2.362 13.887 -6.884 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 1 . 325 . 2 1 11 ALA HB1 H -5.266 12.738 -6.947 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 1 . 326 . 2 1 11 ALA HB2 H -4.725 14.161 -7.849 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 1 . 327 . 2 1 11 ALA HB3 H -4.073 12.553 -8.255 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 1 . 328 . 2 1 11 ALA N N -2.921 12.067 -5.929 . . . 1.0 . . . . . . . . . . . . B . 10 ALA N . . . . . . . . . rr_1pbz 1 . 1 . 329 . 2 1 11 ALA O O -3.110 15.493 -5.138 . . . 1.0 . . . . . . . . . . . . B . 10 ALA O . . . . . . . . . rr_1pbz 1 . 1 . 330 . 2 1 12 LYS C C -3.815 15.389 -2.292 . . . 1.0 . . . . . . . . . . . . B . 11 LYS C . . . . . . . . . rr_1pbz 1 . 1 . 331 . 2 1 12 LYS CA C -5.011 14.833 -3.149 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 1 . 332 . 2 1 12 LYS CB C -6.034 14.003 -2.317 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 1 . 333 . 2 1 12 LYS CD C -7.134 16.002 -1.078 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 1 . 334 . 2 1 12 LYS CE C -6.992 16.906 0.150 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 1 . 335 . 2 1 12 LYS CG C -6.495 14.596 -0.960 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 1 . 336 . 2 1 12 LYS H H -4.808 13.007 -4.446 . . . 1.0 . . . . . . . . . . . . B . 11 LYS H . . . . . . . . . rr_1pbz 1 . 1 . 337 . 2 1 12 LYS HA H -5.558 15.718 -3.520 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 1 . 338 . 2 1 12 LYS HB2 H -6.917 13.797 -2.950 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 1 . 339 . 2 1 12 LYS HB3 H -5.590 13.013 -2.111 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 1 . 340 . 2 1 12 LYS HD2 H -6.621 16.568 -1.877 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 1 . 341 . 2 1 12 LYS HD3 H -8.175 15.947 -1.453 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 1 . 342 . 2 1 12 LYS HE2 H -5.913 17.010 0.416 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 1 . 343 . 2 1 12 LYS HE3 H -7.281 17.946 -0.146 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 1 . 344 . 2 1 12 LYS HG2 H -7.196 13.894 -0.470 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 1 . 345 . 2 1 12 LYS HG3 H -5.612 14.630 -0.287 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 1 . 346 . 2 1 12 LYS HZ1 H -7.524 15.433 1.546 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 1 . 347 . 2 1 12 LYS HZ2 H -8.807 16.300 1.011 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 1 . 348 . 2 1 12 LYS HZ3 H -7.774 16.955 2.125 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 1 . 349 . 2 1 12 LYS N N -4.629 14.023 -4.359 . . . 1.0 . . . . . . . . . . . . B . 11 LYS N . . . . . . . . . rr_1pbz 1 . 1 . 350 . 2 1 12 LYS NZ N -7.818 16.381 1.274 . . . 1.0 . . . . . . . . . . . . B . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 1 . 351 . 2 1 12 LYS O O -3.733 16.583 -1.975 . . . 1.0 . . . . . . . . . . . . B . 11 LYS O . . . . . . . . . rr_1pbz 1 . 1 . 352 . 2 1 13 ALA C C -0.773 15.847 -2.301 . . . 1.0 . . . . . . . . . . . . B . 12 ALA C . . . . . . . . . rr_1pbz 1 . 1 . 353 . 2 1 13 ALA CA C -1.574 14.856 -1.381 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 1 . 354 . 2 1 13 ALA CB C -0.874 13.522 -1.046 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 1 . 355 . 2 1 13 ALA H H -3.162 13.524 -2.167 . . . 1.0 . . . . . . . . . . . . B . 12 ALA H . . . . . . . . . rr_1pbz 1 . 1 . 356 . 2 1 13 ALA HA H -1.787 15.398 -0.441 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 1 . 357 . 2 1 13 ALA HB1 H 0.137 13.691 -0.633 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 1 . 358 . 2 1 13 ALA HB2 H -1.440 12.949 -0.290 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 1 . 359 . 2 1 13 ALA HB3 H -0.752 12.879 -1.937 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 1 . 360 . 2 1 13 ALA N N -2.882 14.487 -1.951 . . . 1.0 . . . . . . . . . . . . B . 12 ALA N . . . . . . . . . rr_1pbz 1 . 1 . 361 . 2 1 13 ALA O O -0.744 17.040 -1.993 . . . 1.0 . . . . . . . . . . . . B . 12 ALA O . . . . . . . . . rr_1pbz 1 . 1 . 362 . 2 1 14 ALA C C -0.486 17.643 -4.947 . . . 1.0 . . . . . . . . . . . . B . 13 ALA C . . . . . . . . . rr_1pbz 1 . 1 . 363 . 2 1 14 ALA CA C 0.328 16.358 -4.499 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 1 . 364 . 2 1 14 ALA CB C 0.573 15.413 -5.693 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 1 . 365 . 2 1 14 ALA H H -0.371 14.444 -3.666 . . . 1.0 . . . . . . . . . . . . B . 13 ALA H . . . . . . . . . rr_1pbz 1 . 1 . 366 . 2 1 14 ALA HA H 1.309 16.731 -4.147 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 1 . 367 . 2 1 14 ALA HB1 H 1.051 15.944 -6.534 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 1 . 368 . 2 1 14 ALA HB2 H 1.228 14.558 -5.436 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 1 . 369 . 2 1 14 ALA HB3 H -0.378 14.994 -6.077 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 1 . 370 . 2 1 14 ALA N N -0.224 15.433 -3.457 . . . 1.0 . . . . . . . . . . . . B . 13 ALA N . . . . . . . . . rr_1pbz 1 . 1 . 371 . 2 1 14 ALA O O 0.060 18.506 -5.637 . . . 1.0 . . . . . . . . . . . . B . 13 ALA O . . . . . . . . . rr_1pbz 1 . 1 . 372 . 2 1 15 GLU C C -2.279 19.976 -3.484 . . . 1.0 . . . . . . . . . . . . B . 14 GLU C . . . . . . . . . rr_1pbz 1 . 1 . 373 . 2 1 15 GLU CA C -2.597 18.995 -4.653 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 1 . 374 . 2 1 15 GLU CB C -4.077 18.515 -4.804 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 1 . 375 . 2 1 15 GLU CD C -6.188 18.901 -3.304 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 1 . 376 . 2 1 15 GLU CG C -5.263 19.449 -4.392 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 1 . 377 . 2 1 15 GLU H H -1.965 17.009 -3.814 . . . 1.0 . . . . . . . . . . . . B . 14 GLU H . . . . . . . . . rr_1pbz 1 . 1 . 378 . 2 1 15 GLU HA H -2.333 19.531 -5.586 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 1 . 379 . 2 1 15 GLU HB2 H -4.198 18.213 -5.861 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 1 . 380 . 2 1 15 GLU HB3 H -4.203 17.565 -4.260 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 1 . 381 . 2 1 15 GLU HG2 H -4.917 20.440 -4.054 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 1 . 382 . 2 1 15 GLU HG3 H -5.902 19.654 -5.267 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 1 . 383 . 2 1 15 GLU N N -1.750 17.765 -4.516 . . . 1.0 . . . . . . . . . . . . B . 14 GLU N . . . . . . . . . rr_1pbz 1 . 1 . 384 . 2 1 15 GLU O O -1.700 21.044 -3.702 . . . 1.0 . . . . . . . . . . . . B . 14 GLU O . . . . . . . . . rr_1pbz 1 . 1 . 385 . 2 1 15 GLU OE1 O -7.143 18.172 -3.647 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 1 . 386 . 2 1 15 GLU OE2 O -5.971 19.169 -2.102 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 1 . 387 . 2 1 16 ALA C C -0.752 19.697 -0.518 . . . 1.0 . . . . . . . . . . . . B . 15 ALA C . . . . . . . . . rr_1pbz 1 . 1 . 388 . 2 1 16 ALA CA C -2.109 20.303 -1.031 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 1 . 389 . 2 1 16 ALA CB C -3.251 20.062 -0.050 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 1 . 390 . 2 1 16 ALA H H -3.138 18.704 -2.201 . . . 1.0 . . . . . . . . . . . . B . 15 ALA H . . . . . . . . . rr_1pbz 1 . 1 . 391 . 2 1 16 ALA HA H -2.011 21.398 -1.199 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 1 . 392 . 2 1 16 ALA HB1 H -3.020 20.560 0.904 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 1 . 393 . 2 1 16 ALA HB2 H -4.202 20.456 -0.450 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 1 . 394 . 2 1 16 ALA HB3 H -3.366 18.978 0.145 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 1 . 395 . 2 1 16 ALA N N -2.591 19.585 -2.240 . . . 1.0 . . . . . . . . . . . . B . 15 ALA N . . . . . . . . . rr_1pbz 1 . 1 . 396 . 2 1 16 ALA O O -0.595 19.409 0.670 . . . 1.0 . . . . . . . . . . . . B . 15 ALA O . . . . . . . . . rr_1pbz 1 . 1 . 397 . 2 1 17 GLY C C 1.879 18.131 0.015 . . . 1.0 . . . . . . . . . . . . B . 16 GLY C . . . . . . . . . rr_1pbz 1 . 1 . 398 . 2 1 17 GLY CA C 1.523 18.842 -1.315 . . . 1.0 . . . . . . . . . . . . B . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 1 . 399 . 2 1 17 GLY H H -0.417 19.324 -2.139 . . . 1.0 . . . . . . . . . . . . B . 16 GLY H . . . . . . . . . rr_1pbz 1 . 1 . 400 . 2 1 17 GLY HA2 H 1.550 18.115 -2.162 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 1 . 401 . 2 1 17 GLY HA3 H 2.379 19.487 -1.565 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 1 . 402 . 2 1 17 GLY N N 0.253 19.663 -1.417 . . . 1.0 . . . . . . . . . . . . B . 16 GLY N . . . . . . . . . rr_1pbz 1 . 1 . 403 . 2 1 17 GLY O O 2.697 18.477 0.867 . . . 1.0 . . . . . . . . . . . . B . 16 GLY O . . . . . . . . . rr_1pbz 1 . 1 . 404 . 2 1 18 CYS C C 0.151 16.806 2.441 . . . 1.0 . . . . . . . . . . . . B . 17 CYS C . . . . . . . . . rr_1pbz 1 . 1 . 405 . 2 1 18 CYS CA C 0.757 16.152 1.149 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 1 . 406 . 2 1 18 CYS CB C 1.923 15.181 1.416 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 1 . 407 . 2 1 18 CYS H H 0.442 17.254 -0.772 . . . 1.0 . . . . . . . . . . . . B . 17 CYS H . . . . . . . . . rr_1pbz 1 . 1 . 408 . 2 1 18 CYS HA H -0.088 15.552 0.713 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 1 . 409 . 2 1 18 CYS HB2 H 2.294 14.731 0.476 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 1 . 410 . 2 1 18 CYS HB3 H 2.788 15.700 1.870 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 1 . 411 . 2 1 18 CYS N N 1.075 17.076 0.036 . . . 1.0 . . . . . . . . . . . . B . 17 CYS N . . . . . . . . . rr_1pbz 1 . 1 . 412 . 2 1 18 CYS O O -0.988 16.541 2.817 . . . 1.0 . . . . . . . . . . . . B . 17 CYS O . . . . . . . . . rr_1pbz 1 . 1 . 413 . 2 1 18 CYS SG S 1.382 13.843 2.499 . . . 1.0 . . . . . . . . . . . . B . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 1 . 414 . 2 1 19 NH2 HN1 H 1.660 18.049 2.681 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 1 . 415 . 2 1 19 NH2 HN2 H 0.268 18.136 3.874 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 1 . 416 . 2 1 19 NH2 N N 0.837 17.667 3.167 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 1 . 417 . 3 2 1 PC3 C C -4.952 3.973 -0.355 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C . . . . . . . . . rr_1pbz 1 . 1 . 418 . 3 2 1 PC3 C1 C -5.112 5.306 0.227 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C1 . . . . . . . . . rr_1pbz 1 . 1 . 419 . 3 2 1 PC3 C10 C -1.675 0.190 -2.704 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C10 . . . . . . . . . rr_1pbz 1 . 1 . 420 . 3 2 1 PC3 C11 C 4.740 4.922 -1.704 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C11 . . . . . . . . . rr_1pbz 1 . 1 . 421 . 3 2 1 PC3 C12 C -2.975 10.597 1.370 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C12 . . . . . . . . . rr_1pbz 1 . 1 . 422 . 3 2 1 PC3 C14 C -6.081 2.897 -0.356 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C14 . . . . . . . . . rr_1pbz 1 . 1 . 423 . 3 2 1 PC3 C15 C -5.816 1.356 -0.324 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C15 . . . . . . . . . rr_1pbz 1 . 1 . 424 . 3 2 1 PC3 C16 C 1.387 1.076 -3.565 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C16 . . . . . . . . . rr_1pbz 1 . 1 . 425 . 3 2 1 PC3 C17 C 2.380 1.889 -4.470 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C17 . . . . . . . . . rr_1pbz 1 . 1 . 426 . 3 2 1 PC3 C18 C 4.307 7.991 -0.467 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C18 . . . . . . . . . rr_1pbz 1 . 1 . 427 . 3 2 1 PC3 C19 C 3.749 9.134 0.405 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C19 . . . . . . . . . rr_1pbz 1 . 1 . 428 . 3 2 1 PC3 C2 C -2.054 9.384 1.063 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2 . . . . . . . . . rr_1pbz 1 . 1 . 429 . 3 2 1 PC3 C21 C -4.963 0.733 0.795 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C21 . . . . . . . . . rr_1pbz 1 . 1 . 430 . 3 2 1 PC3 C22 C -4.671 9.961 3.199 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C22 . . . . . . . . . rr_1pbz 1 . 1 . 431 . 3 2 1 PC3 C23 C 4.697 10.303 0.681 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C23 . . . . . . . . . rr_1pbz 1 . 1 . 432 . 3 2 1 PC3 C24 C 1.902 3.144 -5.226 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C24 . . . . . . . . . rr_1pbz 1 . 1 . 433 . 3 2 1 PC3 C2A C -3.812 5.906 0.190 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2A . . . . . . . . . rr_1pbz 1 . 1 . 434 . 3 2 1 PC3 C2C C -3.551 3.933 -0.694 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2C . . . . . . . . . rr_1pbz 1 . 1 . 435 . 3 2 1 PC3 C3 C -0.616 9.580 0.952 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C3 . . . . . . . . . rr_1pbz 1 . 1 . 436 . 3 2 1 PC3 C4 C 3.276 6.915 -0.727 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4 . . . . . . . . . rr_1pbz 1 . 1 . 437 . 3 2 1 PC3 C4A C -0.128 8.375 0.394 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4A . . . . . . . . . rr_1pbz 1 . 1 . 438 . 3 2 1 PC3 C4C C -2.249 8.004 0.645 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4C . . . . . . . . . rr_1pbz 1 . 1 . 439 . 3 2 1 PC3 C5 C 3.466 5.586 -1.233 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C5 . . . . . . . . . rr_1pbz 1 . 1 . 440 . 3 2 1 PC3 C6 C 0.443 1.808 -2.572 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6 . . . . . . . . . rr_1pbz 1 . 1 . 441 . 3 2 1 PC3 C6A C 2.173 5.028 -1.257 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6A . . . . . . . . . rr_1pbz 1 . 1 . 442 . 3 2 1 PC3 C6C C 1.892 7.001 -0.479 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6C . . . . . . . . . rr_1pbz 1 . 1 . 443 . 3 2 1 PC3 C7 C -0.939 1.461 -2.282 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C7 . . . . . . . . . rr_1pbz 1 . 1 . 444 . 3 2 1 PC3 C8 C 0.219 10.832 1.274 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8 . . . . . . . . . rr_1pbz 1 . 1 . 445 . 3 2 1 PC3 C8A C -1.484 2.633 -1.670 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8A . . . . . . . . . rr_1pbz 1 . 1 . 446 . 3 2 1 PC3 C8C C 0.618 3.057 -1.908 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8C . . . . . . . . . rr_1pbz 1 . 1 . 447 . 3 2 1 PC3 C9 C -6.401 5.897 0.801 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C9 . . . . . . . . . rr_1pbz 1 . 1 . 448 . 3 2 1 PC3 CA C -3.499 7.256 0.668 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CA . . . . . . . . . rr_1pbz 1 . 1 . 449 . 3 2 1 PC3 CB C 1.261 8.168 0.055 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CB . . . . . . . . . rr_1pbz 1 . 1 . 450 . 3 2 1 PC3 CC C 1.895 3.708 -1.724 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CC . . . . . . . . . rr_1pbz 1 . 1 . 451 . 3 2 1 PC3 CD C -2.877 2.812 -1.321 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CD . . . . . . . . . rr_1pbz 1 . 1 . 452 . 3 2 1 PC3 CO3 Co -0.848 5.480 -0.612 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CO3 . . . . . . . . . rr_1pbz 1 . 1 . 453 . 3 2 1 PC3 CX5 C -4.456 10.485 1.795 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CX5 . . . . . . . . . rr_1pbz 1 . 1 . 454 . 3 2 1 PC3 H101 H -2.390 -0.154 -1.931 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H101 . . . . . . . . . rr_1pbz 1 . 1 . 455 . 3 2 1 PC3 H102 H -2.246 0.338 -3.640 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H102 . . . . . . . . . rr_1pbz 1 . 1 . 456 . 3 2 1 PC3 H103 H -0.980 -0.653 -2.879 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H103 . . . . . . . . . rr_1pbz 1 . 1 . 457 . 3 2 1 PC3 H111 H 5.298 4.456 -0.871 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H111 . . . . . . . . . rr_1pbz 1 . 1 . 458 . 3 2 1 PC3 H112 H 5.419 5.658 -2.176 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H112 . . . . . . . . . rr_1pbz 1 . 1 . 459 . 3 2 1 PC3 H113 H 4.541 4.140 -2.461 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H113 . . . . . . . . . rr_1pbz 1 . 1 . 460 . 3 2 1 PC3 H121 H -2.938 11.270 0.495 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H121 . . . . . . . . . rr_1pbz 1 . 1 . 461 . 3 2 1 PC3 H122 H -2.494 11.190 2.174 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H122 . . . . . . . . . rr_1pbz 1 . 1 . 462 . 3 2 1 PC3 H141 H -6.722 3.095 0.525 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H141 . . . . . . . . . rr_1pbz 1 . 1 . 463 . 3 2 1 PC3 H142 H -6.750 3.114 -1.211 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H142 . . . . . . . . . rr_1pbz 1 . 1 . 464 . 3 2 1 PC3 H151 H -6.797 0.848 -0.271 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H151 . . . . . . . . . rr_1pbz 1 . 1 . 465 . 3 2 1 PC3 H152 H -5.408 1.012 -1.286 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H152 . . . . . . . . . rr_1pbz 1 . 1 . 466 . 3 2 1 PC3 H161 H 0.755 0.489 -4.259 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H161 . . . . . . . . . rr_1pbz 1 . 1 . 467 . 3 2 1 PC3 H162 H 1.957 0.305 -3.014 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H162 . . . . . . . . . rr_1pbz 1 . 1 . 468 . 3 2 1 PC3 H171 H 2.787 1.202 -5.235 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H171 . . . . . . . . . rr_1pbz 1 . 1 . 469 . 3 2 1 PC3 H172 H 3.276 2.182 -3.901 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H172 . . . . . . . . . rr_1pbz 1 . 1 . 470 . 3 2 1 PC3 H181 H 4.676 8.406 -1.426 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H181 . . . . . . . . . rr_1pbz 1 . 1 . 471 . 3 2 1 PC3 H182 H 5.206 7.562 0.017 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H182 . . . . . . . . . rr_1pbz 1 . 1 . 472 . 3 2 1 PC3 H191 H 3.429 8.742 1.386 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H191 . . . . . . . . . rr_1pbz 1 . 1 . 473 . 3 2 1 PC3 H192 H 2.855 9.573 -0.067 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H192 . . . . . . . . . rr_1pbz 1 . 1 . 474 . 3 2 1 PC3 H221 H -5.064 9.886 1.104 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H221 . . . . . . . . . rr_1pbz 1 . 1 . 475 . 3 2 1 PC3 H222 H -4.912 11.491 1.770 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H222 . . . . . . . . . rr_1pbz 1 . 1 . 476 . 3 2 1 PC3 H81 H -0.383 11.656 1.698 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H81 . . . . . . . . . rr_1pbz 1 . 1 . 477 . 3 2 1 PC3 H82 H 1.005 10.615 2.022 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H82 . . . . . . . . . rr_1pbz 1 . 1 . 478 . 3 2 1 PC3 H83 H 0.731 11.239 0.382 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H83 . . . . . . . . . rr_1pbz 1 . 1 . 479 . 3 2 1 PC3 H91 H -6.469 6.994 0.675 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H91 . . . . . . . . . rr_1pbz 1 . 1 . 480 . 3 2 1 PC3 H92 H -7.306 5.473 0.326 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H92 . . . . . . . . . rr_1pbz 1 . 1 . 481 . 3 2 1 PC3 H93 H -6.486 5.699 1.887 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H93 . . . . . . . . . rr_1pbz 1 . 1 . 482 . 3 2 1 PC3 HA H -4.334 7.786 1.107 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HA . . . . . . . . . rr_1pbz 1 . 1 . 483 . 3 2 1 PC3 HB H 1.926 9.002 0.250 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HB . . . . . . . . . rr_1pbz 1 . 1 . 484 . 3 2 1 PC3 HC H 2.758 3.152 -2.064 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HC . . . . . . . . . rr_1pbz 1 . 1 . 485 . 3 2 1 PC3 HD H -3.507 1.967 -1.551 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HD . . . . . . . . . rr_1pbz 1 . 1 . 486 . 3 2 1 PC3 N2B N -2.848 5.084 -0.354 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N2B . . . . . . . . . rr_1pbz 1 . 1 . 487 . 3 2 1 PC3 N4B N -1.088 7.400 0.189 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N4B . . . . . . . . . rr_1pbz 1 . 1 . 488 . 3 2 1 PC3 N6B N 1.184 5.862 -0.792 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N6B . . . . . . . . . rr_1pbz 1 . 1 . 489 . 3 2 1 PC3 N8B N -0.554 3.620 -1.442 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N8B . . . . . . . . . rr_1pbz 1 . 1 . 490 . 3 2 1 PC3 O1 O -3.874 1.298 1.077 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O1 . . . . . . . . . rr_1pbz 1 . 1 . 491 . 3 2 1 PC3 O2 O -5.314 -0.338 1.318 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O2 . . . . . . . . . rr_1pbz 1 . 1 . 492 . 3 2 1 PC3 O22 O -4.339 8.771 3.408 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O22 . . . . . . . . . rr_1pbz 1 . 1 . 493 . 3 2 1 PC3 O23 O 5.668 10.509 -0.068 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O23 . . . . . . . . . rr_1pbz 1 . 1 . 494 . 3 2 1 PC3 O3 O -5.184 10.694 4.061 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O3 . . . . . . . . . rr_1pbz 1 . 1 . 495 . 3 2 1 PC3 O4 O 4.412 11.044 1.639 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O4 . . . . . . . . . rr_1pbz 1 . 1 . 496 . 3 2 1 PC3 O5 O 1.353 4.063 -4.566 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O5 . . . . . . . . . rr_1pbz 1 . 1 . 497 . 3 2 1 PC3 O6 O 2.042 3.215 -6.455 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O6 . . . . . . . . . rr_1pbz 1 . 2 . 498 . 1 1 2 CYS C C -3.613 -3.036 -0.569 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . rr_1pbz 1 . 2 . 499 . 1 1 2 CYS CA C -5.161 -2.887 -0.843 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 2 . 500 . 1 1 2 CYS CB C -5.382 -1.667 -1.768 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 2 . 501 . 1 1 2 CYS H H -6.211 -1.677 0.762 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H . . . . . . . . . rr_1pbz 1 . 2 . 502 . 1 1 2 CYS HA H -5.453 -3.803 -1.439 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 2 . 503 . 1 1 2 CYS HB2 H -4.992 -0.746 -1.301 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 2 . 504 . 1 1 2 CYS HB3 H -4.812 -1.786 -2.708 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 2 . 505 . 1 1 2 CYS N N -6.043 -2.617 0.350 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . rr_1pbz 1 . 2 . 506 . 1 1 2 CYS O O -2.895 -3.409 -1.501 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . rr_1pbz 1 . 2 . 507 . 1 1 2 CYS SG S -7.110 -1.375 -2.207 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 2 . 508 . 1 1 3 GLY C C -1.157 -2.399 2.274 . . . 1.0 . . . . . . . . . . . . A . 2 GLY C . . . . . . . . . rr_1pbz 1 . 2 . 509 . 1 1 3 GLY CA C -1.596 -2.656 0.815 . . . 1.0 . . . . . . . . . . . . A . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 2 . 510 . 1 1 3 GLY H H -3.662 -2.832 1.457 . . . 1.0 . . . . . . . . . . . . A . 2 GLY H . . . . . . . . . rr_1pbz 1 . 2 . 511 . 1 1 3 GLY HA2 H -1.089 -3.536 0.377 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 2 . 512 . 1 1 3 GLY HA3 H -1.244 -1.802 0.198 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 2 . 513 . 1 1 3 GLY N N -3.058 -2.757 0.635 . . . 1.0 . . . . . . . . . . . . A . 2 GLY N . . . . . . . . . rr_1pbz 1 . 2 . 514 . 1 1 3 GLY O O -1.156 -1.254 2.729 . . . 1.0 . . . . . . . . . . . . A . 2 GLY O . . . . . . . . . rr_1pbz 1 . 2 . 515 . 1 1 4 ALA C C 1.391 -2.752 4.260 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . rr_1pbz 1 . 2 . 516 . 1 1 4 ALA CA C -0.090 -3.263 4.342 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 2 . 517 . 1 1 4 ALA CB C -0.230 -4.584 5.084 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 2 . 518 . 1 1 4 ALA H H -1.020 -4.373 2.693 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . rr_1pbz 1 . 2 . 519 . 1 1 4 ALA HA H -0.643 -2.500 4.933 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 2 . 520 . 1 1 4 ALA HB1 H 0.299 -5.398 4.557 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 2 . 521 . 1 1 4 ALA HB2 H 0.203 -4.486 6.096 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 2 . 522 . 1 1 4 ALA HB3 H -1.293 -4.859 5.206 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 2 . 523 . 1 1 4 ALA N N -0.767 -3.441 3.024 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . rr_1pbz 1 . 2 . 524 . 1 1 4 ALA O O 1.826 -2.014 5.146 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . rr_1pbz 1 . 2 . 525 . 1 1 5 GLU C C 3.259 -0.885 2.580 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . rr_1pbz 1 . 2 . 526 . 1 1 5 GLU CA C 3.451 -2.414 2.916 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 2 . 527 . 1 1 5 GLU CB C 4.188 -3.147 1.795 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 2 . 528 . 1 1 5 GLU CD C 6.042 -4.313 3.235 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 2 . 529 . 1 1 5 GLU CG C 4.965 -4.441 2.167 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 2 . 530 . 1 1 5 GLU H H 1.813 -3.875 2.631 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . rr_1pbz 1 . 2 . 531 . 1 1 5 GLU HA H 4.109 -2.471 3.786 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 2 . 532 . 1 1 5 GLU HB2 H 3.450 -3.322 0.992 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 2 . 533 . 1 1 5 GLU HB3 H 4.923 -2.424 1.413 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 2 . 534 . 1 1 5 GLU HG2 H 4.261 -5.226 2.492 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 2 . 535 . 1 1 5 GLU HG3 H 5.464 -4.859 1.277 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 2 . 536 . 1 1 5 GLU N N 2.166 -3.111 3.218 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . rr_1pbz 1 . 2 . 537 . 1 1 5 GLU O O 4.005 -0.042 3.082 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . rr_1pbz 1 . 2 . 538 . 1 1 5 GLU OE1 O 7.065 -3.618 3.042 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 2 . 539 . 1 1 5 GLU OE2 O 5.880 -4.923 4.312 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 2 . 540 . 1 1 6 ALA C C 1.400 1.542 2.968 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . rr_1pbz 1 . 2 . 541 . 1 1 6 ALA CA C 1.766 0.869 1.607 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 2 . 542 . 1 1 6 ALA CB C 0.512 0.830 0.726 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 2 . 543 . 1 1 6 ALA H H 1.694 -1.377 1.502 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . rr_1pbz 1 . 2 . 544 . 1 1 6 ALA HA H 2.527 1.530 1.101 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 2 . 545 . 1 1 6 ALA HB1 H -0.315 0.301 1.229 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 2 . 546 . 1 1 6 ALA HB2 H 0.699 0.331 -0.237 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 2 . 547 . 1 1 6 ALA HB3 H 0.157 1.852 0.545 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 2 . 548 . 1 1 6 ALA N N 2.234 -0.540 1.769 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . rr_1pbz 1 . 2 . 549 . 1 1 6 ALA O O 1.850 2.653 3.176 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . rr_1pbz 1 . 2 . 550 . 1 1 7 ALA C C 1.736 1.627 6.148 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_1pbz 1 . 2 . 551 . 1 1 7 ALA CA C 0.436 1.432 5.276 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 2 . 552 . 1 1 7 ALA CB C -0.429 0.365 5.921 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 2 . 553 . 1 1 7 ALA H H 0.281 -0.006 3.585 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_1pbz 1 . 2 . 554 . 1 1 7 ALA HA H -0.167 2.382 5.281 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 2 . 555 . 1 1 7 ALA HB1 H -1.343 0.166 5.341 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 2 . 556 . 1 1 7 ALA HB2 H 0.147 -0.573 6.009 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 2 . 557 . 1 1 7 ALA HB3 H -0.691 0.677 6.944 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 2 . 558 . 1 1 7 ALA N N 0.615 0.930 3.877 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_1pbz 1 . 2 . 559 . 1 1 7 ALA O O 1.866 2.653 6.820 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_1pbz 1 . 2 . 560 . 1 1 8 LYS C C 4.851 2.053 6.138 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1pbz 1 . 2 . 561 . 1 1 8 LYS CA C 4.052 0.828 6.727 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 2 . 562 . 1 1 8 LYS CB C 4.668 -0.581 6.462 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 2 . 563 . 1 1 8 LYS CD C 6.514 -2.240 6.180 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 2 . 564 . 1 1 8 LYS CE C 7.901 -2.818 6.506 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 2 . 565 . 1 1 8 LYS CG C 6.123 -0.913 6.875 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 2 . 566 . 1 1 8 LYS H H 2.465 -0.176 5.547 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1pbz 1 . 2 . 567 . 1 1 8 LYS HA H 3.955 1.040 7.817 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 2 . 568 . 1 1 8 LYS HB2 H 4.014 -1.352 6.921 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 2 . 569 . 1 1 8 LYS HB3 H 4.575 -0.783 5.375 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 2 . 570 . 1 1 8 LYS HD2 H 5.740 -3.016 6.385 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 2 . 571 . 1 1 8 LYS HD3 H 6.432 -2.071 5.085 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 2 . 572 . 1 1 8 LYS HE2 H 8.697 -2.059 6.360 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 2 . 573 . 1 1 8 LYS HE3 H 7.949 -3.124 7.575 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 2 . 574 . 1 1 8 LYS HG2 H 6.802 -0.091 6.578 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 2 . 575 . 1 1 8 LYS HG3 H 6.198 -0.997 7.976 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 2 . 576 . 1 1 8 LYS HZ1 H 7.263 -4.606 5.562 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 2 . 577 . 1 1 8 LYS HZ2 H 7.979 -3.728 4.575 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 2 . 578 . 1 1 8 LYS HZ3 H 8.929 -4.559 5.657 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 2 . 579 . 1 1 8 LYS N N 2.680 0.656 6.141 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1pbz 1 . 2 . 580 . 1 1 8 LYS NZ N 8.092 -3.975 5.587 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 2 . 581 . 1 1 8 LYS O O 5.479 2.817 6.877 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1pbz 1 . 2 . 582 . 1 1 9 ALA C C 4.470 4.769 4.445 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_1pbz 1 . 2 . 583 . 1 1 9 ALA CA C 5.252 3.448 4.109 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 2 . 584 . 1 1 9 ALA CB C 5.082 3.145 2.647 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 2 . 585 . 1 1 9 ALA H H 4.331 1.469 4.303 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_1pbz 1 . 2 . 586 . 1 1 9 ALA HA H 6.335 3.595 4.202 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 2 . 587 . 1 1 9 ALA HB1 H 5.621 3.933 2.102 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 2 . 588 . 1 1 9 ALA HB2 H 5.476 2.172 2.331 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 2 . 589 . 1 1 9 ALA HB3 H 4.018 3.230 2.356 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 2 . 590 . 1 1 9 ALA N N 4.818 2.220 4.809 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_1pbz 1 . 2 . 591 . 1 1 9 ALA O O 5.086 5.826 4.586 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_1pbz 1 . 2 . 592 . 1 1 10 HIS C C 2.736 6.267 6.541 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_1pbz 1 . 2 . 593 . 1 1 10 HIS CA C 2.288 5.809 5.108 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 2 . 594 . 1 1 10 HIS CB C 0.822 5.357 4.909 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 2 . 595 . 1 1 10 HIS CD2 C 0.576 5.606 2.261 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 2 . 596 . 1 1 10 HIS CE1 C -1.025 4.140 1.997 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 2 . 597 . 1 1 10 HIS CG C 0.242 5.073 3.504 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 2 . 598 . 1 1 10 HIS H H 2.700 3.805 4.286 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_1pbz 1 . 2 . 599 . 1 1 10 HIS HA H 2.448 6.715 4.503 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 2 . 600 . 1 1 10 HIS HB2 H 0.704 4.443 5.517 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 2 . 601 . 1 1 10 HIS HB3 H 0.179 6.110 5.384 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 2 . 602 . 1 1 10 HIS HD1 H -1.069 3.424 4.074 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 2 . 603 . 1 1 10 HIS HD2 H 1.395 6.274 2.025 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 2 . 604 . 1 1 10 HIS HE1 H -1.740 3.447 1.556 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 2 . 605 . 1 1 10 HIS N N 3.128 4.705 4.583 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_1pbz 1 . 2 . 606 . 1 1 10 HIS ND1 N -0.714 4.062 3.353 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 2 . 607 . 1 1 10 HIS NE2 N -0.321 5.116 1.380 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 2 . 608 . 1 1 10 HIS O O 3.129 7.429 6.638 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_1pbz 1 . 2 . 609 . 1 1 11 ALA C C 4.950 6.282 8.734 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_1pbz 1 . 2 . 610 . 1 1 11 ALA CA C 3.489 5.709 8.864 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 2 . 611 . 1 1 11 ALA CB C 3.455 4.337 9.587 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 2 . 612 . 1 1 11 ALA H H 2.117 4.628 7.645 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_1pbz 1 . 2 . 613 . 1 1 11 ALA HA H 2.905 6.451 9.436 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 2 . 614 . 1 1 11 ALA HB1 H 3.936 4.392 10.580 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 2 . 615 . 1 1 11 ALA HB2 H 4.000 3.551 9.023 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 2 . 616 . 1 1 11 ALA HB3 H 2.429 3.956 9.746 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 2 . 617 . 1 1 11 ALA N N 2.786 5.407 7.590 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_1pbz 1 . 2 . 618 . 1 1 11 ALA O O 5.242 7.347 9.280 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_1pbz 1 . 2 . 619 . 1 1 12 LYS C C 7.235 7.648 7.084 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_1pbz 1 . 2 . 620 . 1 1 12 LYS CA C 7.190 6.160 7.600 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 2 . 621 . 1 1 12 LYS CB C 7.760 5.100 6.606 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 2 . 622 . 1 1 12 LYS CD C 9.202 4.701 4.496 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 2 . 623 . 1 1 12 LYS CE C 9.092 3.159 4.401 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 2 . 624 . 1 1 12 LYS CG C 9.125 5.344 5.909 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 2 . 625 . 1 1 12 LYS H H 5.332 4.917 7.367 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_1pbz 1 . 2 . 626 . 1 1 12 LYS HA H 7.793 6.160 8.530 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 2 . 627 . 1 1 12 LYS HB2 H 7.775 4.110 7.103 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 2 . 628 . 1 1 12 LYS HB3 H 7.003 4.990 5.812 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 2 . 629 . 1 1 12 LYS HD2 H 8.376 5.140 3.895 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 2 . 630 . 1 1 12 LYS HD3 H 10.103 5.075 3.966 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 2 . 631 . 1 1 12 LYS HE2 H 8.250 2.782 5.027 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 2 . 632 . 1 1 12 LYS HE3 H 8.804 2.874 3.360 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 2 . 633 . 1 1 12 LYS HG2 H 9.279 6.437 5.780 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 2 . 634 . 1 1 12 LYS HG3 H 9.959 5.032 6.565 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 2 . 635 . 1 1 12 LYS HZ1 H 10.421 1.527 4.724 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 2 . 636 . 1 1 12 LYS HZ2 H 10.662 2.806 5.749 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 2 . 637 . 1 1 12 LYS HZ3 H 11.169 2.896 4.202 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 2 . 638 . 1 1 12 LYS N N 5.827 5.625 7.944 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_1pbz 1 . 2 . 639 . 1 1 12 LYS NZ N 10.396 2.553 4.789 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 2 . 640 . 1 1 12 LYS O O 7.966 8.477 7.642 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_1pbz 1 . 2 . 641 . 1 1 13 ALA C C 5.491 10.210 6.686 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . rr_1pbz 1 . 2 . 642 . 1 1 13 ALA CA C 6.192 9.345 5.582 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 2 . 643 . 1 1 13 ALA CB C 5.451 9.232 4.234 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 2 . 644 . 1 1 13 ALA H H 5.909 7.167 5.679 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . rr_1pbz 1 . 2 . 645 . 1 1 13 ALA HA H 7.168 9.824 5.379 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 2 . 646 . 1 1 13 ALA HB1 H 5.229 10.231 3.815 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 2 . 647 . 1 1 13 ALA HB2 H 4.487 8.697 4.335 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 2 . 648 . 1 1 13 ALA HB3 H 6.048 8.690 3.477 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 2 . 649 . 1 1 13 ALA N N 6.454 7.961 6.034 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . rr_1pbz 1 . 2 . 650 . 1 1 13 ALA O O 6.190 10.928 7.368 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . rr_1pbz 1 . 2 . 651 . 1 1 14 ALA C C 4.257 11.110 9.466 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_1pbz 1 . 2 . 652 . 1 1 14 ALA CA C 3.487 10.748 8.125 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 2 . 653 . 1 1 14 ALA CB C 2.316 9.784 8.374 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 2 . 654 . 1 1 14 ALA H H 3.775 9.463 6.307 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_1pbz 1 . 2 . 655 . 1 1 14 ALA HA H 3.036 11.696 7.789 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 2 . 656 . 1 1 14 ALA HB1 H 2.685 8.802 8.724 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 2 . 657 . 1 1 14 ALA HB2 H 1.633 10.177 9.144 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 2 . 658 . 1 1 14 ALA HB3 H 1.715 9.609 7.460 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 2 . 659 . 1 1 14 ALA N N 4.190 10.136 6.939 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_1pbz 1 . 2 . 660 . 1 1 14 ALA O O 3.985 12.146 10.075 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_1pbz 1 . 2 . 661 . 1 1 15 GLU C C 7.439 11.361 10.462 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . rr_1pbz 1 . 2 . 662 . 1 1 15 GLU CA C 6.197 10.500 10.952 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 2 . 663 . 1 1 15 GLU CB C 6.579 9.099 11.526 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 2 . 664 . 1 1 15 GLU CD C 6.559 9.085 14.136 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 2 . 665 . 1 1 15 GLU CG C 7.382 9.089 12.858 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 2 . 666 . 1 1 15 GLU H H 5.349 9.558 9.123 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . rr_1pbz 1 . 2 . 667 . 1 1 15 GLU HA H 5.709 11.067 11.770 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 2 . 668 . 1 1 15 GLU HB2 H 5.670 8.479 11.672 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 2 . 669 . 1 1 15 GLU HB3 H 7.152 8.541 10.760 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 2 . 670 . 1 1 15 GLU HG2 H 8.000 8.180 12.916 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 2 . 671 . 1 1 15 GLU HG3 H 8.090 9.934 12.918 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 2 . 672 . 1 1 15 GLU N N 5.196 10.244 9.871 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . rr_1pbz 1 . 2 . 673 . 1 1 15 GLU O O 7.564 12.523 10.859 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . rr_1pbz 1 . 2 . 674 . 1 1 15 GLU OE1 O 6.031 8.013 14.498 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 2 . 675 . 1 1 15 GLU OE2 O 6.478 10.135 14.803 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 2 . 676 . 1 1 16 ALA C C 9.219 12.556 7.824 . . . 1.0 . . . . . . . . . . . . A . 15 ALA C . . . . . . . . . rr_1pbz 1 . 2 . 677 . 1 1 16 ALA CA C 9.517 11.622 9.063 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 2 . 678 . 1 1 16 ALA CB C 10.644 10.602 8.806 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 2 . 679 . 1 1 16 ALA H H 8.145 9.863 9.329 . . . 1.0 . . . . . . . . . . . . A . 15 ALA H . . . . . . . . . rr_1pbz 1 . 2 . 680 . 1 1 16 ALA HA H 9.881 12.307 9.856 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 2 . 681 . 1 1 16 ALA HB1 H 11.567 11.107 8.466 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 2 . 682 . 1 1 16 ALA HB2 H 10.905 10.043 9.725 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 2 . 683 . 1 1 16 ALA HB3 H 10.365 9.864 8.032 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 2 . 684 . 1 1 16 ALA N N 8.360 10.832 9.614 . . . 1.0 . . . . . . . . . . . . A . 15 ALA N . . . . . . . . . rr_1pbz 1 . 2 . 685 . 1 1 16 ALA O O 9.678 13.698 7.758 . . . 1.0 . . . . . . . . . . . . A . 15 ALA O . . . . . . . . . rr_1pbz 1 . 2 . 686 . 1 1 17 GLY C C 6.657 13.607 6.138 . . . 1.0 . . . . . . . . . . . . A . 16 GLY C . . . . . . . . . rr_1pbz 1 . 2 . 687 . 1 1 17 GLY CA C 7.899 12.785 5.701 . . . 1.0 . . . . . . . . . . . . A . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 2 . 688 . 1 1 17 GLY H H 8.040 11.191 7.161 . . . 1.0 . . . . . . . . . . . . A . 16 GLY H . . . . . . . . . rr_1pbz 1 . 2 . 689 . 1 1 17 GLY HA2 H 8.598 13.423 5.166 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 2 . 690 . 1 1 17 GLY HA3 H 7.545 12.014 4.981 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 2 . 691 . 1 1 17 GLY N N 8.534 12.016 6.805 . . . 1.0 . . . . . . . . . . . . A . 16 GLY N . . . . . . . . . rr_1pbz 1 . 2 . 692 . 1 1 17 GLY O O 6.715 14.433 7.050 . . . 1.0 . . . . . . . . . . . . A . 16 GLY O . . . . . . . . . rr_1pbz 1 . 2 . 693 . 1 1 18 CYS C C 3.963 15.374 5.964 . . . 1.0 . . . . . . . . . . . . A . 17 CYS C . . . . . . . . . rr_1pbz 1 . 2 . 694 . 1 1 18 CYS CA C 4.202 13.839 5.947 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 2 . 695 . 1 1 18 CYS CB C 3.348 13.336 4.742 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 2 . 696 . 1 1 18 CYS H H 5.628 12.749 4.662 . . . 1.0 . . . . . . . . . . . . A . 17 CYS H . . . . . . . . . rr_1pbz 1 . 2 . 697 . 1 1 18 CYS HA H 4.040 13.362 6.948 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 2 . 698 . 1 1 18 CYS HB2 H 3.269 12.233 4.735 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 2 . 699 . 1 1 18 CYS HB3 H 2.288 13.660 4.828 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 2 . 700 . 1 1 18 CYS N N 5.518 13.343 5.484 . . . 1.0 . . . . . . . . . . . . A . 17 CYS N . . . . . . . . . rr_1pbz 1 . 2 . 701 . 1 1 18 CYS O O 4.520 16.192 5.224 . . . 1.0 . . . . . . . . . . . . A . 17 CYS O . . . . . . . . . rr_1pbz 1 . 2 . 702 . 1 1 18 CYS SG S 3.973 13.896 3.123 . . . 1.0 . . . . . . . . . . . . A . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 2 . 703 . 1 1 19 NH2 HN1 H 2.643 15.026 7.471 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 2 . 704 . 1 1 19 NH2 HN2 H 2.841 16.725 6.990 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 2 . 705 . 1 1 19 NH2 N N 3.084 15.735 6.875 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 2 . 706 . 2 1 2 CYS C C -6.379 -0.618 -7.301 . . . 1.0 . . . . . . . . . . . . B . 1 CYS C . . . . . . . . . rr_1pbz 1 . 2 . 707 . 2 1 2 CYS CA C -6.626 -1.846 -6.338 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 2 . 708 . 2 1 2 CYS CB C -7.704 -1.602 -5.261 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 2 . 709 . 2 1 2 CYS H H -4.949 -1.923 -4.824 . . . 1.0 . . . . . . . . . . . . B . 1 CYS H . . . . . . . . . rr_1pbz 1 . 2 . 710 . 2 1 2 CYS HA H -7.060 -2.622 -7.022 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 2 . 711 . 2 1 2 CYS HB2 H -8.631 -1.235 -5.733 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 2 . 712 . 2 1 2 CYS HB3 H -7.967 -2.556 -4.769 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 2 . 713 . 2 1 2 CYS N N -5.449 -2.399 -5.594 . . . 1.0 . . . . . . . . . . . . B . 1 CYS N . . . . . . . . . rr_1pbz 1 . 2 . 714 . 2 1 2 CYS O O -7.028 -0.558 -8.351 . . . 1.0 . . . . . . . . . . . . B . 1 CYS O . . . . . . . . . rr_1pbz 1 . 2 . 715 . 2 1 2 CYS SG S -7.214 -0.427 -3.978 . . . 1.0 . . . . . . . . . . . . B . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 2 . 716 . 2 1 3 GLY C C -5.817 2.791 -7.880 . . . 1.0 . . . . . . . . . . . . B . 2 GLY C . . . . . . . . . rr_1pbz 1 . 2 . 717 . 2 1 3 GLY CA C -5.087 1.433 -7.946 . . . 1.0 . . . . . . . . . . . . B . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 2 . 718 . 2 1 3 GLY H H -4.978 0.277 -6.128 . . . 1.0 . . . . . . . . . . . . B . 2 GLY H . . . . . . . . . rr_1pbz 1 . 2 . 719 . 2 1 3 GLY HA2 H -4.012 1.627 -7.747 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 2 . 720 . 2 1 3 GLY HA3 H -5.097 1.068 -8.990 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 2 . 721 . 2 1 3 GLY N N -5.524 0.376 -6.993 . . . 1.0 . . . . . . . . . . . . B . 2 GLY N . . . . . . . . . rr_1pbz 1 . 2 . 722 . 2 1 3 GLY O O -5.190 3.845 -7.963 . . . 1.0 . . . . . . . . . . . . B . 2 GLY O . . . . . . . . . rr_1pbz 1 . 2 . 723 . 2 1 4 ALA C C -8.308 4.791 -6.643 . . . 1.0 . . . . . . . . . . . . B . 3 ALA C . . . . . . . . . rr_1pbz 1 . 2 . 724 . 2 1 4 ALA CA C -8.009 3.968 -7.935 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 2 . 725 . 2 1 4 ALA CB C -9.269 3.432 -8.613 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 2 . 726 . 2 1 4 ALA H H -7.495 1.817 -7.598 . . . 1.0 . . . . . . . . . . . . B . 3 ALA H . . . . . . . . . rr_1pbz 1 . 2 . 727 . 2 1 4 ALA HA H -7.513 4.689 -8.629 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 2 . 728 . 2 1 4 ALA HB1 H -9.785 2.695 -7.969 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 2 . 729 . 2 1 4 ALA HB2 H -9.972 4.255 -8.821 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 2 . 730 . 2 1 4 ALA HB3 H -9.024 2.938 -9.572 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 2 . 731 . 2 1 4 ALA N N -7.148 2.765 -7.787 . . . 1.0 . . . . . . . . . . . . B . 3 ALA N . . . . . . . . . rr_1pbz 1 . 2 . 732 . 2 1 4 ALA O O -8.156 6.016 -6.688 . . . 1.0 . . . . . . . . . . . . B . 3 ALA O . . . . . . . . . rr_1pbz 1 . 2 . 733 . 2 1 5 GLU C C -7.318 5.436 -3.741 . . . 1.0 . . . . . . . . . . . . B . 4 GLU C . . . . . . . . . rr_1pbz 1 . 2 . 734 . 2 1 5 GLU CA C -8.734 4.908 -4.192 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 2 . 735 . 2 1 5 GLU CB C -9.517 4.065 -3.159 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 2 . 736 . 2 1 5 GLU CD C -11.909 5.176 -3.568 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 2 . 737 . 2 1 5 GLU CG C -11.059 3.917 -3.385 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 2 . 738 . 2 1 5 GLU H H -9.100 3.242 -5.576 . . . 1.0 . . . . . . . . . . . . B . 4 GLU H . . . . . . . . . rr_1pbz 1 . 2 . 739 . 2 1 5 GLU HA H -9.309 5.824 -4.353 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 2 . 740 . 2 1 5 GLU HB2 H -9.050 3.063 -3.091 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 2 . 741 . 2 1 5 GLU HB3 H -9.359 4.519 -2.165 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 2 . 742 . 2 1 5 GLU HG2 H -11.253 3.284 -4.267 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 2 . 743 . 2 1 5 GLU HG3 H -11.501 3.369 -2.535 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 2 . 744 . 2 1 5 GLU N N -8.700 4.181 -5.501 . . . 1.0 . . . . . . . . . . . . B . 4 GLU N . . . . . . . . . rr_1pbz 1 . 2 . 745 . 2 1 5 GLU O O -7.176 6.554 -3.225 . . . 1.0 . . . . . . . . . . . . B . 4 GLU O . . . . . . . . . rr_1pbz 1 . 2 . 746 . 2 1 5 GLU OE1 O -12.078 5.619 -4.722 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 2 . 747 . 2 1 5 GLU OE2 O -12.437 5.726 -2.579 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 2 . 748 . 2 1 6 ALA C C -4.669 6.396 -4.938 . . . 1.0 . . . . . . . . . . . . B . 5 ALA C . . . . . . . . . rr_1pbz 1 . 2 . 749 . 2 1 6 ALA CA C -4.856 5.161 -4.006 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 2 . 750 . 2 1 6 ALA CB C -3.959 4.053 -4.581 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 2 . 751 . 2 1 6 ALA H H -6.576 3.846 -4.593 . . . 1.0 . . . . . . . . . . . . B . 5 ALA H . . . . . . . . . rr_1pbz 1 . 2 . 752 . 2 1 6 ALA HA H -4.522 5.464 -2.979 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 2 . 753 . 2 1 6 ALA HB1 H -4.297 3.770 -5.600 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 2 . 754 . 2 1 6 ALA HB2 H -2.926 4.399 -4.747 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 2 . 755 . 2 1 6 ALA HB3 H -3.959 3.136 -3.984 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 2 . 756 . 2 1 6 ALA N N -6.255 4.654 -4.032 . . . 1.0 . . . . . . . . . . . . B . 5 ALA N . . . . . . . . . rr_1pbz 1 . 2 . 757 . 2 1 6 ALA O O -4.198 7.418 -4.442 . . . 1.0 . . . . . . . . . . . . B . 5 ALA O . . . . . . . . . rr_1pbz 1 . 2 . 758 . 2 1 7 ALA C C -5.495 8.800 -6.748 . . . 1.0 . . . . . . . . . . . . B . 6 ALA C . . . . . . . . . rr_1pbz 1 . 2 . 759 . 2 1 7 ALA CA C -4.825 7.431 -7.181 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 2 . 760 . 2 1 7 ALA CB C -5.405 6.967 -8.509 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 2 . 761 . 2 1 7 ALA H H -5.466 5.446 -6.583 . . . 1.0 . . . . . . . . . . . . B . 6 ALA H . . . . . . . . . rr_1pbz 1 . 2 . 762 . 2 1 7 ALA HA H -3.719 7.440 -7.280 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 2 . 763 . 2 1 7 ALA HB1 H -5.298 7.762 -9.263 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 2 . 764 . 2 1 7 ALA HB2 H -4.891 6.064 -8.870 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 2 . 765 . 2 1 7 ALA HB3 H -6.483 6.746 -8.408 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 2 . 766 . 2 1 7 ALA N N -5.025 6.320 -6.242 . . . 1.0 . . . . . . . . . . . . B . 6 ALA N . . . . . . . . . rr_1pbz 1 . 2 . 767 . 2 1 7 ALA O O -4.835 9.835 -6.674 . . . 1.0 . . . . . . . . . . . . B . 6 ALA O . . . . . . . . . rr_1pbz 1 . 2 . 768 . 2 1 8 LYS C C -6.928 10.447 -4.478 . . . 1.0 . . . . . . . . . . . . B . 7 LYS C . . . . . . . . . rr_1pbz 1 . 2 . 769 . 2 1 8 LYS CA C -7.610 9.810 -5.739 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 2 . 770 . 2 1 8 LYS CB C -8.945 9.048 -5.415 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 2 . 771 . 2 1 8 LYS CD C -10.744 8.451 -3.746 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 2 . 772 . 2 1 8 LYS CE C -11.591 8.749 -2.504 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 2 . 773 . 2 1 8 LYS CG C -9.957 9.620 -4.379 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 2 . 774 . 2 1 8 LYS H H -7.204 7.809 -6.585 . . . 1.0 . . . . . . . . . . . . B . 7 LYS H . . . . . . . . . rr_1pbz 1 . 2 . 775 . 2 1 8 LYS HA H -7.779 10.647 -6.454 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 2 . 776 . 2 1 8 LYS HB2 H -9.474 8.816 -6.361 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 2 . 777 . 2 1 8 LYS HB3 H -8.651 8.042 -5.042 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 2 . 778 . 2 1 8 LYS HD2 H -11.314 7.908 -4.527 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 2 . 779 . 2 1 8 LYS HD3 H -10.011 7.688 -3.413 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 2 . 780 . 2 1 8 LYS HE2 H -11.528 7.863 -1.830 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 2 . 781 . 2 1 8 LYS HE3 H -11.162 9.575 -1.900 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 2 . 782 . 2 1 8 LYS HG2 H -9.417 10.171 -3.585 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 2 . 783 . 2 1 8 LYS HG3 H -10.616 10.368 -4.856 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 2 . 784 . 2 1 8 LYS HZ1 H -13.667 9.096 -2.144 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 2 . 785 . 2 1 8 LYS HZ2 H -13.110 9.714 -3.595 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 2 . 786 . 2 1 8 LYS HZ3 H -13.318 8.110 -3.406 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 2 . 787 . 2 1 8 LYS N N -6.803 8.744 -6.417 . . . 1.0 . . . . . . . . . . . . B . 7 LYS N . . . . . . . . . rr_1pbz 1 . 2 . 788 . 2 1 8 LYS NZ N -13.000 8.960 -2.914 . . . 1.0 . . . . . . . . . . . . B . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 2 . 789 . 2 1 8 LYS O O -6.740 11.666 -4.421 . . . 1.0 . . . . . . . . . . . . B . 7 LYS O . . . . . . . . . rr_1pbz 1 . 2 . 790 . 2 1 9 ALA C C -4.307 10.770 -2.766 . . . 1.0 . . . . . . . . . . . . B . 8 ALA C . . . . . . . . . rr_1pbz 1 . 2 . 791 . 2 1 9 ALA CA C -5.677 10.117 -2.360 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 2 . 792 . 2 1 9 ALA CB C -5.321 8.874 -1.572 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 2 . 793 . 2 1 9 ALA H H -6.806 8.645 -3.567 . . . 1.0 . . . . . . . . . . . . B . 8 ALA H . . . . . . . . . rr_1pbz 1 . 2 . 794 . 2 1 9 ALA HA H -6.255 10.766 -1.667 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 2 . 795 . 2 1 9 ALA HB1 H -6.216 8.357 -1.201 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 2 . 796 . 2 1 9 ALA HB2 H -4.711 8.182 -2.179 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 2 . 797 . 2 1 9 ALA HB3 H -4.715 9.206 -0.719 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 2 . 798 . 2 1 9 ALA N N -6.544 9.641 -3.468 . . . 1.0 . . . . . . . . . . . . B . 8 ALA N . . . . . . . . . rr_1pbz 1 . 2 . 799 . 2 1 9 ALA O O -3.820 11.687 -2.102 . . . 1.0 . . . . . . . . . . . . B . 8 ALA O . . . . . . . . . rr_1pbz 1 . 2 . 800 . 2 1 10 HIS C C -2.478 12.129 -4.995 . . . 1.0 . . . . . . . . . . . . B . 9 HIS C . . . . . . . . . rr_1pbz 1 . 2 . 801 . 2 1 10 HIS CA C -2.350 10.714 -4.326 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 2 . 802 . 2 1 10 HIS CB C -1.787 9.524 -5.143 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 2 . 803 . 2 1 10 HIS CD2 C -1.440 8.052 -2.974 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 2 . 804 . 2 1 10 HIS CE1 C -0.983 6.152 -3.952 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 2 . 805 . 2 1 10 HIS CG C -1.411 8.245 -4.357 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 2 . 806 . 2 1 10 HIS H H -4.239 9.562 -4.385 . . . 1.0 . . . . . . . . . . . . B . 9 HIS H . . . . . . . . . rr_1pbz 1 . 2 . 807 . 2 1 10 HIS HA H -1.641 10.860 -3.488 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 2 . 808 . 2 1 10 HIS HB2 H -2.531 9.246 -5.913 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 2 . 809 . 2 1 10 HIS HB3 H -0.915 9.882 -5.713 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 2 . 810 . 2 1 10 HIS HD1 H -1.216 6.860 -6.036 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 2 . 811 . 2 1 10 HIS HD2 H -1.698 8.800 -2.223 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 2 . 812 . 2 1 10 HIS HE1 H -0.776 5.101 -4.146 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 2 . 813 . 2 1 10 HIS N N -3.659 10.219 -3.810 . . . 1.0 . . . . . . . . . . . . B . 9 HIS N . . . . . . . . . rr_1pbz 1 . 2 . 814 . 2 1 10 HIS ND1 N -1.173 7.043 -5.023 . . . 1.0 . . . . . . . . . . . . B . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 2 . 815 . 2 1 10 HIS NE2 N -1.098 6.771 -2.746 . . . 1.0 . . . . . . . . . . . . B . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 2 . 816 . 2 1 10 HIS O O -1.707 13.028 -4.648 . . . 1.0 . . . . . . . . . . . . B . 9 HIS O . . . . . . . . . rr_1pbz 1 . 2 . 817 . 2 1 11 ALA C C -4.413 14.630 -5.225 . . . 1.0 . . . . . . . . . . . . B . 10 ALA C . . . . . . . . . rr_1pbz 1 . 2 . 818 . 2 1 11 ALA CA C -3.961 13.629 -6.344 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 2 . 819 . 2 1 11 ALA CB C -5.157 13.247 -7.246 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 2 . 820 . 2 1 11 ALA H H -3.822 11.483 -6.368 . . . 1.0 . . . . . . . . . . . . B . 10 ALA H . . . . . . . . . rr_1pbz 1 . 2 . 821 . 2 1 11 ALA HA H -3.160 14.128 -6.923 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 2 . 822 . 2 1 11 ALA HB1 H -5.955 12.731 -6.671 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 2 . 823 . 2 1 11 ALA HB2 H -5.632 14.141 -7.687 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 2 . 824 . 2 1 11 ALA HB3 H -4.878 12.570 -8.074 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 2 . 825 . 2 1 11 ALA N N -3.487 12.313 -5.868 . . . 1.0 . . . . . . . . . . . . B . 10 ALA N . . . . . . . . . rr_1pbz 1 . 2 . 826 . 2 1 11 ALA O O -4.039 15.792 -5.300 . . . 1.0 . . . . . . . . . . . . B . 10 ALA O . . . . . . . . . rr_1pbz 1 . 2 . 827 . 2 1 12 LYS C C -4.118 15.677 -2.304 . . . 1.0 . . . . . . . . . . . . B . 11 LYS C . . . . . . . . . rr_1pbz 1 . 2 . 828 . 2 1 12 LYS CA C -5.422 15.075 -2.973 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 2 . 829 . 2 1 12 LYS CB C -6.332 14.239 -2.017 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 2 . 830 . 2 1 12 LYS CD C -7.313 16.128 -0.492 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 2 . 831 . 2 1 12 LYS CE C -6.685 17.148 0.482 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 2 . 832 . 2 1 12 LYS CG C -6.555 14.780 -0.580 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 2 . 833 . 2 1 12 LYS H H -5.251 13.174 -4.207 . . . 1.0 . . . . . . . . . . . . B . 11 LYS H . . . . . . . . . rr_1pbz 1 . 2 . 834 . 2 1 12 LYS HA H -6.024 15.945 -3.293 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 2 . 835 . 2 1 12 LYS HB2 H -7.310 14.072 -2.509 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 2 . 836 . 2 1 12 LYS HB3 H -5.903 13.225 -1.910 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 2 . 837 . 2 1 12 LYS HD2 H -7.455 16.587 -1.495 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 2 . 838 . 2 1 12 LYS HD3 H -8.352 15.918 -0.174 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 2 . 839 . 2 1 12 LYS HE2 H -7.481 17.835 0.847 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 2 . 840 . 2 1 12 LYS HE3 H -6.292 16.650 1.397 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 2 . 841 . 2 1 12 LYS HG2 H -7.103 14.019 0.010 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 2 . 842 . 2 1 12 LYS HG3 H -5.572 14.836 -0.067 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 2 . 843 . 2 1 12 LYS HZ1 H -6.020 18.488 -1.022 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 2 . 844 . 2 1 12 LYS HZ2 H -5.162 18.697 0.313 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 2 . 845 . 2 1 12 LYS HZ3 H -4.898 17.417 -0.703 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 2 . 846 . 2 1 12 LYS N N -5.162 14.209 -4.183 . . . 1.0 . . . . . . . . . . . . B . 11 LYS N . . . . . . . . . rr_1pbz 1 . 2 . 847 . 2 1 12 LYS NZ N -5.633 17.947 -0.204 . . . 1.0 . . . . . . . . . . . . B . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 2 . 848 . 2 1 12 LYS O O -3.907 16.900 -2.169 . . . 1.0 . . . . . . . . . . . . B . 11 LYS O . . . . . . . . . rr_1pbz 1 . 2 . 849 . 2 1 13 ALA C C -1.089 16.088 -2.420 . . . 1.0 . . . . . . . . . . . . B . 12 ALA C . . . . . . . . . rr_1pbz 1 . 2 . 850 . 2 1 13 ALA CA C -1.855 15.085 -1.478 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 2 . 851 . 2 1 13 ALA CB C -1.194 13.707 -1.254 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 2 . 852 . 2 1 13 ALA H H -3.550 13.796 -2.031 . . . 1.0 . . . . . . . . . . . . B . 12 ALA H . . . . . . . . . rr_1pbz 1 . 2 . 853 . 2 1 13 ALA HA H -1.958 15.589 -0.498 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 2 . 854 . 2 1 13 ALA HB1 H -0.132 13.800 -0.966 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 2 . 855 . 2 1 13 ALA HB2 H -1.223 13.070 -2.156 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 2 . 856 . 2 1 13 ALA HB3 H -1.702 13.171 -0.436 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 2 . 857 . 2 1 13 ALA N N -3.229 14.762 -1.908 . . . 1.0 . . . . . . . . . . . . B . 12 ALA N . . . . . . . . . rr_1pbz 1 . 2 . 858 . 2 1 13 ALA O O -0.926 17.251 -2.036 . . . 1.0 . . . . . . . . . . . . B . 12 ALA O . . . . . . . . . rr_1pbz 1 . 2 . 859 . 2 1 14 ALA C C -1.083 17.728 -5.225 . . . 1.0 . . . . . . . . . . . . B . 13 ALA C . . . . . . . . . rr_1pbz 1 . 2 . 860 . 2 1 14 ALA CA C -0.223 16.501 -4.753 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 2 . 861 . 2 1 14 ALA CB C -0.044 15.490 -5.904 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 2 . 862 . 2 1 14 ALA H H -0.535 14.649 -3.665 . . . 1.0 . . . . . . . . . . . . B . 13 ALA H . . . . . . . . . rr_1pbz 1 . 2 . 863 . 2 1 14 ALA HA H 0.765 16.912 -4.469 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 2 . 864 . 2 1 14 ALA HB1 H 0.615 14.644 -5.635 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 2 . 865 . 2 1 14 ALA HB2 H -1.018 15.062 -6.214 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 2 . 866 . 2 1 14 ALA HB3 H 0.388 15.973 -6.798 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 2 . 867 . 2 1 14 ALA N N -0.718 15.649 -3.638 . . . 1.0 . . . . . . . . . . . . B . 13 ALA N . . . . . . . . . rr_1pbz 1 . 2 . 868 . 2 1 14 ALA O O -0.587 18.550 -5.999 . . . 1.0 . . . . . . . . . . . . B . 13 ALA O . . . . . . . . . rr_1pbz 1 . 2 . 869 . 2 1 15 GLU C C -2.509 20.188 -4.010 . . . 1.0 . . . . . . . . . . . . B . 14 GLU C . . . . . . . . . rr_1pbz 1 . 2 . 870 . 2 1 15 GLU CA C -3.165 19.102 -4.923 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 2 . 871 . 2 1 15 GLU CB C -4.680 18.799 -4.754 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 2 . 872 . 2 1 15 GLU CD C -6.033 19.688 -2.731 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 2 . 873 . 2 1 15 GLU CG C -5.633 19.895 -4.181 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 2 . 874 . 2 1 15 GLU H H -2.569 17.078 -4.101 . . . 1.0 . . . . . . . . . . . . B . 14 GLU H . . . . . . . . . rr_1pbz 1 . 2 . 875 . 2 1 15 GLU HA H -3.044 19.486 -5.955 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 2 . 876 . 2 1 15 GLU HB2 H -5.031 18.504 -5.760 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 2 . 877 . 2 1 15 GLU HB3 H -4.813 17.875 -4.172 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 2 . 878 . 2 1 15 GLU HG2 H -5.206 20.909 -4.281 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 2 . 879 . 2 1 15 GLU HG3 H -6.573 19.917 -4.757 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 2 . 880 . 2 1 15 GLU N N -2.351 17.838 -4.787 . . . 1.0 . . . . . . . . . . . . B . 14 GLU N . . . . . . . . . rr_1pbz 1 . 2 . 881 . 2 1 15 GLU O O -2.241 21.303 -4.471 . . . 1.0 . . . . . . . . . . . . B . 14 GLU O . . . . . . . . . rr_1pbz 1 . 2 . 882 . 2 1 15 GLU OE1 O -6.933 18.863 -2.470 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 2 . 883 . 2 1 15 GLU OE2 O -5.417 20.263 -1.814 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 2 . 884 . 2 1 16 ALA C C 0.167 19.996 -2.359 . . . 1.0 . . . . . . . . . . . . B . 15 ALA C . . . . . . . . . rr_1pbz 1 . 2 . 885 . 2 1 16 ALA CA C -1.245 20.630 -1.954 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 2 . 886 . 2 1 16 ALA CB C -1.747 20.604 -0.491 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 2 . 887 . 2 1 16 ALA H H -2.645 18.925 -2.460 . . . 1.0 . . . . . . . . . . . . B . 15 ALA H . . . . . . . . . rr_1pbz 1 . 2 . 888 . 2 1 16 ALA HA H -1.228 21.685 -2.286 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 2 . 889 . 2 1 16 ALA HB1 H -2.757 21.056 -0.410 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 2 . 890 . 2 1 16 ALA HB2 H -1.086 21.190 0.173 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 2 . 891 . 2 1 16 ALA HB3 H -1.814 19.580 -0.080 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 2 . 892 . 2 1 16 ALA N N -2.224 19.841 -2.736 . . . 1.0 . . . . . . . . . . . . B . 15 ALA N . . . . . . . . . rr_1pbz 1 . 2 . 893 . 2 1 16 ALA O O 0.605 20.087 -3.508 . . . 1.0 . . . . . . . . . . . . B . 15 ALA O . . . . . . . . . rr_1pbz 1 . 2 . 894 . 2 1 17 GLY C C 1.822 17.165 -1.208 . . . 1.0 . . . . . . . . . . . . B . 16 GLY C . . . . . . . . . rr_1pbz 1 . 2 . 895 . 2 1 17 GLY CA C 2.144 18.590 -1.684 . . . 1.0 . . . . . . . . . . . . B . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 2 . 896 . 2 1 17 GLY H H 0.234 18.925 -0.945 . . . 1.0 . . . . . . . . . . . . B . 16 GLY H . . . . . . . . . rr_1pbz 1 . 2 . 897 . 2 1 17 GLY HA2 H 2.301 18.458 -2.778 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 2 . 898 . 2 1 17 GLY HA3 H 3.081 18.928 -1.239 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 2 . 899 . 2 1 17 GLY N N 0.960 19.493 -1.416 . . . 1.0 . . . . . . . . . . . . B . 16 GLY N . . . . . . . . . rr_1pbz 1 . 2 . 900 . 2 1 17 GLY O O 1.909 16.167 -1.925 . . . 1.0 . . . . . . . . . . . . B . 16 GLY O . . . . . . . . . rr_1pbz 1 . 2 . 901 . 2 1 18 CYS C C 0.036 16.664 1.991 . . . 1.0 . . . . . . . . . . . . B . 17 CYS C . . . . . . . . . rr_1pbz 1 . 2 . 902 . 2 1 18 CYS CA C 0.799 16.045 0.763 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 2 . 903 . 2 1 18 CYS CB C 1.784 14.926 1.142 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 2 . 904 . 2 1 18 CYS H H 1.669 18.007 0.601 . . . 1.0 . . . . . . . . . . . . B . 17 CYS H . . . . . . . . . rr_1pbz 1 . 2 . 905 . 2 1 18 CYS HA H 0.040 15.733 0.001 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 2 . 906 . 2 1 18 CYS HB2 H 1.226 14.054 1.518 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 2 . 907 . 2 1 18 CYS HB3 H 2.349 14.589 0.256 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 2 . 908 . 2 1 18 CYS N N 1.487 17.143 0.090 . . . 1.0 . . . . . . . . . . . . B . 17 CYS N . . . . . . . . . rr_1pbz 1 . 2 . 909 . 2 1 18 CYS O O 0.486 17.580 2.682 . . . 1.0 . . . . . . . . . . . . B . 17 CYS O . . . . . . . . . rr_1pbz 1 . 2 . 910 . 2 1 18 CYS SG S 2.947 15.467 2.416 . . . 1.0 . . . . . . . . . . . . B . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 2 . 911 . 2 1 19 NH2 HN1 H -1.324 15.261 2.220 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 2 . 912 . 2 1 19 NH2 HN2 H -1.454 16.777 3.153 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 2 . 913 . 2 1 19 NH2 N N -1.180 16.291 2.299 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 2 . 914 . 3 2 1 PC3 C C 3.289 7.415 -1.451 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C . . . . . . . . . rr_1pbz 1 . 2 . 915 . 3 2 1 PC3 C1 C 2.747 8.527 -0.697 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C1 . . . . . . . . . rr_1pbz 1 . 2 . 916 . 3 2 1 PC3 C10 C 2.697 2.275 -3.592 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C10 . . . . . . . . . rr_1pbz 1 . 2 . 917 . 3 2 1 PC3 C11 C -4.924 2.070 -1.179 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C11 . . . . . . . . . rr_1pbz 1 . 2 . 918 . 3 2 1 PC3 C12 C -1.571 11.127 1.451 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C12 . . . . . . . . . rr_1pbz 1 . 2 . 919 . 3 2 1 PC3 C14 C 4.780 7.014 -1.474 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C14 . . . . . . . . . rr_1pbz 1 . 2 . 920 . 3 2 1 PC3 C15 C 5.216 6.299 -0.154 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C15 . . . . . . . . . rr_1pbz 1 . 2 . 921 . 3 2 1 PC3 C16 C -0.255 0.857 -3.517 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C16 . . . . . . . . . rr_1pbz 1 . 2 . 922 . 3 2 1 PC3 C17 C -1.781 0.536 -3.688 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C17 . . . . . . . . . rr_1pbz 1 . 2 . 923 . 3 2 1 PC3 C18 C -6.162 4.737 0.377 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C18 . . . . . . . . . rr_1pbz 1 . 2 . 924 . 3 2 1 PC3 C19 C -5.900 5.071 1.847 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C19 . . . . . . . . . rr_1pbz 1 . 2 . 925 . 3 2 1 PC3 C2 C -1.816 9.658 1.183 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2 . . . . . . . . . rr_1pbz 1 . 2 . 926 . 3 2 1 PC3 C21 C 4.289 5.178 0.299 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C21 . . . . . . . . . rr_1pbz 1 . 2 . 927 . 3 2 1 PC3 C22 C -1.108 12.996 3.034 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C22 . . . . . . . . . rr_1pbz 1 . 2 . 928 . 3 2 1 PC3 C23 C -7.159 5.418 2.594 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C23 . . . . . . . . . rr_1pbz 1 . 2 . 929 . 3 2 1 PC3 C24 C -2.437 0.530 -5.044 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C24 . . . . . . . . . rr_1pbz 1 . 2 . 930 . 3 2 1 PC3 C2A C 1.405 8.144 -0.411 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2A . . . . . . . . . rr_1pbz 1 . 2 . 931 . 3 2 1 PC3 C2C C 2.199 6.468 -1.514 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2C . . . . . . . . . rr_1pbz 1 . 2 . 932 . 3 2 1 PC3 C3 C -3.085 8.986 1.290 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C3 . . . . . . . . . rr_1pbz 1 . 2 . 933 . 3 2 1 PC3 C4 C -4.808 4.528 -0.212 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4 . . . . . . . . . rr_1pbz 1 . 2 . 934 . 3 2 1 PC3 C4A C -2.854 7.728 0.675 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4A . . . . . . . . . rr_1pbz 1 . 2 . 935 . 3 2 1 PC3 C4C C -0.944 8.722 0.571 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4C . . . . . . . . . rr_1pbz 1 . 2 . 936 . 3 2 1 PC3 C5 C -4.249 3.373 -0.825 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C5 . . . . . . . . . rr_1pbz 1 . 2 . 937 . 3 2 1 PC3 C6 C 0.182 2.127 -2.725 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6 . . . . . . . . . rr_1pbz 1 . 2 . 938 . 3 2 1 PC3 C6A C -2.894 3.698 -0.979 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6A . . . . . . . . . rr_1pbz 1 . 2 . 939 . 3 2 1 PC3 C6C C -3.741 5.430 -0.093 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6C . . . . . . . . . rr_1pbz 1 . 2 . 940 . 3 2 1 PC3 C7 C 1.469 2.803 -2.849 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C7 . . . . . . . . . rr_1pbz 1 . 2 . 941 . 3 2 1 PC3 C8 C -4.355 9.539 1.955 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8 . . . . . . . . . rr_1pbz 1 . 2 . 942 . 3 2 1 PC3 C8A C 1.277 4.083 -2.229 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8A . . . . . . . . . rr_1pbz 1 . 2 . 943 . 3 2 1 PC3 C8C C -0.593 3.040 -1.947 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8C . . . . . . . . . rr_1pbz 1 . 2 . 944 . 3 2 1 PC3 C9 C 3.505 9.769 -0.227 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C9 . . . . . . . . . rr_1pbz 1 . 2 . 945 . 3 2 1 PC3 CA C 0.456 8.966 0.299 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CA . . . . . . . . . rr_1pbz 1 . 2 . 946 . 3 2 1 PC3 CB C -3.866 6.719 0.506 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CB . . . . . . . . . rr_1pbz 1 . 2 . 947 . 3 2 1 PC3 CC C -1.926 2.786 -1.470 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CC . . . . . . . . . rr_1pbz 1 . 2 . 948 . 3 2 1 PC3 CD C 2.257 5.160 -2.179 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CD . . . . . . . . . rr_1pbz 1 . 2 . 949 . 3 2 1 PC3 CO3 Co -0.698 5.885 -0.696 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CO3 . . . . . . . . . rr_1pbz 1 . 2 . 950 . 3 2 1 PC3 CX5 C -1.246 11.490 2.909 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CX5 . . . . . . . . . rr_1pbz 1 . 2 . 951 . 3 2 1 PC3 H101 H 2.426 1.672 -4.476 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H101 . . . . . . . . . rr_1pbz 1 . 2 . 952 . 3 2 1 PC3 H102 H 3.309 1.625 -2.935 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H102 . . . . . . . . . rr_1pbz 1 . 2 . 953 . 3 2 1 PC3 H103 H 3.362 3.076 -3.963 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H103 . . . . . . . . . rr_1pbz 1 . 2 . 954 . 3 2 1 PC3 H111 H -5.873 2.261 -1.716 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H111 . . . . . . . . . rr_1pbz 1 . 2 . 955 . 3 2 1 PC3 H112 H -4.304 1.441 -1.843 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H112 . . . . . . . . . rr_1pbz 1 . 2 . 956 . 3 2 1 PC3 H113 H -5.181 1.479 -0.280 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H113 . . . . . . . . . rr_1pbz 1 . 2 . 957 . 3 2 1 PC3 H121 H -2.473 11.692 1.141 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H121 . . . . . . . . . rr_1pbz 1 . 2 . 958 . 3 2 1 PC3 H122 H -0.764 11.518 0.803 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H122 . . . . . . . . . rr_1pbz 1 . 2 . 959 . 3 2 1 PC3 H141 H 4.988 6.342 -2.329 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H141 . . . . . . . . . rr_1pbz 1 . 2 . 960 . 3 2 1 PC3 H142 H 5.418 7.900 -1.644 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H142 . . . . . . . . . rr_1pbz 1 . 2 . 961 . 3 2 1 PC3 H151 H 5.293 7.022 0.678 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H151 . . . . . . . . . rr_1pbz 1 . 2 . 962 . 3 2 1 PC3 H152 H 6.227 5.869 -0.259 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H152 . . . . . . . . . rr_1pbz 1 . 2 . 963 . 3 2 1 PC3 H161 H 0.184 0.911 -4.534 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H161 . . . . . . . . . rr_1pbz 1 . 2 . 964 . 3 2 1 PC3 H162 H 0.239 -0.032 -3.082 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H162 . . . . . . . . . rr_1pbz 1 . 2 . 965 . 3 2 1 PC3 H171 H -2.079 -0.376 -3.138 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H171 . . . . . . . . . rr_1pbz 1 . 2 . 966 . 3 2 1 PC3 H172 H -2.412 1.341 -3.326 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H172 . . . . . . . . . rr_1pbz 1 . 2 . 967 . 3 2 1 PC3 H181 H -6.795 3.833 0.289 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H181 . . . . . . . . . rr_1pbz 1 . 2 . 968 . 3 2 1 PC3 H182 H -6.708 5.555 -0.134 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H182 . . . . . . . . . rr_1pbz 1 . 2 . 969 . 3 2 1 PC3 H191 H -5.224 5.936 1.942 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H191 . . . . . . . . . rr_1pbz 1 . 2 . 970 . 3 2 1 PC3 H192 H -5.421 4.225 2.368 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H192 . . . . . . . . . rr_1pbz 1 . 2 . 971 . 3 2 1 PC3 H221 H -2.046 11.173 3.601 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H221 . . . . . . . . . rr_1pbz 1 . 2 . 972 . 3 2 1 PC3 H222 H -0.314 11.016 3.264 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H222 . . . . . . . . . rr_1pbz 1 . 2 . 973 . 3 2 1 PC3 H81 H -5.265 8.937 1.770 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H81 . . . . . . . . . rr_1pbz 1 . 2 . 974 . 3 2 1 PC3 H82 H -4.237 9.593 3.055 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H82 . . . . . . . . . rr_1pbz 1 . 2 . 975 . 3 2 1 PC3 H83 H -4.578 10.571 1.627 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H83 . . . . . . . . . rr_1pbz 1 . 2 . 976 . 3 2 1 PC3 H91 H 3.343 10.635 -0.896 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H91 . . . . . . . . . rr_1pbz 1 . 2 . 977 . 3 2 1 PC3 H92 H 4.597 9.594 -0.184 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H92 . . . . . . . . . rr_1pbz 1 . 2 . 978 . 3 2 1 PC3 H93 H 3.205 10.084 0.789 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H93 . . . . . . . . . rr_1pbz 1 . 2 . 979 . 3 2 1 PC3 HA H 0.831 9.930 0.626 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HA . . . . . . . . . rr_1pbz 1 . 2 . 980 . 3 2 1 PC3 HB H -4.856 6.969 0.875 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HB . . . . . . . . . rr_1pbz 1 . 2 . 981 . 3 2 1 PC3 HC H -2.259 1.757 -1.475 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HC . . . . . . . . . rr_1pbz 1 . 2 . 982 . 3 2 1 PC3 HD H 3.220 4.920 -2.612 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HD . . . . . . . . . rr_1pbz 1 . 2 . 983 . 3 2 1 PC3 N2B N 1.061 6.892 -0.876 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N2B . . . . . . . . . rr_1pbz 1 . 2 . 984 . 3 2 1 PC3 N4B N -1.551 7.530 0.243 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N4B . . . . . . . . . rr_1pbz 1 . 2 . 985 . 3 2 1 PC3 N6B N -2.555 4.971 -0.606 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N6B . . . . . . . . . rr_1pbz 1 . 2 . 986 . 3 2 1 PC3 N8B N 0.034 4.233 -1.668 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N8B . . . . . . . . . rr_1pbz 1 . 2 . 987 . 3 2 1 PC3 O1 O 3.335 5.472 1.049 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O1 . . . . . . . . . rr_1pbz 1 . 2 . 988 . 3 2 1 PC3 O2 O 4.357 4.056 -0.238 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O2 . . . . . . . . . rr_1pbz 1 . 2 . 989 . 3 2 1 PC3 O22 O -2.047 13.705 2.619 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O22 . . . . . . . . . rr_1pbz 1 . 2 . 990 . 3 2 1 PC3 O23 O -7.724 4.532 3.260 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O23 . . . . . . . . . rr_1pbz 1 . 2 . 991 . 3 2 1 PC3 O3 O -0.062 13.463 3.511 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O3 . . . . . . . . . rr_1pbz 1 . 2 . 992 . 3 2 1 PC3 O4 O -7.548 6.601 2.539 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O4 . . . . . . . . . rr_1pbz 1 . 2 . 993 . 3 2 1 PC3 O5 O -3.471 -0.146 -5.162 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O5 . . . . . . . . . rr_1pbz 1 . 2 . 994 . 3 2 1 PC3 O6 O -2.051 1.335 -5.913 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O6 . . . . . . . . . rr_1pbz 1 . 3 . 995 . 1 1 2 CYS C C -3.220 -2.350 0.860 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . rr_1pbz 1 . 3 . 996 . 1 1 2 CYS CA C -2.799 -2.524 -0.647 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 3 . 997 . 1 1 2 CYS CB C -3.985 -2.935 -1.556 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 3 . 998 . 1 1 2 CYS H H -1.802 -4.539 -1.064 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H . . . . . . . . . rr_1pbz 1 . 3 . 999 . 1 1 2 CYS HA H -2.527 -1.468 -0.940 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 3 . 1000 . 1 1 2 CYS HB2 H -3.698 -2.918 -2.626 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1001 . 1 1 2 CYS HB3 H -4.336 -3.960 -1.338 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1002 . 1 1 2 CYS N N -1.695 -3.513 -0.943 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . rr_1pbz 1 . 3 . 1003 . 1 1 2 CYS O O -3.864 -1.342 1.148 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . rr_1pbz 1 . 3 . 1004 . 1 1 2 CYS SG S -5.377 -1.797 -1.328 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 3 . 1005 . 1 1 3 GLY C C -2.178 -2.712 4.230 . . . 1.0 . . . . . . . . . . . . A . 2 GLY C . . . . . . . . . rr_1pbz 1 . 3 . 1006 . 1 1 3 GLY CA C -3.309 -3.074 3.245 . . . 1.0 . . . . . . . . . . . . A . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 3 . 1007 . 1 1 3 GLY H H -2.231 -3.970 1.537 . . . 1.0 . . . . . . . . . . . . A . 2 GLY H . . . . . . . . . rr_1pbz 1 . 3 . 1008 . 1 1 3 GLY HA2 H -4.094 -2.294 3.347 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 3 . 1009 . 1 1 3 GLY HA3 H -3.820 -3.992 3.586 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 3 . 1010 . 1 1 3 GLY N N -2.888 -3.240 1.823 . . . 1.0 . . . . . . . . . . . . A . 2 GLY N . . . . . . . . . rr_1pbz 1 . 3 . 1011 . 1 1 3 GLY O O -2.080 -1.557 4.636 . . . 1.0 . . . . . . . . . . . . A . 2 GLY O . . . . . . . . . rr_1pbz 1 . 3 . 1012 . 1 1 4 ALA C C 1.058 -2.903 5.242 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . rr_1pbz 1 . 3 . 1013 . 1 1 4 ALA CA C -0.326 -3.434 5.718 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 3 . 1014 . 1 1 4 ALA CB C -0.217 -4.737 6.493 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 3 . 1015 . 1 1 4 ALA H H -1.404 -4.600 4.230 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . rr_1pbz 1 . 3 . 1016 . 1 1 4 ALA HA H -0.705 -2.666 6.428 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 3 . 1017 . 1 1 4 ALA HB1 H 0.487 -4.601 7.332 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 3 . 1018 . 1 1 4 ALA HB2 H 0.166 -5.548 5.848 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1019 . 1 1 4 ALA HB3 H -1.197 -5.027 6.910 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1020 . 1 1 4 ALA N N -1.355 -3.681 4.672 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . rr_1pbz 1 . 3 . 1021 . 1 1 4 ALA O O 1.619 -2.061 5.940 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . rr_1pbz 1 . 3 . 1022 . 1 1 5 GLU C C 2.457 -1.207 2.974 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . rr_1pbz 1 . 3 . 1023 . 1 1 5 GLU CA C 2.801 -2.658 3.495 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 3 . 1024 . 1 1 5 GLU CB C 3.443 -3.573 2.457 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 3 . 1025 . 1 1 5 GLU CD C 5.403 -4.434 3.990 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 3 . 1026 . 1 1 5 GLU CG C 4.276 -4.774 3.011 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 3 . 1027 . 1 1 5 GLU H H 1.315 -4.257 3.747 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . rr_1pbz 1 . 3 . 1028 . 1 1 5 GLU HA H 3.593 -2.551 4.238 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 3 . 1029 . 1 1 5 GLU HB2 H 2.640 -3.898 1.775 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1030 . 1 1 5 GLU HB3 H 4.122 -2.917 1.890 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1031 . 1 1 5 GLU HG2 H 3.623 -5.501 3.521 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 3 . 1032 . 1 1 5 GLU HG3 H 4.744 -5.327 2.180 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 3 . 1033 . 1 1 5 GLU N N 1.630 -3.355 4.110 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . rr_1pbz 1 . 3 . 1034 . 1 1 5 GLU O O 3.252 -0.274 3.114 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . rr_1pbz 1 . 3 . 1035 . 1 1 5 GLU OE1 O 6.515 -4.094 3.541 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 3 . 1036 . 1 1 5 GLU OE2 O 5.174 -4.496 5.217 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 3 . 1037 . 1 1 6 ALA C C 0.565 1.187 3.488 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . rr_1pbz 1 . 3 . 1038 . 1 1 6 ALA CA C 0.670 0.350 2.171 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 3 . 1039 . 1 1 6 ALA CB C -0.739 0.129 1.603 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 3 . 1040 . 1 1 6 ALA H H 0.703 -1.887 2.427 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . rr_1pbz 1 . 3 . 1041 . 1 1 6 ALA HA H 1.278 0.961 1.445 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 3 . 1042 . 1 1 6 ALA HB1 H -0.719 -0.413 0.648 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 3 . 1043 . 1 1 6 ALA HB2 H -1.369 -0.456 2.304 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1044 . 1 1 6 ALA HB3 H -1.278 1.077 1.447 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1045 . 1 1 6 ALA N N 1.245 -1.008 2.412 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . rr_1pbz 1 . 3 . 1046 . 1 1 6 ALA O O 1.082 2.300 3.489 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . rr_1pbz 1 . 3 . 1047 . 1 1 7 ALA C C 1.460 1.602 6.500 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_1pbz 1 . 3 . 1048 . 1 1 7 ALA CA C 0.020 1.343 5.922 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 3 . 1049 . 1 1 7 ALA CB C -0.672 0.357 6.849 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 3 . 1050 . 1 1 7 ALA H H -0.420 -0.277 4.495 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_1pbz 1 . 3 . 1051 . 1 1 7 ALA HA H -0.592 2.289 5.920 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 3 . 1052 . 1 1 7 ALA HB1 H -0.705 0.766 7.870 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 3 . 1053 . 1 1 7 ALA HB2 H -0.096 -0.585 6.897 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1054 . 1 1 7 ALA HB3 H -1.693 0.130 6.507 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1055 . 1 1 7 ALA N N -0.052 0.691 4.583 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_1pbz 1 . 3 . 1056 . 1 1 7 ALA O O 1.689 2.669 7.067 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_1pbz 1 . 3 . 1057 . 1 1 8 LYS C C 4.499 2.041 5.836 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1pbz 1 . 3 . 1058 . 1 1 8 LYS CA C 3.859 0.873 6.658 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 3 . 1059 . 1 1 8 LYS CB C 4.562 -0.498 6.455 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 3 . 1060 . 1 1 8 LYS CD C 6.554 -0.167 8.082 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 3 . 1061 . 1 1 8 LYS CE C 8.077 -0.222 8.293 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 3 . 1062 . 1 1 8 LYS CG C 6.091 -0.561 6.658 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 3 . 1063 . 1 1 8 LYS H H 2.083 -0.262 5.984 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1pbz 1 . 3 . 1064 . 1 1 8 LYS HA H 3.944 1.173 7.725 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 3 . 1065 . 1 1 8 LYS HB2 H 4.076 -1.267 7.088 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1066 . 1 1 8 LYS HB3 H 4.365 -0.845 5.422 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1067 . 1 1 8 LYS HD2 H 6.219 0.872 8.285 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 3 . 1068 . 1 1 8 LYS HD3 H 6.018 -0.777 8.839 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 3 . 1069 . 1 1 8 LYS HE2 H 8.590 0.406 7.527 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 3 . 1070 . 1 1 8 LYS HE3 H 8.335 0.254 9.268 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 3 . 1071 . 1 1 8 LYS HG2 H 6.406 -1.594 6.401 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 3 . 1072 . 1 1 8 LYS HG3 H 6.584 0.078 5.897 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 3 . 1073 . 1 1 8 LYS HZ1 H 8.280 -2.098 7.346 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 3 . 1074 . 1 1 8 LYS HZ2 H 9.536 -1.796 8.365 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 3 . 1075 . 1 1 8 LYS HZ3 H 8.054 -2.240 8.941 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 3 . 1076 . 1 1 8 LYS N N 2.413 0.646 6.367 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1pbz 1 . 3 . 1077 . 1 1 8 LYS NZ N 8.526 -1.649 8.243 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 3 . 1078 . 1 1 8 LYS O O 5.232 2.849 6.407 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1pbz 1 . 3 . 1079 . 1 1 9 ALA C C 3.785 4.638 4.167 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_1pbz 1 . 3 . 1080 . 1 1 9 ALA CA C 4.535 3.335 3.713 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 3 . 1081 . 1 1 9 ALA CB C 4.126 2.998 2.294 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 3 . 1082 . 1 1 9 ALA H H 3.802 1.287 4.124 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_1pbz 1 . 3 . 1083 . 1 1 9 ALA HA H 5.626 3.502 3.650 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 3 . 1084 . 1 1 9 ALA HB1 H 4.381 3.850 1.642 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 3 . 1085 . 1 1 9 ALA HB2 H 4.658 2.096 1.950 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1086 . 1 1 9 ALA HB3 H 3.041 2.823 2.235 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1087 . 1 1 9 ALA N N 4.236 2.132 4.523 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_1pbz 1 . 3 . 1088 . 1 1 9 ALA O O 4.392 5.701 4.182 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_1pbz 1 . 3 . 1089 . 1 1 10 HIS C C 2.315 6.201 6.539 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_1pbz 1 . 3 . 1090 . 1 1 10 HIS CA C 1.718 5.679 5.166 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 3 . 1091 . 1 1 10 HIS CB C 0.240 5.189 5.117 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 3 . 1092 . 1 1 10 HIS CD2 C -0.148 5.321 2.498 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 3 . 1093 . 1 1 10 HIS CE1 C -1.736 3.827 2.289 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 3 . 1094 . 1 1 10 HIS CG C -0.450 4.841 3.764 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 3 . 1095 . 1 1 10 HIS H H 2.055 3.618 4.407 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_1pbz 1 . 3 . 1096 . 1 1 10 HIS HA H 1.783 6.596 4.560 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 3 . 1097 . 1 1 10 HIS HB2 H 0.195 4.295 5.764 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1098 . 1 1 10 HIS HB3 H -0.377 5.937 5.629 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1099 . 1 1 10 HIS HD1 H -1.891 3.299 4.411 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 3 . 1100 . 1 1 10 HIS HD2 H 0.618 6.025 2.206 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 3 . 1101 . 1 1 10 HIS HE1 H -2.466 3.135 1.881 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 3 . 1102 . 1 1 10 HIS N N 2.484 4.564 4.520 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_1pbz 1 . 3 . 1103 . 1 1 10 HIS ND1 N -1.428 3.837 3.667 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 3 . 1104 . 1 1 10 HIS NE2 N -1.001 4.751 1.627 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 3 . 1105 . 1 1 10 HIS O O 2.515 7.412 6.674 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_1pbz 1 . 3 . 1106 . 1 1 11 ALA C C 4.926 6.226 8.343 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_1pbz 1 . 3 . 1107 . 1 1 11 ALA CA C 3.485 5.700 8.685 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 3 . 1108 . 1 1 11 ALA CB C 3.538 4.387 9.496 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 3 . 1109 . 1 1 11 ALA H H 1.903 4.664 7.768 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_1pbz 1 . 3 . 1110 . 1 1 11 ALA HA H 2.987 6.488 9.278 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 3 . 1111 . 1 1 11 ALA HB1 H 4.146 4.507 10.411 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 3 . 1112 . 1 1 11 ALA HB2 H 4.006 3.566 8.914 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1113 . 1 1 11 ALA HB3 H 2.538 4.034 9.806 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1114 . 1 1 11 ALA N N 2.640 5.335 7.520 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_1pbz 1 . 3 . 1115 . 1 1 11 ALA O O 5.305 7.302 8.814 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_1pbz 1 . 3 . 1116 . 1 1 12 LYS C C 6.934 7.470 6.327 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_1pbz 1 . 3 . 1117 . 1 1 12 LYS CA C 6.994 6.026 6.936 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 3 . 1118 . 1 1 12 LYS CB C 7.554 4.948 5.960 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 3 . 1119 . 1 1 12 LYS CD C 10.106 5.430 6.238 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 3 . 1120 . 1 1 12 LYS CE C 10.725 6.838 6.123 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 3 . 1121 . 1 1 12 LYS CG C 8.917 5.219 5.268 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 3 . 1122 . 1 1 12 LYS H H 5.084 4.853 6.949 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_1pbz 1 . 3 . 1123 . 1 1 12 LYS HA H 7.694 6.102 7.791 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 3 . 1124 . 1 1 12 LYS HB2 H 7.615 3.984 6.499 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1125 . 1 1 12 LYS HB3 H 6.803 4.783 5.166 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1126 . 1 1 12 LYS HD2 H 9.774 5.236 7.281 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 3 . 1127 . 1 1 12 LYS HD3 H 10.882 4.662 6.058 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 3 . 1128 . 1 1 12 LYS HE2 H 11.283 6.959 5.169 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 3 . 1129 . 1 1 12 LYS HE3 H 9.937 7.617 6.084 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 3 . 1130 . 1 1 12 LYS HG2 H 9.147 4.373 4.591 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 3 . 1131 . 1 1 12 LYS HG3 H 8.799 6.079 4.574 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 3 . 1132 . 1 1 12 LYS HZ1 H 11.947 8.024 7.448 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 3 . 1133 . 1 1 12 LYS HZ2 H 11.038 6.994 8.208 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 3 . 1134 . 1 1 12 LYS HZ3 H 12.360 6.417 7.476 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 3 . 1135 . 1 1 12 LYS N N 5.688 5.509 7.481 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_1pbz 1 . 3 . 1136 . 1 1 12 LYS NZ N 11.590 7.069 7.312 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 3 . 1137 . 1 1 12 LYS O O 7.801 8.306 6.582 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_1pbz 1 . 3 . 1138 . 1 1 13 ALA C C 5.266 10.082 6.303 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . rr_1pbz 1 . 3 . 1139 . 1 1 13 ALA CA C 5.499 9.091 5.108 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 3 . 1140 . 1 1 13 ALA CB C 4.281 8.854 4.201 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 3 . 1141 . 1 1 13 ALA H H 5.359 6.911 5.272 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . rr_1pbz 1 . 3 . 1142 . 1 1 13 ALA HA H 6.315 9.478 4.481 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 3 . 1143 . 1 1 13 ALA HB1 H 3.390 8.483 4.723 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 3 . 1144 . 1 1 13 ALA HB2 H 3.998 9.792 3.698 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1145 . 1 1 13 ALA HB3 H 4.509 8.139 3.393 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1146 . 1 1 13 ALA N N 5.882 7.743 5.556 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . rr_1pbz 1 . 3 . 1147 . 1 1 13 ALA O O 6.145 10.849 6.649 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . rr_1pbz 1 . 3 . 1148 . 1 1 14 ALA C C 5.052 10.946 9.367 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_1pbz 1 . 3 . 1149 . 1 1 14 ALA CA C 3.889 10.753 8.298 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 3 . 1150 . 1 1 14 ALA CB C 2.686 9.977 8.860 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 3 . 1151 . 1 1 14 ALA H H 3.565 9.317 6.569 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_1pbz 1 . 3 . 1152 . 1 1 14 ALA HA H 3.558 11.781 8.057 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 3 . 1153 . 1 1 14 ALA HB1 H 2.320 10.431 9.794 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 3 . 1154 . 1 1 14 ALA HB2 H 2.963 8.928 9.083 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1155 . 1 1 14 ALA HB3 H 1.837 9.947 8.149 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1156 . 1 1 14 ALA N N 4.138 10.035 6.998 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_1pbz 1 . 3 . 1157 . 1 1 14 ALA O O 5.021 11.863 10.190 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_1pbz 1 . 3 . 1158 . 1 1 15 GLU C C 8.384 11.081 9.241 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . rr_1pbz 1 . 3 . 1159 . 1 1 15 GLU CA C 7.359 10.147 10.012 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 3 . 1160 . 1 1 15 GLU CB C 7.802 8.663 10.233 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 3 . 1161 . 1 1 15 GLU CD C 10.173 7.556 10.039 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 3 . 1162 . 1 1 15 GLU CG C 9.193 8.370 10.877 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 3 . 1163 . 1 1 15 GLU H H 5.857 9.487 8.465 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . rr_1pbz 1 . 3 . 1164 . 1 1 15 GLU HA H 7.211 10.600 11.011 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 3 . 1165 . 1 1 15 GLU HB2 H 7.033 8.168 10.859 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1166 . 1 1 15 GLU HB3 H 7.736 8.121 9.270 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1167 . 1 1 15 GLU HG2 H 9.700 9.309 11.166 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 3 . 1168 . 1 1 15 GLU HG3 H 9.066 7.821 11.824 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 3 . 1169 . 1 1 15 GLU N N 6.039 10.050 9.314 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . rr_1pbz 1 . 3 . 1170 . 1 1 15 GLU O O 8.679 12.180 9.717 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . rr_1pbz 1 . 3 . 1171 . 1 1 15 GLU OE1 O 9.811 6.510 9.460 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 3 . 1172 . 1 1 15 GLU OE2 O 11.330 7.989 9.886 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 3 . 1173 . 1 1 16 ALA C C 9.119 12.196 5.923 . . . 1.0 . . . . . . . . . . . . A . 15 ALA C . . . . . . . . . rr_1pbz 1 . 3 . 1174 . 1 1 16 ALA CA C 9.787 11.526 7.192 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 3 . 1175 . 1 1 16 ALA CB C 11.016 10.672 6.829 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 3 . 1176 . 1 1 16 ALA H H 8.692 9.682 7.892 . . . 1.0 . . . . . . . . . . . . A . 15 ALA H . . . . . . . . . rr_1pbz 1 . 3 . 1177 . 1 1 16 ALA HA H 10.166 12.381 7.788 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 3 . 1178 . 1 1 16 ALA HB1 H 10.740 9.830 6.171 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 3 . 1179 . 1 1 16 ALA HB2 H 11.512 10.269 7.733 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1180 . 1 1 16 ALA HB3 H 11.768 11.278 6.289 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1181 . 1 1 16 ALA N N 8.927 10.665 8.075 . . . 1.0 . . . . . . . . . . . . A . 15 ALA N . . . . . . . . . rr_1pbz 1 . 3 . 1182 . 1 1 16 ALA O O 9.434 13.346 5.609 . . . 1.0 . . . . . . . . . . . . A . 15 ALA O . . . . . . . . . rr_1pbz 1 . 3 . 1183 . 1 1 17 GLY C C 6.206 12.876 4.617 . . . 1.0 . . . . . . . . . . . . A . 16 GLY C . . . . . . . . . rr_1pbz 1 . 3 . 1184 . 1 1 17 GLY CA C 7.400 12.044 4.092 . . . 1.0 . . . . . . . . . . . . A . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 3 . 1185 . 1 1 17 GLY H H 7.925 10.680 5.690 . . . 1.0 . . . . . . . . . . . . A . 16 GLY H . . . . . . . . . rr_1pbz 1 . 3 . 1186 . 1 1 17 GLY HA2 H 7.934 12.634 3.358 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 3 . 1187 . 1 1 17 GLY HA3 H 6.964 11.182 3.547 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 3 . 1188 . 1 1 17 GLY N N 8.295 11.466 5.146 . . . 1.0 . . . . . . . . . . . . A . 16 GLY N . . . . . . . . . rr_1pbz 1 . 3 . 1189 . 1 1 17 GLY O O 6.380 13.804 5.410 . . . 1.0 . . . . . . . . . . . . A . 16 GLY O . . . . . . . . . rr_1pbz 1 . 3 . 1190 . 1 1 18 CYS C C 2.547 12.125 4.515 . . . 1.0 . . . . . . . . . . . . A . 17 CYS C . . . . . . . . . rr_1pbz 1 . 3 . 1191 . 1 1 18 CYS CA C 3.752 13.041 4.841 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 3 . 1192 . 1 1 18 CYS CB C 3.519 14.491 4.346 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 3 . 1193 . 1 1 18 CYS H H 4.953 11.945 3.347 . . . 1.0 . . . . . . . . . . . . A . 17 CYS H . . . . . . . . . rr_1pbz 1 . 3 . 1194 . 1 1 18 CYS HA H 3.925 12.933 5.953 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 3 . 1195 . 1 1 18 CYS HB2 H 2.609 14.920 4.798 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1196 . 1 1 18 CYS HB3 H 4.364 15.148 4.620 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1197 . 1 1 18 CYS N N 4.976 12.515 4.204 . . . 1.0 . . . . . . . . . . . . A . 17 CYS N . . . . . . . . . rr_1pbz 1 . 3 . 1198 . 1 1 18 CYS O O 1.536 12.455 3.887 . . . 1.0 . . . . . . . . . . . . A . 17 CYS O . . . . . . . . . rr_1pbz 1 . 3 . 1199 . 1 1 18 CYS SG S 3.342 14.457 2.545 . . . 1.0 . . . . . . . . . . . . A . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 3 . 1200 . 1 1 19 NH2 HN1 H 3.538 10.669 5.531 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 3 . 1201 . 1 1 19 NH2 HN2 H 1.946 10.218 4.884 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 3 . 1202 . 1 1 19 NH2 N N 2.687 10.915 5.013 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 3 . 1203 . 2 1 2 CYS C C -6.334 0.706 -5.804 . . . 1.0 . . . . . . . . . . . . B . 1 CYS C . . . . . . . . . rr_1pbz 1 . 3 . 1204 . 2 1 2 CYS CA C -7.398 0.013 -4.853 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 3 . 1205 . 2 1 2 CYS CB C -6.786 -1.170 -4.056 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 3 . 1206 . 2 1 2 CYS H H -8.922 -1.486 -5.687 . . . 1.0 . . . . . . . . . . . . B . 1 CYS H . . . . . . . . . rr_1pbz 1 . 3 . 1207 . 2 1 2 CYS HA H -7.630 0.807 -4.082 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 3 . 1208 . 2 1 2 CYS HB2 H -7.540 -1.708 -3.451 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1209 . 2 1 2 CYS HB3 H -6.291 -1.920 -4.700 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1210 . 2 1 2 CYS N N -8.675 -0.502 -5.487 . . . 1.0 . . . . . . . . . . . . B . 1 CYS N . . . . . . . . . rr_1pbz 1 . 3 . 1211 . 2 1 2 CYS O O -5.367 1.269 -5.290 . . . 1.0 . . . . . . . . . . . . B . 1 CYS O . . . . . . . . . rr_1pbz 1 . 3 . 1212 . 2 1 2 CYS SG S -5.572 -0.536 -2.877 . . . 1.0 . . . . . . . . . . . . B . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 3 . 1213 . 2 1 3 GLY C C -6.113 2.979 -8.319 . . . 1.0 . . . . . . . . . . . . B . 2 GLY C . . . . . . . . . rr_1pbz 1 . 3 . 1214 . 2 1 3 GLY CA C -5.633 1.527 -8.062 . . . 1.0 . . . . . . . . . . . . B . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 3 . 1215 . 2 1 3 GLY H H -7.325 0.221 -7.488 . . . 1.0 . . . . . . . . . . . . B . 2 GLY H . . . . . . . . . rr_1pbz 1 . 3 . 1216 . 2 1 3 GLY HA2 H -4.591 1.576 -7.688 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 3 . 1217 . 2 1 3 GLY HA3 H -5.545 1.027 -9.043 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 3 . 1218 . 2 1 3 GLY N N -6.478 0.694 -7.154 . . . 1.0 . . . . . . . . . . . . B . 2 GLY N . . . . . . . . . rr_1pbz 1 . 3 . 1219 . 2 1 3 GLY O O -5.312 3.905 -8.219 . . . 1.0 . . . . . . . . . . . . B . 2 GLY O . . . . . . . . . rr_1pbz 1 . 3 . 1220 . 2 1 4 ALA C C -8.331 5.340 -7.551 . . . 1.0 . . . . . . . . . . . . B . 3 ALA C . . . . . . . . . rr_1pbz 1 . 3 . 1221 . 2 1 4 ALA CA C -7.964 4.555 -8.853 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 3 . 1222 . 2 1 4 ALA CB C -9.165 4.368 -9.777 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 3 . 1223 . 2 1 4 ALA H H -7.991 2.368 -8.697 . . . 1.0 . . . . . . . . . . . . B . 3 ALA H . . . . . . . . . rr_1pbz 1 . 3 . 1224 . 2 1 4 ALA HA H -7.227 5.194 -9.389 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 3 . 1225 . 2 1 4 ALA HB1 H -9.941 3.740 -9.302 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 3 . 1226 . 2 1 4 ALA HB2 H -8.865 3.901 -10.733 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1227 . 2 1 4 ALA HB3 H -9.618 5.347 -10.010 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1228 . 2 1 4 ALA N N -7.387 3.192 -8.684 . . . 1.0 . . . . . . . . . . . . B . 3 ALA N . . . . . . . . . rr_1pbz 1 . 3 . 1229 . 2 1 4 ALA O O -8.043 6.539 -7.501 . . . 1.0 . . . . . . . . . . . . B . 3 ALA O . . . . . . . . . rr_1pbz 1 . 3 . 1230 . 2 1 5 GLU C C -7.668 5.737 -4.501 . . . 1.0 . . . . . . . . . . . . B . 4 GLU C . . . . . . . . . rr_1pbz 1 . 3 . 1231 . 2 1 5 GLU CA C -9.050 5.377 -5.162 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 3 . 1232 . 2 1 5 GLU CB C -10.027 4.559 -4.282 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 3 . 1233 . 2 1 5 GLU CD C -12.203 5.979 -4.742 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 3 . 1234 . 2 1 5 GLU CG C -11.535 4.612 -4.684 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 3 . 1235 . 2 1 5 GLU H H -9.316 3.785 -6.652 . . . 1.0 . . . . . . . . . . . . B . 4 GLU H . . . . . . . . . rr_1pbz 1 . 3 . 1236 . 2 1 5 GLU HA H -9.504 6.359 -5.321 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 3 . 1237 . 2 1 5 GLU HB2 H -9.687 3.505 -4.251 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1238 . 2 1 5 GLU HB3 H -9.940 4.920 -3.243 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1239 . 2 1 5 GLU HG2 H -11.682 4.136 -5.668 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 3 . 1240 . 2 1 5 GLU HG3 H -12.130 4.010 -3.978 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 3 . 1241 . 2 1 5 GLU N N -8.928 4.724 -6.505 . . . 1.0 . . . . . . . . . . . . B . 4 GLU N . . . . . . . . . rr_1pbz 1 . 3 . 1242 . 2 1 5 GLU O O -7.507 6.816 -3.917 . . . 1.0 . . . . . . . . . . . . B . 4 GLU O . . . . . . . . . rr_1pbz 1 . 3 . 1243 . 2 1 5 GLU OE1 O -12.359 6.644 -3.696 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 3 . 1244 . 2 1 5 GLU OE2 O -12.599 6.418 -5.842 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 3 . 1245 . 2 1 6 ALA C C -4.789 6.471 -5.276 . . . 1.0 . . . . . . . . . . . . B . 5 ALA C . . . . . . . . . rr_1pbz 1 . 3 . 1246 . 2 1 6 ALA CA C -5.229 5.272 -4.392 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 3 . 1247 . 2 1 6 ALA CB C -4.293 4.126 -4.791 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 3 . 1248 . 2 1 6 ALA H H -6.927 4.084 -5.263 . . . 1.0 . . . . . . . . . . . . B . 5 ALA H . . . . . . . . . rr_1pbz 1 . 3 . 1249 . 2 1 6 ALA HA H -5.058 5.568 -3.323 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 3 . 1250 . 2 1 6 ALA HB1 H -4.406 3.255 -4.143 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 3 . 1251 . 2 1 6 ALA HB2 H -3.238 4.450 -4.805 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1252 . 2 1 6 ALA HB3 H -4.490 3.816 -5.838 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1253 . 2 1 6 ALA N N -6.642 4.873 -4.661 . . . 1.0 . . . . . . . . . . . . B . 5 ALA N . . . . . . . . . rr_1pbz 1 . 3 . 1254 . 2 1 6 ALA O O -4.277 7.426 -4.705 . . . 1.0 . . . . . . . . . . . . B . 5 ALA O . . . . . . . . . rr_1pbz 1 . 3 . 1255 . 2 1 7 ALA C C -5.066 8.963 -7.129 . . . 1.0 . . . . . . . . . . . . B . 6 ALA C . . . . . . . . . rr_1pbz 1 . 3 . 1256 . 2 1 7 ALA CA C -4.497 7.527 -7.493 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 3 . 1257 . 2 1 7 ALA CB C -4.930 7.135 -8.898 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 3 . 1258 . 2 1 7 ALA H H -5.458 5.628 -7.020 . . . 1.0 . . . . . . . . . . . . B . 6 ALA H . . . . . . . . . rr_1pbz 1 . 3 . 1259 . 2 1 7 ALA HA H -3.390 7.410 -7.437 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 3 . 1260 . 2 1 7 ALA HB1 H -6.034 7.114 -8.968 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 3 . 1261 . 2 1 7 ALA HB2 H -4.536 6.143 -9.173 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1262 . 2 1 7 ALA HB3 H -4.562 7.883 -9.616 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1263 . 2 1 7 ALA N N -4.964 6.442 -6.616 . . . 1.0 . . . . . . . . . . . . B . 6 ALA N . . . . . . . . . rr_1pbz 1 . 3 . 1264 . 2 1 7 ALA O O -4.320 9.927 -6.966 . . . 1.0 . . . . . . . . . . . . B . 6 ALA O . . . . . . . . . rr_1pbz 1 . 3 . 1265 . 2 1 8 LYS C C -6.652 10.657 -4.973 . . . 1.0 . . . . . . . . . . . . B . 7 LYS C . . . . . . . . . rr_1pbz 1 . 3 . 1266 . 2 1 8 LYS CA C -7.175 10.170 -6.371 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 3 . 1267 . 2 1 8 LYS CB C -8.619 9.571 -6.351 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 3 . 1268 . 2 1 8 LYS CD C -11.014 9.432 -5.621 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 3 . 1269 . 2 1 8 LYS CE C -12.292 10.060 -5.042 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 3 . 1270 . 2 1 8 LYS CG C -9.799 10.382 -5.761 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 3 . 1271 . 2 1 8 LYS H H -6.863 8.134 -7.169 . . . 1.0 . . . . . . . . . . . . B . 7 LYS H . . . . . . . . . rr_1pbz 1 . 3 . 1272 . 2 1 8 LYS HA H -7.107 11.045 -7.058 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 3 . 1273 . 2 1 8 LYS HB2 H -8.903 9.268 -7.380 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1274 . 2 1 8 LYS HB3 H -8.573 8.612 -5.788 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1275 . 2 1 8 LYS HD2 H -11.236 8.967 -6.606 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 3 . 1276 . 2 1 8 LYS HD3 H -10.708 8.573 -4.982 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 3 . 1277 . 2 1 8 LYS HE2 H -12.071 10.564 -4.074 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 3 . 1278 . 2 1 8 LYS HE3 H -12.685 10.849 -5.721 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 3 . 1279 . 2 1 8 LYS HG2 H -9.520 10.795 -4.770 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 3 . 1280 . 2 1 8 LYS HG3 H -10.028 11.254 -6.405 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 3 . 1281 . 2 1 8 LYS HZ1 H -13.330 8.308 -5.676 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 3 . 1282 . 2 1 8 LYS HZ2 H -12.891 8.187 -4.229 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 3 . 1283 . 2 1 8 LYS HZ3 H -14.208 9.146 -4.527 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 3 . 1284 . 2 1 8 LYS N N -6.403 9.031 -6.954 . . . 1.0 . . . . . . . . . . . . B . 7 LYS N . . . . . . . . . rr_1pbz 1 . 3 . 1285 . 2 1 8 LYS NZ N -13.262 8.943 -4.859 . . . 1.0 . . . . . . . . . . . . B . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 3 . 1286 . 2 1 8 LYS O O -6.381 11.848 -4.815 . . . 1.0 . . . . . . . . . . . . B . 7 LYS O . . . . . . . . . rr_1pbz 1 . 3 . 1287 . 2 1 9 ALA C C -4.226 10.587 -2.899 . . . 1.0 . . . . . . . . . . . . B . 8 ALA C . . . . . . . . . rr_1pbz 1 . 3 . 1288 . 2 1 9 ALA CA C -5.716 10.112 -2.728 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 3 . 1289 . 2 1 9 ALA CB C -5.616 8.823 -1.932 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 3 . 1290 . 2 1 9 ALA H H -6.792 8.809 -4.161 . . . 1.0 . . . . . . . . . . . . B . 8 ALA H . . . . . . . . . rr_1pbz 1 . 3 . 1291 . 2 1 9 ALA HA H -6.303 10.819 -2.103 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 3 . 1292 . 2 1 9 ALA HB1 H -6.611 8.399 -1.747 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 3 . 1293 . 2 1 9 ALA HB2 H -4.993 8.085 -2.468 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1294 . 2 1 9 ALA HB3 H -5.129 9.052 -0.971 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1295 . 2 1 9 ALA N N -6.463 9.768 -3.973 . . . 1.0 . . . . . . . . . . . . B . 8 ALA N . . . . . . . . . rr_1pbz 1 . 3 . 1296 . 2 1 9 ALA O O -3.703 11.330 -2.071 . . . 1.0 . . . . . . . . . . . . B . 8 ALA O . . . . . . . . . rr_1pbz 1 . 3 . 1297 . 2 1 10 HIS C C -1.984 11.832 -4.798 . . . 1.0 . . . . . . . . . . . . B . 9 HIS C . . . . . . . . . rr_1pbz 1 . 3 . 1298 . 2 1 10 HIS CA C -2.101 10.370 -4.218 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 3 . 1299 . 2 1 10 HIS CB C -1.595 9.132 -5.013 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 3 . 1300 . 2 1 10 HIS CD2 C -1.623 7.584 -2.870 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 3 . 1301 . 2 1 10 HIS CE1 C -1.087 5.679 -3.791 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 3 . 1302 . 2 1 10 HIS CG C -1.420 7.797 -4.231 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 3 . 1303 . 2 1 10 HIS H H -4.107 9.524 -4.598 . . . 1.0 . . . . . . . . . . . . B . 9 HIS H . . . . . . . . . rr_1pbz 1 . 3 . 1304 . 2 1 10 HIS HA H -1.489 10.380 -3.295 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 3 . 1305 . 2 1 10 HIS HB2 H -2.276 8.952 -5.868 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1306 . 2 1 10 HIS HB3 H -0.634 9.397 -5.477 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1307 . 2 1 10 HIS HD1 H -0.834 6.423 -5.842 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 3 . 1308 . 2 1 10 HIS HD2 H -1.974 8.333 -2.160 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 3 . 1309 . 2 1 10 HIS HE1 H -0.891 4.623 -3.967 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 3 . 1310 . 2 1 10 HIS N N -3.519 10.037 -3.903 . . . 1.0 . . . . . . . . . . . . B . 9 HIS N . . . . . . . . . rr_1pbz 1 . 3 . 1311 . 2 1 10 HIS ND1 N -1.145 6.586 -4.874 . . . 1.0 . . . . . . . . . . . . B . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 3 . 1312 . 2 1 10 HIS NE2 N -1.317 6.297 -2.603 . . . 1.0 . . . . . . . . . . . . B . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 3 . 1313 . 2 1 10 HIS O O -1.200 12.624 -4.268 . . . 1.0 . . . . . . . . . . . . B . 9 HIS O . . . . . . . . . rr_1pbz 1 . 3 . 1314 . 2 1 11 ALA C C -3.549 14.574 -5.093 . . . 1.0 . . . . . . . . . . . . B . 10 ALA C . . . . . . . . . rr_1pbz 1 . 3 . 1315 . 2 1 11 ALA CA C -3.063 13.591 -6.227 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 3 . 1316 . 2 1 11 ALA CB C -4.141 13.403 -7.326 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 3 . 1317 . 2 1 11 ALA H H -3.149 11.441 -6.407 . . . 1.0 . . . . . . . . . . . . B . 10 ALA H . . . . . . . . . rr_1pbz 1 . 3 . 1318 . 2 1 11 ALA HA H -2.148 14.022 -6.664 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 3 . 1319 . 2 1 11 ALA HB1 H -5.069 12.940 -6.926 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 3 . 1320 . 2 1 11 ALA HB2 H -4.452 14.369 -7.762 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1321 . 2 1 11 ALA HB3 H -3.806 12.758 -8.160 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1322 . 2 1 11 ALA N N -2.815 12.192 -5.796 . . . 1.0 . . . . . . . . . . . . B . 10 ALA N . . . . . . . . . rr_1pbz 1 . 3 . 1323 . 2 1 11 ALA O O -2.938 15.631 -4.883 . . . 1.0 . . . . . . . . . . . . B . 10 ALA O . . . . . . . . . rr_1pbz 1 . 3 . 1324 . 2 1 12 LYS C C -3.954 15.288 -2.072 . . . 1.0 . . . . . . . . . . . . B . 11 LYS C . . . . . . . . . rr_1pbz 1 . 3 . 1325 . 2 1 12 LYS CA C -5.058 15.001 -3.142 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 3 . 1326 . 2 1 12 LYS CB C -6.312 14.325 -2.524 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 3 . 1327 . 2 1 12 LYS CD C -7.194 14.774 -0.083 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 3 . 1328 . 2 1 12 LYS CE C -5.878 15.002 0.685 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 3 . 1329 . 2 1 12 LYS CG C -7.146 15.225 -1.563 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 3 . 1330 . 2 1 12 LYS H H -4.782 13.174 -4.422 . . . 1.0 . . . . . . . . . . . . B . 11 LYS H . . . . . . . . . rr_1pbz 1 . 3 . 1331 . 2 1 12 LYS HA H -5.364 15.999 -3.525 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 3 . 1332 . 2 1 12 LYS HB2 H -6.976 14.008 -3.351 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1333 . 2 1 12 LYS HB3 H -6.013 13.376 -2.037 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1334 . 2 1 12 LYS HD2 H -8.010 15.335 0.416 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 3 . 1335 . 2 1 12 LYS HD3 H -7.500 13.709 -0.029 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 3 . 1336 . 2 1 12 LYS HE2 H -5.055 14.435 0.202 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 3 . 1337 . 2 1 12 LYS HE3 H -5.560 16.070 0.619 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 3 . 1338 . 2 1 12 LYS HG2 H -6.820 16.289 -1.629 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 3 . 1339 . 2 1 12 LYS HG3 H -8.185 15.270 -1.946 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 3 . 1340 . 2 1 12 LYS HZ1 H -5.112 14.510 2.615 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 3 . 1341 . 2 1 12 LYS HZ2 H -6.715 14.976 2.683 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 3 . 1342 . 2 1 12 LYS HZ3 H -6.140 13.501 2.169 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 3 . 1343 . 2 1 12 LYS N N -4.597 14.191 -4.323 . . . 1.0 . . . . . . . . . . . . B . 11 LYS N . . . . . . . . . rr_1pbz 1 . 3 . 1344 . 2 1 12 LYS NZ N -6.008 14.541 2.089 . . . 1.0 . . . . . . . . . . . . B . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 3 . 1345 . 2 1 12 LYS O O -3.901 16.375 -1.501 . . . 1.0 . . . . . . . . . . . . B . 11 LYS O . . . . . . . . . rr_1pbz 1 . 3 . 1346 . 2 1 13 ALA C C -0.890 15.494 -1.678 . . . 1.0 . . . . . . . . . . . . B . 12 ALA C . . . . . . . . . rr_1pbz 1 . 3 . 1347 . 2 1 13 ALA CA C -1.861 14.471 -1.003 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 3 . 1348 . 2 1 13 ALA CB C -1.241 13.082 -0.805 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 3 . 1349 . 2 1 13 ALA H H -3.415 13.400 -2.170 . . . 1.0 . . . . . . . . . . . . B . 12 ALA H . . . . . . . . . rr_1pbz 1 . 3 . 1350 . 2 1 13 ALA HA H -2.152 14.868 -0.016 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 3 . 1351 . 2 1 13 ALA HB1 H -0.372 13.146 -0.129 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 3 . 1352 . 2 1 13 ALA HB2 H -0.897 12.637 -1.754 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1353 . 2 1 13 ALA HB3 H -1.961 12.383 -0.366 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1354 . 2 1 13 ALA N N -3.104 14.290 -1.779 . . . 1.0 . . . . . . . . . . . . B . 12 ALA N . . . . . . . . . rr_1pbz 1 . 3 . 1355 . 2 1 13 ALA O O -0.773 16.605 -1.202 . . . 1.0 . . . . . . . . . . . . B . 12 ALA O . . . . . . . . . rr_1pbz 1 . 3 . 1356 . 2 1 14 ALA C C -0.054 17.700 -3.759 . . . 1.0 . . . . . . . . . . . . B . 13 ALA C . . . . . . . . . rr_1pbz 1 . 3 . 1357 . 2 1 14 ALA CA C 0.468 16.199 -3.670 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 3 . 1358 . 2 1 14 ALA CB C 0.560 15.479 -5.023 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 3 . 1359 . 2 1 14 ALA H H -0.426 14.222 -3.023 . . . 1.0 . . . . . . . . . . . . B . 13 ALA H . . . . . . . . . rr_1pbz 1 . 3 . 1360 . 2 1 14 ALA HA H 1.492 16.292 -3.269 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 3 . 1361 . 2 1 14 ALA HB1 H 1.162 16.061 -5.739 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 3 . 1362 . 2 1 14 ALA HB2 H 1.032 14.481 -4.929 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1363 . 2 1 14 ALA HB3 H -0.442 15.330 -5.465 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1364 . 2 1 14 ALA N N -0.270 15.202 -2.816 . . . 1.0 . . . . . . . . . . . . B . 13 ALA N . . . . . . . . . rr_1pbz 1 . 3 . 1365 . 2 1 14 ALA O O 0.727 18.639 -3.923 . . . 1.0 . . . . . . . . . . . . B . 13 ALA O . . . . . . . . . rr_1pbz 1 . 3 . 1366 . 2 1 15 GLU C C -2.084 19.434 -1.805 . . . 1.0 . . . . . . . . . . . . B . 14 GLU C . . . . . . . . . rr_1pbz 1 . 3 . 1367 . 2 1 15 GLU CA C -2.080 19.146 -3.372 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 3 . 1368 . 2 1 15 GLU CB C -3.462 18.986 -4.094 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 3 . 1369 . 2 1 15 GLU CD C -5.892 19.486 -3.253 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 3 . 1370 . 2 1 15 GLU CG C -4.577 20.040 -3.801 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 3 . 1371 . 2 1 15 GLU H H -1.796 16.952 -3.398 . . . 1.0 . . . . . . . . . . . . B . 14 GLU H . . . . . . . . . rr_1pbz 1 . 3 . 1372 . 2 1 15 GLU HA H -1.539 19.986 -3.850 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 3 . 1373 . 2 1 15 GLU HB2 H -3.288 18.951 -5.186 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1374 . 2 1 15 GLU HB3 H -3.877 17.980 -3.873 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1375 . 2 1 15 GLU HG2 H -4.243 20.807 -3.083 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 3 . 1376 . 2 1 15 GLU HG3 H -4.822 20.601 -4.719 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 3 . 1377 . 2 1 15 GLU N N -1.377 17.861 -3.631 . . . 1.0 . . . . . . . . . . . . B . 14 GLU N . . . . . . . . . rr_1pbz 1 . 3 . 1378 . 2 1 15 GLU O O -1.136 20.029 -1.290 . . . 1.0 . . . . . . . . . . . . B . 14 GLU O . . . . . . . . . rr_1pbz 1 . 3 . 1379 . 2 1 15 GLU OE1 O -5.869 18.709 -2.270 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 3 . 1380 . 2 1 15 GLU OE2 O -6.956 19.815 -3.810 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 3 . 1381 . 2 1 16 ALA C C -2.357 18.696 1.412 . . . 1.0 . . . . . . . . . . . . B . 15 ALA C . . . . . . . . . rr_1pbz 1 . 3 . 1382 . 2 1 16 ALA CA C -3.439 19.286 0.414 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 3 . 1383 . 2 1 16 ALA CB C -3.562 20.801 0.434 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 3 . 1384 . 2 1 16 ALA H H -3.863 18.583 -1.635 . . . 1.0 . . . . . . . . . . . . B . 15 ALA H . . . . . . . . . rr_1pbz 1 . 3 . 1385 . 2 1 16 ALA HA H -4.411 18.852 0.735 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 3 . 1386 . 2 1 16 ALA HB1 H -2.584 21.263 0.210 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 3 . 1387 . 2 1 16 ALA HB2 H -3.890 21.110 1.431 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1388 . 2 1 16 ALA HB3 H -4.301 21.121 -0.325 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1389 . 2 1 16 ALA N N -3.137 19.016 -1.050 . . . 1.0 . . . . . . . . . . . . B . 15 ALA N . . . . . . . . . rr_1pbz 1 . 3 . 1390 . 2 1 16 ALA O O -2.035 19.250 2.467 . . . 1.0 . . . . . . . . . . . . B . 15 ALA O . . . . . . . . . rr_1pbz 1 . 3 . 1391 . 2 1 17 GLY C C 0.606 17.223 1.193 . . . 1.0 . . . . . . . . . . . . B . 16 GLY C . . . . . . . . . rr_1pbz 1 . 3 . 1392 . 2 1 17 GLY CA C -0.776 16.774 1.723 . . . 1.0 . . . . . . . . . . . . B . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 3 . 1393 . 2 1 17 GLY H H -2.024 17.566 0.072 . . . 1.0 . . . . . . . . . . . . B . 16 GLY H . . . . . . . . . rr_1pbz 1 . 3 . 1394 . 2 1 17 GLY HA2 H -0.797 16.793 2.809 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 3 . 1395 . 2 1 17 GLY HA3 H -0.901 15.705 1.442 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 3 . 1396 . 2 1 17 GLY N N -1.936 17.480 1.100 . . . 1.0 . . . . . . . . . . . . B . 16 GLY N . . . . . . . . . rr_1pbz 1 . 3 . 1397 . 2 1 17 GLY O O 0.959 18.403 1.236 . . . 1.0 . . . . . . . . . . . . B . 16 GLY O . . . . . . . . . rr_1pbz 1 . 3 . 1398 . 2 1 18 CYS C C 3.078 15.342 -1.041 . . . 1.0 . . . . . . . . . . . . B . 17 CYS C . . . . . . . . . rr_1pbz 1 . 3 . 1399 . 2 1 18 CYS CA C 2.588 16.527 -0.132 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 3 . 1400 . 2 1 18 CYS CB C 3.734 17.047 0.779 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 3 . 1401 . 2 1 18 CYS H H 1.057 15.302 0.851 . . . 1.0 . . . . . . . . . . . . B . 17 CYS H . . . . . . . . . rr_1pbz 1 . 3 . 1402 . 2 1 18 CYS HA H 2.229 17.289 -0.880 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 3 . 1403 . 2 1 18 CYS HB2 H 4.457 17.602 0.161 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 3 . 1404 . 2 1 18 CYS HB3 H 3.363 17.762 1.536 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 3 . 1405 . 2 1 18 CYS N N 1.388 16.250 0.692 . . . 1.0 . . . . . . . . . . . . B . 17 CYS N . . . . . . . . . rr_1pbz 1 . 3 . 1406 . 2 1 18 CYS O O 3.564 15.555 -2.148 . . . 1.0 . . . . . . . . . . . . B . 17 CYS O . . . . . . . . . rr_1pbz 1 . 3 . 1407 . 2 1 18 CYS SG S 4.614 15.700 1.616 . . . 1.0 . . . . . . . . . . . . B . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 3 . 1408 . 2 1 19 NH2 HN1 H 2.844 13.897 0.323 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 3 . 1409 . 2 1 19 NH2 HN2 H 3.512 13.447 -1.312 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 3 . 1410 . 2 1 19 NH2 N N 3.023 14.074 -0.669 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 3 . 1411 . 3 2 1 PC3 C C 3.054 6.800 -0.618 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C . . . . . . . . . rr_1pbz 1 . 3 . 1412 . 3 2 1 PC3 C1 C 3.214 5.426 -1.053 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C1 . . . . . . . . . rr_1pbz 1 . 3 . 1413 . 3 2 1 PC3 C10 C -0.114 10.728 1.464 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C10 . . . . . . . . . rr_1pbz 1 . 3 . 1414 . 3 2 1 PC3 C11 C -6.720 6.140 0.430 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C11 . . . . . . . . . rr_1pbz 1 . 3 . 1415 . 3 2 1 PC3 C12 C 1.107 0.824 -3.187 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C12 . . . . . . . . . rr_1pbz 1 . 3 . 1416 . 3 2 1 PC3 C14 C 4.111 7.913 -0.753 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C14 . . . . . . . . . rr_1pbz 1 . 3 . 1417 . 3 2 1 PC3 C15 C 4.971 8.206 0.503 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C15 . . . . . . . . . rr_1pbz 1 . 3 . 1418 . 3 2 1 PC3 C16 C -3.389 10.369 1.395 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C16 . . . . . . . . . rr_1pbz 1 . 3 . 1419 . 3 2 1 PC3 C17 C -3.804 10.621 2.854 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C17 . . . . . . . . . rr_1pbz 1 . 3 . 1420 . 3 2 1 PC3 C18 C -6.318 3.069 -0.783 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C18 . . . . . . . . . rr_1pbz 1 . 3 . 1421 . 3 2 1 PC3 C19 C -6.501 2.432 0.618 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C19 . . . . . . . . . rr_1pbz 1 . 3 . 1422 . 3 2 1 PC3 C2 C 0.100 1.664 -2.350 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2 . . . . . . . . . rr_1pbz 1 . 3 . 1423 . 3 2 1 PC3 C21 C 4.741 9.570 1.156 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C21 . . . . . . . . . rr_1pbz 1 . 3 . 1424 . 3 2 1 PC3 C22 C 1.687 2.707 -5.006 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C22 . . . . . . . . . rr_1pbz 1 . 3 . 1425 . 3 2 1 PC3 C23 C -5.214 2.430 1.433 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C23 . . . . . . . . . rr_1pbz 1 . 3 . 1426 . 3 2 1 PC3 C24 C -4.625 11.903 2.921 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C24 . . . . . . . . . rr_1pbz 1 . 3 . 1427 . 3 2 1 PC3 C2A C 1.890 4.886 -1.063 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2A . . . . . . . . . rr_1pbz 1 . 3 . 1428 . 3 2 1 PC3 C2C C 1.640 6.905 -0.364 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2C . . . . . . . . . rr_1pbz 1 . 3 . 1429 . 3 2 1 PC3 C3 C -1.333 1.430 -2.259 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C3 . . . . . . . . . rr_1pbz 1 . 3 . 1430 . 3 2 1 PC3 C4 C -5.300 4.191 -0.689 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4 . . . . . . . . . rr_1pbz 1 . 3 . 1431 . 3 2 1 PC3 C4A C -1.860 2.625 -1.680 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4A . . . . . . . . . rr_1pbz 1 . 3 . 1432 . 3 2 1 PC3 C4C C 0.281 2.930 -1.711 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4C . . . . . . . . . rr_1pbz 1 . 3 . 1433 . 3 2 1 PC3 C5 C -5.456 5.487 -0.080 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C5 . . . . . . . . . rr_1pbz 1 . 3 . 1434 . 3 2 1 PC3 C6 C -2.341 9.287 1.131 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6 . . . . . . . . . rr_1pbz 1 . 3 . 1435 . 3 2 1 PC3 C6A C -4.145 5.996 0.026 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6A . . . . . . . . . rr_1pbz 1 . 3 . 1436 . 3 2 1 PC3 C6C C -3.905 4.055 -0.881 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6C . . . . . . . . . rr_1pbz 1 . 3 . 1437 . 3 2 1 PC3 C7 C -0.913 9.504 1.020 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C7 . . . . . . . . . rr_1pbz 1 . 3 . 1438 . 3 2 1 PC3 C8 C -2.112 0.307 -2.944 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8 . . . . . . . . . rr_1pbz 1 . 3 . 1439 . 3 2 1 PC3 C8A C -0.408 8.301 0.463 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8A . . . . . . . . . rr_1pbz 1 . 3 . 1440 . 3 2 1 PC3 C8C C -2.538 7.958 0.657 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8C . . . . . . . . . rr_1pbz 1 . 3 . 1441 . 3 2 1 PC3 C9 C 4.499 4.757 -1.546 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C9 . . . . . . . . . rr_1pbz 1 . 3 . 1442 . 3 2 1 PC3 CA C 1.569 3.540 -1.465 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CA . . . . . . . . . rr_1pbz 1 . 3 . 1443 . 3 2 1 PC3 CB C -3.274 2.891 -1.464 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CB . . . . . . . . . rr_1pbz 1 . 3 . 1444 . 3 2 1 PC3 CC C -3.824 7.289 0.580 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CC . . . . . . . . . rr_1pbz 1 . 3 . 1445 . 3 2 1 PC3 CD C 0.986 8.085 0.138 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CD . . . . . . . . . rr_1pbz 1 . 3 . 1446 . 3 2 1 PC3 CO3 Co -1.158 5.414 -0.503 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CO3 . . . . . . . . . rr_1pbz 1 . 3 . 1447 . 3 2 1 PC3 CX5 C 2.142 1.531 -4.128 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CX5 . . . . . . . . . rr_1pbz 1 . 3 . 1448 . 3 2 1 PC3 H101 H 0.482 11.163 0.640 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H101 . . . . . . . . . rr_1pbz 1 . 3 . 1449 . 3 2 1 PC3 H102 H 0.616 10.476 2.257 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H102 . . . . . . . . . rr_1pbz 1 . 3 . 1450 . 3 2 1 PC3 H103 H -0.748 11.535 1.879 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H103 . . . . . . . . . rr_1pbz 1 . 3 . 1451 . 3 2 1 PC3 H111 H -7.492 6.202 -0.361 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H111 . . . . . . . . . rr_1pbz 1 . 3 . 1452 . 3 2 1 PC3 H112 H -6.544 7.164 0.808 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H112 . . . . . . . . . rr_1pbz 1 . 3 . 1453 . 3 2 1 PC3 H113 H -7.154 5.553 1.261 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H113 . . . . . . . . . rr_1pbz 1 . 3 . 1454 . 3 2 1 PC3 H121 H 1.647 0.138 -2.507 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H121 . . . . . . . . . rr_1pbz 1 . 3 . 1455 . 3 2 1 PC3 H122 H 0.527 0.138 -3.834 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H122 . . . . . . . . . rr_1pbz 1 . 3 . 1456 . 3 2 1 PC3 H141 H 4.796 7.674 -1.588 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H141 . . . . . . . . . rr_1pbz 1 . 3 . 1457 . 3 2 1 PC3 H142 H 3.633 8.849 -1.105 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H142 . . . . . . . . . rr_1pbz 1 . 3 . 1458 . 3 2 1 PC3 H151 H 4.845 7.433 1.278 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H151 . . . . . . . . . rr_1pbz 1 . 3 . 1459 . 3 2 1 PC3 H152 H 6.043 8.161 0.237 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H152 . . . . . . . . . rr_1pbz 1 . 3 . 1460 . 3 2 1 PC3 H161 H -4.297 10.206 0.785 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H161 . . . . . . . . . rr_1pbz 1 . 3 . 1461 . 3 2 1 PC3 H162 H -2.998 11.322 1.008 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H162 . . . . . . . . . rr_1pbz 1 . 3 . 1462 . 3 2 1 PC3 H171 H -2.927 10.738 3.517 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H171 . . . . . . . . . rr_1pbz 1 . 3 . 1463 . 3 2 1 PC3 H172 H -4.407 9.791 3.263 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H172 . . . . . . . . . rr_1pbz 1 . 3 . 1464 . 3 2 1 PC3 H181 H -7.283 3.434 -1.183 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H181 . . . . . . . . . rr_1pbz 1 . 3 . 1465 . 3 2 1 PC3 H182 H -5.955 2.304 -1.495 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H182 . . . . . . . . . rr_1pbz 1 . 3 . 1466 . 3 2 1 PC3 H191 H -6.875 1.396 0.542 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H191 . . . . . . . . . rr_1pbz 1 . 3 . 1467 . 3 2 1 PC3 H192 H -7.264 2.986 1.193 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H192 . . . . . . . . . rr_1pbz 1 . 3 . 1468 . 3 2 1 PC3 H221 H 2.572 0.773 -4.809 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H221 . . . . . . . . . rr_1pbz 1 . 3 . 1469 . 3 2 1 PC3 H222 H 3.016 1.879 -3.556 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H222 . . . . . . . . . rr_1pbz 1 . 3 . 1470 . 3 2 1 PC3 H81 H -2.319 0.548 -4.004 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H81 . . . . . . . . . rr_1pbz 1 . 3 . 1471 . 3 2 1 PC3 H82 H -1.546 -0.643 -2.936 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H82 . . . . . . . . . rr_1pbz 1 . 3 . 1472 . 3 2 1 PC3 H83 H -3.080 0.112 -2.453 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H83 . . . . . . . . . rr_1pbz 1 . 3 . 1473 . 3 2 1 PC3 H91 H 5.361 5.451 -1.565 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H91 . . . . . . . . . rr_1pbz 1 . 3 . 1474 . 3 2 1 PC3 H92 H 4.387 4.370 -2.578 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H92 . . . . . . . . . rr_1pbz 1 . 3 . 1475 . 3 2 1 PC3 H93 H 4.797 3.907 -0.905 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H93 . . . . . . . . . rr_1pbz 1 . 3 . 1476 . 3 2 1 PC3 HA H 2.423 2.938 -1.745 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HA . . . . . . . . . rr_1pbz 1 . 3 . 1477 . 3 2 1 PC3 HB H -3.954 2.106 -1.776 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HB . . . . . . . . . rr_1pbz 1 . 3 . 1478 . 3 2 1 PC3 HC H -4.671 7.860 0.947 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HC . . . . . . . . . rr_1pbz 1 . 3 . 1479 . 3 2 1 PC3 HD H 1.646 8.925 0.325 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HD . . . . . . . . . rr_1pbz 1 . 3 . 1480 . 3 2 1 PC3 N2B N 0.909 5.760 -0.654 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N2B . . . . . . . . . rr_1pbz 1 . 3 . 1481 . 3 2 1 PC3 N4B N -0.898 3.550 -1.339 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N4B . . . . . . . . . rr_1pbz 1 . 3 . 1482 . 3 2 1 PC3 N6B N -3.178 5.141 -0.451 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N6B . . . . . . . . . rr_1pbz 1 . 3 . 1483 . 3 2 1 PC3 N8B N -1.376 7.330 0.256 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N8B . . . . . . . . . rr_1pbz 1 . 3 . 1484 . 3 2 1 PC3 O1 O 5.703 10.173 1.660 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O1 . . . . . . . . . rr_1pbz 1 . 3 . 1485 . 3 2 1 PC3 O2 O 3.566 9.993 1.242 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O2 . . . . . . . . . rr_1pbz 1 . 3 . 1486 . 3 2 1 PC3 O22 O 1.636 2.582 -6.239 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O22 . . . . . . . . . rr_1pbz 1 . 3 . 1487 . 3 2 1 PC3 O23 O -4.185 1.946 0.897 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O23 . . . . . . . . . rr_1pbz 1 . 3 . 1488 . 3 2 1 PC3 O3 O 1.323 3.761 -4.425 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O3 . . . . . . . . . rr_1pbz 1 . 3 . 1489 . 3 2 1 PC3 O4 O -5.112 3.139 2.453 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O4 . . . . . . . . . rr_1pbz 1 . 3 . 1490 . 3 2 1 PC3 O5 O -5.816 11.870 2.547 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O5 . . . . . . . . . rr_1pbz 1 . 3 . 1491 . 3 2 1 PC3 O6 O -4.063 12.972 3.225 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O6 . . . . . . . . . rr_1pbz 1 . 4 . 1492 . 1 1 2 CYS C C -3.220 -2.350 0.860 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . rr_1pbz 1 . 4 . 1493 . 1 1 2 CYS CA C -2.799 -2.524 -0.647 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 4 . 1494 . 1 1 2 CYS CB C -3.985 -2.935 -1.556 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 4 . 1495 . 1 1 2 CYS H H -1.802 -4.539 -1.064 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H . . . . . . . . . rr_1pbz 1 . 4 . 1496 . 1 1 2 CYS HA H -2.527 -1.468 -0.940 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 4 . 1497 . 1 1 2 CYS HB2 H -3.698 -2.918 -2.626 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1498 . 1 1 2 CYS HB3 H -4.336 -3.960 -1.338 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1499 . 1 1 2 CYS N N -1.695 -3.513 -0.943 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . rr_1pbz 1 . 4 . 1500 . 1 1 2 CYS O O -3.864 -1.342 1.148 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . rr_1pbz 1 . 4 . 1501 . 1 1 2 CYS SG S -5.377 -1.797 -1.328 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 4 . 1502 . 1 1 3 GLY C C -2.178 -2.712 4.230 . . . 1.0 . . . . . . . . . . . . A . 2 GLY C . . . . . . . . . rr_1pbz 1 . 4 . 1503 . 1 1 3 GLY CA C -3.309 -3.074 3.245 . . . 1.0 . . . . . . . . . . . . A . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 4 . 1504 . 1 1 3 GLY H H -2.231 -3.970 1.537 . . . 1.0 . . . . . . . . . . . . A . 2 GLY H . . . . . . . . . rr_1pbz 1 . 4 . 1505 . 1 1 3 GLY HA2 H -4.094 -2.294 3.347 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 4 . 1506 . 1 1 3 GLY HA3 H -3.820 -3.992 3.586 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 4 . 1507 . 1 1 3 GLY N N -2.888 -3.240 1.823 . . . 1.0 . . . . . . . . . . . . A . 2 GLY N . . . . . . . . . rr_1pbz 1 . 4 . 1508 . 1 1 3 GLY O O -2.080 -1.557 4.636 . . . 1.0 . . . . . . . . . . . . A . 2 GLY O . . . . . . . . . rr_1pbz 1 . 4 . 1509 . 1 1 4 ALA C C 1.058 -2.903 5.242 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . rr_1pbz 1 . 4 . 1510 . 1 1 4 ALA CA C -0.326 -3.434 5.718 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 4 . 1511 . 1 1 4 ALA CB C -0.217 -4.737 6.493 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 4 . 1512 . 1 1 4 ALA H H -1.404 -4.600 4.230 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . rr_1pbz 1 . 4 . 1513 . 1 1 4 ALA HA H -0.705 -2.666 6.428 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 4 . 1514 . 1 1 4 ALA HB1 H 0.487 -4.601 7.332 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 4 . 1515 . 1 1 4 ALA HB2 H 0.166 -5.548 5.848 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1516 . 1 1 4 ALA HB3 H -1.197 -5.027 6.910 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1517 . 1 1 4 ALA N N -1.355 -3.681 4.672 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . rr_1pbz 1 . 4 . 1518 . 1 1 4 ALA O O 1.619 -2.061 5.940 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . rr_1pbz 1 . 4 . 1519 . 1 1 5 GLU C C 2.457 -1.207 2.974 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . rr_1pbz 1 . 4 . 1520 . 1 1 5 GLU CA C 2.801 -2.658 3.495 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 4 . 1521 . 1 1 5 GLU CB C 3.443 -3.573 2.457 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 4 . 1522 . 1 1 5 GLU CD C 5.403 -4.434 3.990 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 4 . 1523 . 1 1 5 GLU CG C 4.276 -4.774 3.011 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 4 . 1524 . 1 1 5 GLU H H 1.315 -4.257 3.747 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . rr_1pbz 1 . 4 . 1525 . 1 1 5 GLU HA H 3.593 -2.551 4.238 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 4 . 1526 . 1 1 5 GLU HB2 H 2.640 -3.898 1.775 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1527 . 1 1 5 GLU HB3 H 4.122 -2.917 1.890 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1528 . 1 1 5 GLU HG2 H 3.623 -5.501 3.521 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 4 . 1529 . 1 1 5 GLU HG3 H 4.744 -5.327 2.180 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 4 . 1530 . 1 1 5 GLU N N 1.630 -3.355 4.110 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . rr_1pbz 1 . 4 . 1531 . 1 1 5 GLU O O 3.252 -0.274 3.114 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . rr_1pbz 1 . 4 . 1532 . 1 1 5 GLU OE1 O 6.515 -4.094 3.541 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 4 . 1533 . 1 1 5 GLU OE2 O 5.174 -4.496 5.217 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 4 . 1534 . 1 1 6 ALA C C 0.565 1.187 3.488 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . rr_1pbz 1 . 4 . 1535 . 1 1 6 ALA CA C 0.670 0.350 2.171 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 4 . 1536 . 1 1 6 ALA CB C -0.739 0.129 1.603 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 4 . 1537 . 1 1 6 ALA H H 0.703 -1.887 2.427 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . rr_1pbz 1 . 4 . 1538 . 1 1 6 ALA HA H 1.278 0.961 1.445 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 4 . 1539 . 1 1 6 ALA HB1 H -0.719 -0.413 0.648 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 4 . 1540 . 1 1 6 ALA HB2 H -1.369 -0.456 2.304 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1541 . 1 1 6 ALA HB3 H -1.278 1.077 1.447 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1542 . 1 1 6 ALA N N 1.245 -1.008 2.412 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . rr_1pbz 1 . 4 . 1543 . 1 1 6 ALA O O 1.082 2.300 3.489 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . rr_1pbz 1 . 4 . 1544 . 1 1 7 ALA C C 1.460 1.602 6.500 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_1pbz 1 . 4 . 1545 . 1 1 7 ALA CA C 0.020 1.343 5.922 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 4 . 1546 . 1 1 7 ALA CB C -0.672 0.357 6.849 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 4 . 1547 . 1 1 7 ALA H H -0.420 -0.277 4.495 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_1pbz 1 . 4 . 1548 . 1 1 7 ALA HA H -0.592 2.289 5.920 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 4 . 1549 . 1 1 7 ALA HB1 H -0.705 0.766 7.870 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 4 . 1550 . 1 1 7 ALA HB2 H -0.096 -0.585 6.897 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1551 . 1 1 7 ALA HB3 H -1.693 0.130 6.507 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1552 . 1 1 7 ALA N N -0.052 0.691 4.583 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_1pbz 1 . 4 . 1553 . 1 1 7 ALA O O 1.689 2.669 7.067 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_1pbz 1 . 4 . 1554 . 1 1 8 LYS C C 4.499 2.041 5.836 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1pbz 1 . 4 . 1555 . 1 1 8 LYS CA C 3.859 0.873 6.658 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 4 . 1556 . 1 1 8 LYS CB C 4.562 -0.498 6.455 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 4 . 1557 . 1 1 8 LYS CD C 6.554 -0.167 8.082 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 4 . 1558 . 1 1 8 LYS CE C 8.077 -0.222 8.293 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 4 . 1559 . 1 1 8 LYS CG C 6.091 -0.561 6.658 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 4 . 1560 . 1 1 8 LYS H H 2.083 -0.262 5.984 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1pbz 1 . 4 . 1561 . 1 1 8 LYS HA H 3.944 1.173 7.725 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 4 . 1562 . 1 1 8 LYS HB2 H 4.076 -1.267 7.088 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1563 . 1 1 8 LYS HB3 H 4.365 -0.845 5.422 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1564 . 1 1 8 LYS HD2 H 6.219 0.872 8.285 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 4 . 1565 . 1 1 8 LYS HD3 H 6.018 -0.777 8.839 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 4 . 1566 . 1 1 8 LYS HE2 H 8.590 0.406 7.527 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 4 . 1567 . 1 1 8 LYS HE3 H 8.335 0.254 9.268 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 4 . 1568 . 1 1 8 LYS HG2 H 6.406 -1.594 6.401 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 4 . 1569 . 1 1 8 LYS HG3 H 6.584 0.078 5.897 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 4 . 1570 . 1 1 8 LYS HZ1 H 8.280 -2.098 7.346 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 4 . 1571 . 1 1 8 LYS HZ2 H 9.536 -1.796 8.365 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 4 . 1572 . 1 1 8 LYS HZ3 H 8.054 -2.240 8.941 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 4 . 1573 . 1 1 8 LYS N N 2.413 0.646 6.367 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1pbz 1 . 4 . 1574 . 1 1 8 LYS NZ N 8.526 -1.649 8.243 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 4 . 1575 . 1 1 8 LYS O O 5.232 2.849 6.407 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1pbz 1 . 4 . 1576 . 1 1 9 ALA C C 3.785 4.638 4.167 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_1pbz 1 . 4 . 1577 . 1 1 9 ALA CA C 4.535 3.335 3.713 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 4 . 1578 . 1 1 9 ALA CB C 4.126 2.998 2.294 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 4 . 1579 . 1 1 9 ALA H H 3.802 1.287 4.124 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_1pbz 1 . 4 . 1580 . 1 1 9 ALA HA H 5.626 3.502 3.650 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 4 . 1581 . 1 1 9 ALA HB1 H 4.381 3.850 1.642 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 4 . 1582 . 1 1 9 ALA HB2 H 4.658 2.096 1.950 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1583 . 1 1 9 ALA HB3 H 3.041 2.823 2.235 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1584 . 1 1 9 ALA N N 4.236 2.132 4.523 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_1pbz 1 . 4 . 1585 . 1 1 9 ALA O O 4.392 5.701 4.182 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_1pbz 1 . 4 . 1586 . 1 1 10 HIS C C 2.315 6.201 6.539 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_1pbz 1 . 4 . 1587 . 1 1 10 HIS CA C 1.718 5.679 5.166 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 4 . 1588 . 1 1 10 HIS CB C 0.240 5.189 5.117 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 4 . 1589 . 1 1 10 HIS CD2 C -0.148 5.321 2.498 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 4 . 1590 . 1 1 10 HIS CE1 C -1.736 3.827 2.289 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 4 . 1591 . 1 1 10 HIS CG C -0.450 4.841 3.764 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 4 . 1592 . 1 1 10 HIS H H 2.055 3.618 4.407 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_1pbz 1 . 4 . 1593 . 1 1 10 HIS HA H 1.783 6.596 4.560 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 4 . 1594 . 1 1 10 HIS HB2 H 0.195 4.295 5.764 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1595 . 1 1 10 HIS HB3 H -0.377 5.937 5.629 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1596 . 1 1 10 HIS HD1 H -1.891 3.299 4.411 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 4 . 1597 . 1 1 10 HIS HD2 H 0.618 6.025 2.206 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 4 . 1598 . 1 1 10 HIS HE1 H -2.466 3.135 1.881 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 4 . 1599 . 1 1 10 HIS N N 2.484 4.564 4.520 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_1pbz 1 . 4 . 1600 . 1 1 10 HIS ND1 N -1.428 3.837 3.667 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 4 . 1601 . 1 1 10 HIS NE2 N -1.001 4.751 1.627 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 4 . 1602 . 1 1 10 HIS O O 2.515 7.412 6.674 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_1pbz 1 . 4 . 1603 . 1 1 11 ALA C C 4.926 6.226 8.343 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_1pbz 1 . 4 . 1604 . 1 1 11 ALA CA C 3.485 5.700 8.685 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 4 . 1605 . 1 1 11 ALA CB C 3.538 4.387 9.496 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 4 . 1606 . 1 1 11 ALA H H 1.903 4.664 7.768 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_1pbz 1 . 4 . 1607 . 1 1 11 ALA HA H 2.987 6.488 9.278 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 4 . 1608 . 1 1 11 ALA HB1 H 4.146 4.507 10.411 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 4 . 1609 . 1 1 11 ALA HB2 H 4.006 3.566 8.914 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1610 . 1 1 11 ALA HB3 H 2.538 4.034 9.806 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1611 . 1 1 11 ALA N N 2.640 5.335 7.520 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_1pbz 1 . 4 . 1612 . 1 1 11 ALA O O 5.305 7.302 8.814 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_1pbz 1 . 4 . 1613 . 1 1 12 LYS C C 6.934 7.470 6.327 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_1pbz 1 . 4 . 1614 . 1 1 12 LYS CA C 6.994 6.026 6.936 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 4 . 1615 . 1 1 12 LYS CB C 7.554 4.948 5.960 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 4 . 1616 . 1 1 12 LYS CD C 10.106 5.430 6.238 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 4 . 1617 . 1 1 12 LYS CE C 10.725 6.838 6.123 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 4 . 1618 . 1 1 12 LYS CG C 8.917 5.219 5.268 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 4 . 1619 . 1 1 12 LYS H H 5.084 4.853 6.949 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_1pbz 1 . 4 . 1620 . 1 1 12 LYS HA H 7.694 6.102 7.791 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 4 . 1621 . 1 1 12 LYS HB2 H 7.615 3.984 6.499 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1622 . 1 1 12 LYS HB3 H 6.803 4.783 5.166 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1623 . 1 1 12 LYS HD2 H 9.774 5.236 7.281 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 4 . 1624 . 1 1 12 LYS HD3 H 10.882 4.662 6.058 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 4 . 1625 . 1 1 12 LYS HE2 H 11.283 6.959 5.169 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 4 . 1626 . 1 1 12 LYS HE3 H 9.937 7.617 6.084 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 4 . 1627 . 1 1 12 LYS HG2 H 9.147 4.373 4.591 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 4 . 1628 . 1 1 12 LYS HG3 H 8.799 6.079 4.574 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 4 . 1629 . 1 1 12 LYS HZ1 H 11.947 8.024 7.448 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 4 . 1630 . 1 1 12 LYS HZ2 H 11.038 6.994 8.208 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 4 . 1631 . 1 1 12 LYS HZ3 H 12.360 6.417 7.476 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 4 . 1632 . 1 1 12 LYS N N 5.688 5.509 7.481 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_1pbz 1 . 4 . 1633 . 1 1 12 LYS NZ N 11.590 7.069 7.312 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 4 . 1634 . 1 1 12 LYS O O 7.801 8.306 6.582 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_1pbz 1 . 4 . 1635 . 1 1 13 ALA C C 5.266 10.082 6.303 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . rr_1pbz 1 . 4 . 1636 . 1 1 13 ALA CA C 5.499 9.091 5.108 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 4 . 1637 . 1 1 13 ALA CB C 4.281 8.854 4.201 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 4 . 1638 . 1 1 13 ALA H H 5.359 6.911 5.272 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . rr_1pbz 1 . 4 . 1639 . 1 1 13 ALA HA H 6.315 9.478 4.481 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 4 . 1640 . 1 1 13 ALA HB1 H 3.390 8.483 4.723 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 4 . 1641 . 1 1 13 ALA HB2 H 3.998 9.792 3.698 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1642 . 1 1 13 ALA HB3 H 4.509 8.139 3.393 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1643 . 1 1 13 ALA N N 5.882 7.743 5.556 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . rr_1pbz 1 . 4 . 1644 . 1 1 13 ALA O O 6.145 10.849 6.649 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . rr_1pbz 1 . 4 . 1645 . 1 1 14 ALA C C 5.052 10.946 9.367 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_1pbz 1 . 4 . 1646 . 1 1 14 ALA CA C 3.889 10.753 8.298 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 4 . 1647 . 1 1 14 ALA CB C 2.686 9.977 8.860 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 4 . 1648 . 1 1 14 ALA H H 3.565 9.317 6.569 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_1pbz 1 . 4 . 1649 . 1 1 14 ALA HA H 3.558 11.781 8.057 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 4 . 1650 . 1 1 14 ALA HB1 H 2.320 10.431 9.794 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 4 . 1651 . 1 1 14 ALA HB2 H 2.963 8.928 9.083 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1652 . 1 1 14 ALA HB3 H 1.837 9.947 8.149 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1653 . 1 1 14 ALA N N 4.138 10.035 6.998 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_1pbz 1 . 4 . 1654 . 1 1 14 ALA O O 5.021 11.863 10.190 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_1pbz 1 . 4 . 1655 . 1 1 15 GLU C C 8.384 11.081 9.241 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . rr_1pbz 1 . 4 . 1656 . 1 1 15 GLU CA C 7.359 10.147 10.012 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 4 . 1657 . 1 1 15 GLU CB C 7.802 8.663 10.233 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 4 . 1658 . 1 1 15 GLU CD C 10.173 7.556 10.039 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 4 . 1659 . 1 1 15 GLU CG C 9.193 8.370 10.877 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 4 . 1660 . 1 1 15 GLU H H 5.857 9.487 8.465 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . rr_1pbz 1 . 4 . 1661 . 1 1 15 GLU HA H 7.211 10.600 11.011 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 4 . 1662 . 1 1 15 GLU HB2 H 7.033 8.168 10.859 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1663 . 1 1 15 GLU HB3 H 7.736 8.121 9.270 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1664 . 1 1 15 GLU HG2 H 9.700 9.309 11.166 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 4 . 1665 . 1 1 15 GLU HG3 H 9.066 7.821 11.824 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 4 . 1666 . 1 1 15 GLU N N 6.039 10.050 9.314 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . rr_1pbz 1 . 4 . 1667 . 1 1 15 GLU O O 8.679 12.180 9.717 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . rr_1pbz 1 . 4 . 1668 . 1 1 15 GLU OE1 O 9.811 6.510 9.460 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 4 . 1669 . 1 1 15 GLU OE2 O 11.330 7.989 9.886 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 4 . 1670 . 1 1 16 ALA C C 9.119 12.196 5.923 . . . 1.0 . . . . . . . . . . . . A . 15 ALA C . . . . . . . . . rr_1pbz 1 . 4 . 1671 . 1 1 16 ALA CA C 9.787 11.526 7.192 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 4 . 1672 . 1 1 16 ALA CB C 11.016 10.672 6.829 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 4 . 1673 . 1 1 16 ALA H H 8.692 9.682 7.892 . . . 1.0 . . . . . . . . . . . . A . 15 ALA H . . . . . . . . . rr_1pbz 1 . 4 . 1674 . 1 1 16 ALA HA H 10.166 12.381 7.788 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 4 . 1675 . 1 1 16 ALA HB1 H 10.740 9.830 6.171 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 4 . 1676 . 1 1 16 ALA HB2 H 11.512 10.269 7.733 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1677 . 1 1 16 ALA HB3 H 11.768 11.278 6.289 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1678 . 1 1 16 ALA N N 8.927 10.665 8.075 . . . 1.0 . . . . . . . . . . . . A . 15 ALA N . . . . . . . . . rr_1pbz 1 . 4 . 1679 . 1 1 16 ALA O O 9.434 13.346 5.609 . . . 1.0 . . . . . . . . . . . . A . 15 ALA O . . . . . . . . . rr_1pbz 1 . 4 . 1680 . 1 1 17 GLY C C 6.206 12.876 4.617 . . . 1.0 . . . . . . . . . . . . A . 16 GLY C . . . . . . . . . rr_1pbz 1 . 4 . 1681 . 1 1 17 GLY CA C 7.400 12.044 4.092 . . . 1.0 . . . . . . . . . . . . A . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 4 . 1682 . 1 1 17 GLY H H 7.925 10.680 5.690 . . . 1.0 . . . . . . . . . . . . A . 16 GLY H . . . . . . . . . rr_1pbz 1 . 4 . 1683 . 1 1 17 GLY HA2 H 7.934 12.634 3.358 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 4 . 1684 . 1 1 17 GLY HA3 H 6.964 11.182 3.547 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 4 . 1685 . 1 1 17 GLY N N 8.295 11.466 5.146 . . . 1.0 . . . . . . . . . . . . A . 16 GLY N . . . . . . . . . rr_1pbz 1 . 4 . 1686 . 1 1 17 GLY O O 6.380 13.804 5.410 . . . 1.0 . . . . . . . . . . . . A . 16 GLY O . . . . . . . . . rr_1pbz 1 . 4 . 1687 . 1 1 18 CYS C C 2.547 12.125 4.515 . . . 1.0 . . . . . . . . . . . . A . 17 CYS C . . . . . . . . . rr_1pbz 1 . 4 . 1688 . 1 1 18 CYS CA C 3.752 13.041 4.841 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 4 . 1689 . 1 1 18 CYS CB C 3.519 14.491 4.346 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 4 . 1690 . 1 1 18 CYS H H 4.953 11.945 3.347 . . . 1.0 . . . . . . . . . . . . A . 17 CYS H . . . . . . . . . rr_1pbz 1 . 4 . 1691 . 1 1 18 CYS HA H 3.925 12.933 5.953 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 4 . 1692 . 1 1 18 CYS HB2 H 2.609 14.920 4.798 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1693 . 1 1 18 CYS HB3 H 4.364 15.148 4.620 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1694 . 1 1 18 CYS N N 4.976 12.515 4.204 . . . 1.0 . . . . . . . . . . . . A . 17 CYS N . . . . . . . . . rr_1pbz 1 . 4 . 1695 . 1 1 18 CYS O O 1.536 12.455 3.887 . . . 1.0 . . . . . . . . . . . . A . 17 CYS O . . . . . . . . . rr_1pbz 1 . 4 . 1696 . 1 1 18 CYS SG S 3.342 14.457 2.545 . . . 1.0 . . . . . . . . . . . . A . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 4 . 1697 . 1 1 19 NH2 HN1 H 3.538 10.669 5.531 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 4 . 1698 . 1 1 19 NH2 HN2 H 1.946 10.218 4.884 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 4 . 1699 . 1 1 19 NH2 N N 2.687 10.915 5.013 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 4 . 1700 . 2 1 2 CYS C C -6.334 0.706 -5.804 . . . 1.0 . . . . . . . . . . . . B . 1 CYS C . . . . . . . . . rr_1pbz 1 . 4 . 1701 . 2 1 2 CYS CA C -7.398 0.013 -4.853 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 4 . 1702 . 2 1 2 CYS CB C -6.786 -1.170 -4.056 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 4 . 1703 . 2 1 2 CYS H H -8.922 -1.486 -5.687 . . . 1.0 . . . . . . . . . . . . B . 1 CYS H . . . . . . . . . rr_1pbz 1 . 4 . 1704 . 2 1 2 CYS HA H -7.630 0.807 -4.082 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 4 . 1705 . 2 1 2 CYS HB2 H -7.540 -1.708 -3.451 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1706 . 2 1 2 CYS HB3 H -6.291 -1.920 -4.700 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1707 . 2 1 2 CYS N N -8.675 -0.502 -5.487 . . . 1.0 . . . . . . . . . . . . B . 1 CYS N . . . . . . . . . rr_1pbz 1 . 4 . 1708 . 2 1 2 CYS O O -5.367 1.269 -5.290 . . . 1.0 . . . . . . . . . . . . B . 1 CYS O . . . . . . . . . rr_1pbz 1 . 4 . 1709 . 2 1 2 CYS SG S -5.572 -0.536 -2.877 . . . 1.0 . . . . . . . . . . . . B . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 4 . 1710 . 2 1 3 GLY C C -6.113 2.979 -8.319 . . . 1.0 . . . . . . . . . . . . B . 2 GLY C . . . . . . . . . rr_1pbz 1 . 4 . 1711 . 2 1 3 GLY CA C -5.633 1.527 -8.062 . . . 1.0 . . . . . . . . . . . . B . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 4 . 1712 . 2 1 3 GLY H H -7.325 0.221 -7.488 . . . 1.0 . . . . . . . . . . . . B . 2 GLY H . . . . . . . . . rr_1pbz 1 . 4 . 1713 . 2 1 3 GLY HA2 H -4.591 1.576 -7.688 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 4 . 1714 . 2 1 3 GLY HA3 H -5.545 1.027 -9.043 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 4 . 1715 . 2 1 3 GLY N N -6.478 0.694 -7.154 . . . 1.0 . . . . . . . . . . . . B . 2 GLY N . . . . . . . . . rr_1pbz 1 . 4 . 1716 . 2 1 3 GLY O O -5.312 3.905 -8.219 . . . 1.0 . . . . . . . . . . . . B . 2 GLY O . . . . . . . . . rr_1pbz 1 . 4 . 1717 . 2 1 4 ALA C C -8.331 5.340 -7.551 . . . 1.0 . . . . . . . . . . . . B . 3 ALA C . . . . . . . . . rr_1pbz 1 . 4 . 1718 . 2 1 4 ALA CA C -7.964 4.555 -8.853 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 4 . 1719 . 2 1 4 ALA CB C -9.165 4.368 -9.777 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 4 . 1720 . 2 1 4 ALA H H -7.991 2.368 -8.697 . . . 1.0 . . . . . . . . . . . . B . 3 ALA H . . . . . . . . . rr_1pbz 1 . 4 . 1721 . 2 1 4 ALA HA H -7.227 5.194 -9.389 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 4 . 1722 . 2 1 4 ALA HB1 H -9.941 3.740 -9.302 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 4 . 1723 . 2 1 4 ALA HB2 H -8.865 3.901 -10.733 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1724 . 2 1 4 ALA HB3 H -9.618 5.347 -10.010 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1725 . 2 1 4 ALA N N -7.387 3.192 -8.684 . . . 1.0 . . . . . . . . . . . . B . 3 ALA N . . . . . . . . . rr_1pbz 1 . 4 . 1726 . 2 1 4 ALA O O -8.043 6.539 -7.501 . . . 1.0 . . . . . . . . . . . . B . 3 ALA O . . . . . . . . . rr_1pbz 1 . 4 . 1727 . 2 1 5 GLU C C -7.668 5.737 -4.501 . . . 1.0 . . . . . . . . . . . . B . 4 GLU C . . . . . . . . . rr_1pbz 1 . 4 . 1728 . 2 1 5 GLU CA C -9.050 5.377 -5.162 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 4 . 1729 . 2 1 5 GLU CB C -10.027 4.559 -4.282 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 4 . 1730 . 2 1 5 GLU CD C -12.203 5.979 -4.742 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 4 . 1731 . 2 1 5 GLU CG C -11.535 4.612 -4.684 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 4 . 1732 . 2 1 5 GLU H H -9.316 3.785 -6.652 . . . 1.0 . . . . . . . . . . . . B . 4 GLU H . . . . . . . . . rr_1pbz 1 . 4 . 1733 . 2 1 5 GLU HA H -9.504 6.359 -5.321 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 4 . 1734 . 2 1 5 GLU HB2 H -9.687 3.505 -4.251 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1735 . 2 1 5 GLU HB3 H -9.940 4.920 -3.243 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1736 . 2 1 5 GLU HG2 H -11.682 4.136 -5.668 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 4 . 1737 . 2 1 5 GLU HG3 H -12.130 4.010 -3.978 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 4 . 1738 . 2 1 5 GLU N N -8.928 4.724 -6.505 . . . 1.0 . . . . . . . . . . . . B . 4 GLU N . . . . . . . . . rr_1pbz 1 . 4 . 1739 . 2 1 5 GLU O O -7.507 6.816 -3.917 . . . 1.0 . . . . . . . . . . . . B . 4 GLU O . . . . . . . . . rr_1pbz 1 . 4 . 1740 . 2 1 5 GLU OE1 O -12.359 6.644 -3.696 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 4 . 1741 . 2 1 5 GLU OE2 O -12.599 6.418 -5.842 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 4 . 1742 . 2 1 6 ALA C C -4.789 6.471 -5.276 . . . 1.0 . . . . . . . . . . . . B . 5 ALA C . . . . . . . . . rr_1pbz 1 . 4 . 1743 . 2 1 6 ALA CA C -5.229 5.272 -4.392 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 4 . 1744 . 2 1 6 ALA CB C -4.293 4.126 -4.791 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 4 . 1745 . 2 1 6 ALA H H -6.927 4.084 -5.263 . . . 1.0 . . . . . . . . . . . . B . 5 ALA H . . . . . . . . . rr_1pbz 1 . 4 . 1746 . 2 1 6 ALA HA H -5.058 5.568 -3.323 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 4 . 1747 . 2 1 6 ALA HB1 H -4.406 3.255 -4.143 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 4 . 1748 . 2 1 6 ALA HB2 H -3.238 4.450 -4.805 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1749 . 2 1 6 ALA HB3 H -4.490 3.816 -5.838 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1750 . 2 1 6 ALA N N -6.642 4.873 -4.661 . . . 1.0 . . . . . . . . . . . . B . 5 ALA N . . . . . . . . . rr_1pbz 1 . 4 . 1751 . 2 1 6 ALA O O -4.277 7.426 -4.705 . . . 1.0 . . . . . . . . . . . . B . 5 ALA O . . . . . . . . . rr_1pbz 1 . 4 . 1752 . 2 1 7 ALA C C -5.066 8.963 -7.129 . . . 1.0 . . . . . . . . . . . . B . 6 ALA C . . . . . . . . . rr_1pbz 1 . 4 . 1753 . 2 1 7 ALA CA C -4.497 7.527 -7.493 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 4 . 1754 . 2 1 7 ALA CB C -4.930 7.135 -8.898 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 4 . 1755 . 2 1 7 ALA H H -5.458 5.628 -7.020 . . . 1.0 . . . . . . . . . . . . B . 6 ALA H . . . . . . . . . rr_1pbz 1 . 4 . 1756 . 2 1 7 ALA HA H -3.390 7.410 -7.437 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 4 . 1757 . 2 1 7 ALA HB1 H -6.034 7.114 -8.968 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 4 . 1758 . 2 1 7 ALA HB2 H -4.536 6.143 -9.173 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1759 . 2 1 7 ALA HB3 H -4.562 7.883 -9.616 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1760 . 2 1 7 ALA N N -4.964 6.442 -6.616 . . . 1.0 . . . . . . . . . . . . B . 6 ALA N . . . . . . . . . rr_1pbz 1 . 4 . 1761 . 2 1 7 ALA O O -4.320 9.927 -6.966 . . . 1.0 . . . . . . . . . . . . B . 6 ALA O . . . . . . . . . rr_1pbz 1 . 4 . 1762 . 2 1 8 LYS C C -6.652 10.657 -4.973 . . . 1.0 . . . . . . . . . . . . B . 7 LYS C . . . . . . . . . rr_1pbz 1 . 4 . 1763 . 2 1 8 LYS CA C -7.175 10.170 -6.371 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 4 . 1764 . 2 1 8 LYS CB C -8.619 9.571 -6.351 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 4 . 1765 . 2 1 8 LYS CD C -11.014 9.432 -5.621 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 4 . 1766 . 2 1 8 LYS CE C -12.292 10.060 -5.042 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 4 . 1767 . 2 1 8 LYS CG C -9.799 10.382 -5.761 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 4 . 1768 . 2 1 8 LYS H H -6.863 8.134 -7.169 . . . 1.0 . . . . . . . . . . . . B . 7 LYS H . . . . . . . . . rr_1pbz 1 . 4 . 1769 . 2 1 8 LYS HA H -7.107 11.045 -7.058 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 4 . 1770 . 2 1 8 LYS HB2 H -8.903 9.268 -7.380 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1771 . 2 1 8 LYS HB3 H -8.573 8.612 -5.788 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1772 . 2 1 8 LYS HD2 H -11.236 8.967 -6.606 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 4 . 1773 . 2 1 8 LYS HD3 H -10.708 8.573 -4.982 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 4 . 1774 . 2 1 8 LYS HE2 H -12.071 10.564 -4.074 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 4 . 1775 . 2 1 8 LYS HE3 H -12.685 10.849 -5.721 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 4 . 1776 . 2 1 8 LYS HG2 H -9.520 10.795 -4.770 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 4 . 1777 . 2 1 8 LYS HG3 H -10.028 11.254 -6.405 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 4 . 1778 . 2 1 8 LYS HZ1 H -13.330 8.308 -5.676 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 4 . 1779 . 2 1 8 LYS HZ2 H -12.891 8.187 -4.229 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 4 . 1780 . 2 1 8 LYS HZ3 H -14.208 9.146 -4.527 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 4 . 1781 . 2 1 8 LYS N N -6.403 9.031 -6.954 . . . 1.0 . . . . . . . . . . . . B . 7 LYS N . . . . . . . . . rr_1pbz 1 . 4 . 1782 . 2 1 8 LYS NZ N -13.262 8.943 -4.859 . . . 1.0 . . . . . . . . . . . . B . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 4 . 1783 . 2 1 8 LYS O O -6.381 11.848 -4.815 . . . 1.0 . . . . . . . . . . . . B . 7 LYS O . . . . . . . . . rr_1pbz 1 . 4 . 1784 . 2 1 9 ALA C C -4.226 10.587 -2.899 . . . 1.0 . . . . . . . . . . . . B . 8 ALA C . . . . . . . . . rr_1pbz 1 . 4 . 1785 . 2 1 9 ALA CA C -5.716 10.112 -2.728 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 4 . 1786 . 2 1 9 ALA CB C -5.616 8.823 -1.932 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 4 . 1787 . 2 1 9 ALA H H -6.792 8.809 -4.161 . . . 1.0 . . . . . . . . . . . . B . 8 ALA H . . . . . . . . . rr_1pbz 1 . 4 . 1788 . 2 1 9 ALA HA H -6.303 10.819 -2.103 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 4 . 1789 . 2 1 9 ALA HB1 H -6.611 8.399 -1.747 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 4 . 1790 . 2 1 9 ALA HB2 H -4.993 8.085 -2.468 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1791 . 2 1 9 ALA HB3 H -5.129 9.052 -0.971 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1792 . 2 1 9 ALA N N -6.463 9.768 -3.973 . . . 1.0 . . . . . . . . . . . . B . 8 ALA N . . . . . . . . . rr_1pbz 1 . 4 . 1793 . 2 1 9 ALA O O -3.703 11.330 -2.071 . . . 1.0 . . . . . . . . . . . . B . 8 ALA O . . . . . . . . . rr_1pbz 1 . 4 . 1794 . 2 1 10 HIS C C -1.984 11.832 -4.798 . . . 1.0 . . . . . . . . . . . . B . 9 HIS C . . . . . . . . . rr_1pbz 1 . 4 . 1795 . 2 1 10 HIS CA C -2.101 10.370 -4.218 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 4 . 1796 . 2 1 10 HIS CB C -1.595 9.132 -5.013 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 4 . 1797 . 2 1 10 HIS CD2 C -1.623 7.584 -2.870 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 4 . 1798 . 2 1 10 HIS CE1 C -1.087 5.679 -3.791 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 4 . 1799 . 2 1 10 HIS CG C -1.420 7.797 -4.231 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 4 . 1800 . 2 1 10 HIS H H -4.107 9.524 -4.598 . . . 1.0 . . . . . . . . . . . . B . 9 HIS H . . . . . . . . . rr_1pbz 1 . 4 . 1801 . 2 1 10 HIS HA H -1.489 10.380 -3.295 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 4 . 1802 . 2 1 10 HIS HB2 H -2.276 8.952 -5.868 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1803 . 2 1 10 HIS HB3 H -0.634 9.397 -5.477 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1804 . 2 1 10 HIS HD1 H -0.834 6.423 -5.842 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 4 . 1805 . 2 1 10 HIS HD2 H -1.974 8.333 -2.160 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 4 . 1806 . 2 1 10 HIS HE1 H -0.891 4.623 -3.967 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 4 . 1807 . 2 1 10 HIS N N -3.519 10.037 -3.903 . . . 1.0 . . . . . . . . . . . . B . 9 HIS N . . . . . . . . . rr_1pbz 1 . 4 . 1808 . 2 1 10 HIS ND1 N -1.145 6.586 -4.874 . . . 1.0 . . . . . . . . . . . . B . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 4 . 1809 . 2 1 10 HIS NE2 N -1.317 6.297 -2.603 . . . 1.0 . . . . . . . . . . . . B . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 4 . 1810 . 2 1 10 HIS O O -1.200 12.624 -4.268 . . . 1.0 . . . . . . . . . . . . B . 9 HIS O . . . . . . . . . rr_1pbz 1 . 4 . 1811 . 2 1 11 ALA C C -3.549 14.574 -5.093 . . . 1.0 . . . . . . . . . . . . B . 10 ALA C . . . . . . . . . rr_1pbz 1 . 4 . 1812 . 2 1 11 ALA CA C -3.063 13.591 -6.227 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 4 . 1813 . 2 1 11 ALA CB C -4.141 13.403 -7.326 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 4 . 1814 . 2 1 11 ALA H H -3.149 11.441 -6.407 . . . 1.0 . . . . . . . . . . . . B . 10 ALA H . . . . . . . . . rr_1pbz 1 . 4 . 1815 . 2 1 11 ALA HA H -2.148 14.022 -6.664 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 4 . 1816 . 2 1 11 ALA HB1 H -5.069 12.940 -6.926 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 4 . 1817 . 2 1 11 ALA HB2 H -4.452 14.369 -7.762 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1818 . 2 1 11 ALA HB3 H -3.806 12.758 -8.160 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1819 . 2 1 11 ALA N N -2.815 12.192 -5.796 . . . 1.0 . . . . . . . . . . . . B . 10 ALA N . . . . . . . . . rr_1pbz 1 . 4 . 1820 . 2 1 11 ALA O O -2.938 15.631 -4.883 . . . 1.0 . . . . . . . . . . . . B . 10 ALA O . . . . . . . . . rr_1pbz 1 . 4 . 1821 . 2 1 12 LYS C C -3.954 15.288 -2.072 . . . 1.0 . . . . . . . . . . . . B . 11 LYS C . . . . . . . . . rr_1pbz 1 . 4 . 1822 . 2 1 12 LYS CA C -5.058 15.001 -3.142 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 4 . 1823 . 2 1 12 LYS CB C -6.312 14.325 -2.524 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 4 . 1824 . 2 1 12 LYS CD C -7.194 14.774 -0.083 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 4 . 1825 . 2 1 12 LYS CE C -5.878 15.002 0.685 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 4 . 1826 . 2 1 12 LYS CG C -7.146 15.225 -1.563 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 4 . 1827 . 2 1 12 LYS H H -4.782 13.174 -4.422 . . . 1.0 . . . . . . . . . . . . B . 11 LYS H . . . . . . . . . rr_1pbz 1 . 4 . 1828 . 2 1 12 LYS HA H -5.364 15.999 -3.525 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 4 . 1829 . 2 1 12 LYS HB2 H -6.976 14.008 -3.351 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1830 . 2 1 12 LYS HB3 H -6.013 13.376 -2.037 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1831 . 2 1 12 LYS HD2 H -8.010 15.335 0.416 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 4 . 1832 . 2 1 12 LYS HD3 H -7.500 13.709 -0.029 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 4 . 1833 . 2 1 12 LYS HE2 H -5.055 14.435 0.202 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 4 . 1834 . 2 1 12 LYS HE3 H -5.560 16.070 0.619 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 4 . 1835 . 2 1 12 LYS HG2 H -6.820 16.289 -1.629 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 4 . 1836 . 2 1 12 LYS HG3 H -8.185 15.270 -1.946 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 4 . 1837 . 2 1 12 LYS HZ1 H -5.112 14.510 2.615 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 4 . 1838 . 2 1 12 LYS HZ2 H -6.715 14.976 2.683 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 4 . 1839 . 2 1 12 LYS HZ3 H -6.140 13.501 2.169 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 4 . 1840 . 2 1 12 LYS N N -4.597 14.191 -4.323 . . . 1.0 . . . . . . . . . . . . B . 11 LYS N . . . . . . . . . rr_1pbz 1 . 4 . 1841 . 2 1 12 LYS NZ N -6.008 14.541 2.089 . . . 1.0 . . . . . . . . . . . . B . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 4 . 1842 . 2 1 12 LYS O O -3.901 16.375 -1.501 . . . 1.0 . . . . . . . . . . . . B . 11 LYS O . . . . . . . . . rr_1pbz 1 . 4 . 1843 . 2 1 13 ALA C C -0.890 15.494 -1.678 . . . 1.0 . . . . . . . . . . . . B . 12 ALA C . . . . . . . . . rr_1pbz 1 . 4 . 1844 . 2 1 13 ALA CA C -1.861 14.471 -1.003 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 4 . 1845 . 2 1 13 ALA CB C -1.241 13.082 -0.805 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 4 . 1846 . 2 1 13 ALA H H -3.415 13.400 -2.170 . . . 1.0 . . . . . . . . . . . . B . 12 ALA H . . . . . . . . . rr_1pbz 1 . 4 . 1847 . 2 1 13 ALA HA H -2.152 14.868 -0.016 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 4 . 1848 . 2 1 13 ALA HB1 H -0.372 13.146 -0.129 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 4 . 1849 . 2 1 13 ALA HB2 H -0.897 12.637 -1.754 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1850 . 2 1 13 ALA HB3 H -1.961 12.383 -0.366 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1851 . 2 1 13 ALA N N -3.104 14.290 -1.779 . . . 1.0 . . . . . . . . . . . . B . 12 ALA N . . . . . . . . . rr_1pbz 1 . 4 . 1852 . 2 1 13 ALA O O -0.773 16.605 -1.202 . . . 1.0 . . . . . . . . . . . . B . 12 ALA O . . . . . . . . . rr_1pbz 1 . 4 . 1853 . 2 1 14 ALA C C -0.054 17.700 -3.759 . . . 1.0 . . . . . . . . . . . . B . 13 ALA C . . . . . . . . . rr_1pbz 1 . 4 . 1854 . 2 1 14 ALA CA C 0.468 16.199 -3.670 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 4 . 1855 . 2 1 14 ALA CB C 0.560 15.479 -5.023 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 4 . 1856 . 2 1 14 ALA H H -0.426 14.222 -3.023 . . . 1.0 . . . . . . . . . . . . B . 13 ALA H . . . . . . . . . rr_1pbz 1 . 4 . 1857 . 2 1 14 ALA HA H 1.492 16.292 -3.269 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 4 . 1858 . 2 1 14 ALA HB1 H 1.162 16.061 -5.739 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 4 . 1859 . 2 1 14 ALA HB2 H 1.032 14.481 -4.929 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1860 . 2 1 14 ALA HB3 H -0.442 15.330 -5.465 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1861 . 2 1 14 ALA N N -0.270 15.202 -2.816 . . . 1.0 . . . . . . . . . . . . B . 13 ALA N . . . . . . . . . rr_1pbz 1 . 4 . 1862 . 2 1 14 ALA O O 0.727 18.639 -3.923 . . . 1.0 . . . . . . . . . . . . B . 13 ALA O . . . . . . . . . rr_1pbz 1 . 4 . 1863 . 2 1 15 GLU C C -2.084 19.434 -1.805 . . . 1.0 . . . . . . . . . . . . B . 14 GLU C . . . . . . . . . rr_1pbz 1 . 4 . 1864 . 2 1 15 GLU CA C -2.080 19.146 -3.372 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 4 . 1865 . 2 1 15 GLU CB C -3.462 18.986 -4.094 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 4 . 1866 . 2 1 15 GLU CD C -5.892 19.486 -3.253 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 4 . 1867 . 2 1 15 GLU CG C -4.577 20.040 -3.801 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 4 . 1868 . 2 1 15 GLU H H -1.796 16.952 -3.398 . . . 1.0 . . . . . . . . . . . . B . 14 GLU H . . . . . . . . . rr_1pbz 1 . 4 . 1869 . 2 1 15 GLU HA H -1.539 19.986 -3.850 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 4 . 1870 . 2 1 15 GLU HB2 H -3.288 18.951 -5.186 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1871 . 2 1 15 GLU HB3 H -3.877 17.980 -3.873 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1872 . 2 1 15 GLU HG2 H -4.243 20.807 -3.083 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 4 . 1873 . 2 1 15 GLU HG3 H -4.822 20.601 -4.719 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 4 . 1874 . 2 1 15 GLU N N -1.377 17.861 -3.631 . . . 1.0 . . . . . . . . . . . . B . 14 GLU N . . . . . . . . . rr_1pbz 1 . 4 . 1875 . 2 1 15 GLU O O -1.136 20.029 -1.290 . . . 1.0 . . . . . . . . . . . . B . 14 GLU O . . . . . . . . . rr_1pbz 1 . 4 . 1876 . 2 1 15 GLU OE1 O -5.869 18.709 -2.270 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 4 . 1877 . 2 1 15 GLU OE2 O -6.956 19.815 -3.810 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 4 . 1878 . 2 1 16 ALA C C -2.357 18.696 1.412 . . . 1.0 . . . . . . . . . . . . B . 15 ALA C . . . . . . . . . rr_1pbz 1 . 4 . 1879 . 2 1 16 ALA CA C -3.439 19.286 0.414 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 4 . 1880 . 2 1 16 ALA CB C -3.562 20.801 0.434 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 4 . 1881 . 2 1 16 ALA H H -3.863 18.583 -1.635 . . . 1.0 . . . . . . . . . . . . B . 15 ALA H . . . . . . . . . rr_1pbz 1 . 4 . 1882 . 2 1 16 ALA HA H -4.411 18.852 0.735 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 4 . 1883 . 2 1 16 ALA HB1 H -2.584 21.263 0.210 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 4 . 1884 . 2 1 16 ALA HB2 H -3.890 21.110 1.431 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1885 . 2 1 16 ALA HB3 H -4.301 21.121 -0.325 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1886 . 2 1 16 ALA N N -3.137 19.016 -1.050 . . . 1.0 . . . . . . . . . . . . B . 15 ALA N . . . . . . . . . rr_1pbz 1 . 4 . 1887 . 2 1 16 ALA O O -2.035 19.250 2.467 . . . 1.0 . . . . . . . . . . . . B . 15 ALA O . . . . . . . . . rr_1pbz 1 . 4 . 1888 . 2 1 17 GLY C C 0.606 17.223 1.193 . . . 1.0 . . . . . . . . . . . . B . 16 GLY C . . . . . . . . . rr_1pbz 1 . 4 . 1889 . 2 1 17 GLY CA C -0.776 16.774 1.723 . . . 1.0 . . . . . . . . . . . . B . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 4 . 1890 . 2 1 17 GLY H H -2.024 17.566 0.072 . . . 1.0 . . . . . . . . . . . . B . 16 GLY H . . . . . . . . . rr_1pbz 1 . 4 . 1891 . 2 1 17 GLY HA2 H -0.797 16.793 2.809 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 4 . 1892 . 2 1 17 GLY HA3 H -0.901 15.705 1.442 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 4 . 1893 . 2 1 17 GLY N N -1.936 17.480 1.100 . . . 1.0 . . . . . . . . . . . . B . 16 GLY N . . . . . . . . . rr_1pbz 1 . 4 . 1894 . 2 1 17 GLY O O 0.959 18.403 1.236 . . . 1.0 . . . . . . . . . . . . B . 16 GLY O . . . . . . . . . rr_1pbz 1 . 4 . 1895 . 2 1 18 CYS C C 3.078 15.342 -1.041 . . . 1.0 . . . . . . . . . . . . B . 17 CYS C . . . . . . . . . rr_1pbz 1 . 4 . 1896 . 2 1 18 CYS CA C 2.588 16.527 -0.132 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 4 . 1897 . 2 1 18 CYS CB C 3.734 17.047 0.779 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 4 . 1898 . 2 1 18 CYS H H 1.057 15.302 0.851 . . . 1.0 . . . . . . . . . . . . B . 17 CYS H . . . . . . . . . rr_1pbz 1 . 4 . 1899 . 2 1 18 CYS HA H 2.229 17.289 -0.880 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 4 . 1900 . 2 1 18 CYS HB2 H 4.457 17.602 0.161 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 4 . 1901 . 2 1 18 CYS HB3 H 3.363 17.762 1.536 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 4 . 1902 . 2 1 18 CYS N N 1.388 16.250 0.692 . . . 1.0 . . . . . . . . . . . . B . 17 CYS N . . . . . . . . . rr_1pbz 1 . 4 . 1903 . 2 1 18 CYS O O 3.564 15.555 -2.148 . . . 1.0 . . . . . . . . . . . . B . 17 CYS O . . . . . . . . . rr_1pbz 1 . 4 . 1904 . 2 1 18 CYS SG S 4.614 15.700 1.616 . . . 1.0 . . . . . . . . . . . . B . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 4 . 1905 . 2 1 19 NH2 HN1 H 2.844 13.897 0.323 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 4 . 1906 . 2 1 19 NH2 HN2 H 3.512 13.447 -1.312 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 4 . 1907 . 2 1 19 NH2 N N 3.023 14.074 -0.669 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 4 . 1908 . 3 2 1 PC3 C C 3.054 6.800 -0.618 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C . . . . . . . . . rr_1pbz 1 . 4 . 1909 . 3 2 1 PC3 C1 C 3.214 5.426 -1.053 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C1 . . . . . . . . . rr_1pbz 1 . 4 . 1910 . 3 2 1 PC3 C10 C -0.114 10.728 1.464 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C10 . . . . . . . . . rr_1pbz 1 . 4 . 1911 . 3 2 1 PC3 C11 C -6.720 6.140 0.430 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C11 . . . . . . . . . rr_1pbz 1 . 4 . 1912 . 3 2 1 PC3 C12 C 1.107 0.824 -3.187 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C12 . . . . . . . . . rr_1pbz 1 . 4 . 1913 . 3 2 1 PC3 C14 C 4.111 7.913 -0.753 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C14 . . . . . . . . . rr_1pbz 1 . 4 . 1914 . 3 2 1 PC3 C15 C 4.971 8.206 0.503 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C15 . . . . . . . . . rr_1pbz 1 . 4 . 1915 . 3 2 1 PC3 C16 C -3.389 10.369 1.395 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C16 . . . . . . . . . rr_1pbz 1 . 4 . 1916 . 3 2 1 PC3 C17 C -3.804 10.621 2.854 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C17 . . . . . . . . . rr_1pbz 1 . 4 . 1917 . 3 2 1 PC3 C18 C -6.318 3.069 -0.783 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C18 . . . . . . . . . rr_1pbz 1 . 4 . 1918 . 3 2 1 PC3 C19 C -6.501 2.432 0.618 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C19 . . . . . . . . . rr_1pbz 1 . 4 . 1919 . 3 2 1 PC3 C2 C 0.100 1.664 -2.350 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2 . . . . . . . . . rr_1pbz 1 . 4 . 1920 . 3 2 1 PC3 C21 C 4.741 9.570 1.156 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C21 . . . . . . . . . rr_1pbz 1 . 4 . 1921 . 3 2 1 PC3 C22 C 1.687 2.707 -5.006 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C22 . . . . . . . . . rr_1pbz 1 . 4 . 1922 . 3 2 1 PC3 C23 C -5.214 2.430 1.433 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C23 . . . . . . . . . rr_1pbz 1 . 4 . 1923 . 3 2 1 PC3 C24 C -4.625 11.903 2.921 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C24 . . . . . . . . . rr_1pbz 1 . 4 . 1924 . 3 2 1 PC3 C2A C 1.890 4.886 -1.063 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2A . . . . . . . . . rr_1pbz 1 . 4 . 1925 . 3 2 1 PC3 C2C C 1.640 6.905 -0.364 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2C . . . . . . . . . rr_1pbz 1 . 4 . 1926 . 3 2 1 PC3 C3 C -1.333 1.430 -2.259 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C3 . . . . . . . . . rr_1pbz 1 . 4 . 1927 . 3 2 1 PC3 C4 C -5.300 4.191 -0.689 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4 . . . . . . . . . rr_1pbz 1 . 4 . 1928 . 3 2 1 PC3 C4A C -1.860 2.625 -1.680 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4A . . . . . . . . . rr_1pbz 1 . 4 . 1929 . 3 2 1 PC3 C4C C 0.281 2.930 -1.711 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4C . . . . . . . . . rr_1pbz 1 . 4 . 1930 . 3 2 1 PC3 C5 C -5.456 5.487 -0.080 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C5 . . . . . . . . . rr_1pbz 1 . 4 . 1931 . 3 2 1 PC3 C6 C -2.341 9.287 1.131 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6 . . . . . . . . . rr_1pbz 1 . 4 . 1932 . 3 2 1 PC3 C6A C -4.145 5.996 0.026 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6A . . . . . . . . . rr_1pbz 1 . 4 . 1933 . 3 2 1 PC3 C6C C -3.905 4.055 -0.881 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6C . . . . . . . . . rr_1pbz 1 . 4 . 1934 . 3 2 1 PC3 C7 C -0.913 9.504 1.020 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C7 . . . . . . . . . rr_1pbz 1 . 4 . 1935 . 3 2 1 PC3 C8 C -2.112 0.307 -2.944 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8 . . . . . . . . . rr_1pbz 1 . 4 . 1936 . 3 2 1 PC3 C8A C -0.408 8.301 0.463 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8A . . . . . . . . . rr_1pbz 1 . 4 . 1937 . 3 2 1 PC3 C8C C -2.538 7.958 0.657 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8C . . . . . . . . . rr_1pbz 1 . 4 . 1938 . 3 2 1 PC3 C9 C 4.499 4.757 -1.546 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C9 . . . . . . . . . rr_1pbz 1 . 4 . 1939 . 3 2 1 PC3 CA C 1.569 3.540 -1.465 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CA . . . . . . . . . rr_1pbz 1 . 4 . 1940 . 3 2 1 PC3 CB C -3.274 2.891 -1.464 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CB . . . . . . . . . rr_1pbz 1 . 4 . 1941 . 3 2 1 PC3 CC C -3.824 7.289 0.580 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CC . . . . . . . . . rr_1pbz 1 . 4 . 1942 . 3 2 1 PC3 CD C 0.986 8.085 0.138 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CD . . . . . . . . . rr_1pbz 1 . 4 . 1943 . 3 2 1 PC3 CO3 Co -1.158 5.414 -0.503 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CO3 . . . . . . . . . rr_1pbz 1 . 4 . 1944 . 3 2 1 PC3 CX5 C 2.142 1.531 -4.128 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CX5 . . . . . . . . . rr_1pbz 1 . 4 . 1945 . 3 2 1 PC3 H101 H 0.482 11.163 0.640 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H101 . . . . . . . . . rr_1pbz 1 . 4 . 1946 . 3 2 1 PC3 H102 H 0.616 10.476 2.257 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H102 . . . . . . . . . rr_1pbz 1 . 4 . 1947 . 3 2 1 PC3 H103 H -0.748 11.535 1.879 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H103 . . . . . . . . . rr_1pbz 1 . 4 . 1948 . 3 2 1 PC3 H111 H -7.492 6.202 -0.361 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H111 . . . . . . . . . rr_1pbz 1 . 4 . 1949 . 3 2 1 PC3 H112 H -6.544 7.164 0.808 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H112 . . . . . . . . . rr_1pbz 1 . 4 . 1950 . 3 2 1 PC3 H113 H -7.154 5.553 1.261 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H113 . . . . . . . . . rr_1pbz 1 . 4 . 1951 . 3 2 1 PC3 H121 H 1.647 0.138 -2.507 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H121 . . . . . . . . . rr_1pbz 1 . 4 . 1952 . 3 2 1 PC3 H122 H 0.527 0.138 -3.834 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H122 . . . . . . . . . rr_1pbz 1 . 4 . 1953 . 3 2 1 PC3 H141 H 4.796 7.674 -1.588 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H141 . . . . . . . . . rr_1pbz 1 . 4 . 1954 . 3 2 1 PC3 H142 H 3.633 8.849 -1.105 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H142 . . . . . . . . . rr_1pbz 1 . 4 . 1955 . 3 2 1 PC3 H151 H 4.845 7.433 1.278 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H151 . . . . . . . . . rr_1pbz 1 . 4 . 1956 . 3 2 1 PC3 H152 H 6.043 8.161 0.237 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H152 . . . . . . . . . rr_1pbz 1 . 4 . 1957 . 3 2 1 PC3 H161 H -4.297 10.206 0.785 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H161 . . . . . . . . . rr_1pbz 1 . 4 . 1958 . 3 2 1 PC3 H162 H -2.998 11.322 1.008 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H162 . . . . . . . . . rr_1pbz 1 . 4 . 1959 . 3 2 1 PC3 H171 H -2.927 10.738 3.517 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H171 . . . . . . . . . rr_1pbz 1 . 4 . 1960 . 3 2 1 PC3 H172 H -4.407 9.791 3.263 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H172 . . . . . . . . . rr_1pbz 1 . 4 . 1961 . 3 2 1 PC3 H181 H -7.283 3.434 -1.183 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H181 . . . . . . . . . rr_1pbz 1 . 4 . 1962 . 3 2 1 PC3 H182 H -5.955 2.304 -1.495 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H182 . . . . . . . . . rr_1pbz 1 . 4 . 1963 . 3 2 1 PC3 H191 H -6.875 1.396 0.542 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H191 . . . . . . . . . rr_1pbz 1 . 4 . 1964 . 3 2 1 PC3 H192 H -7.264 2.986 1.193 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H192 . . . . . . . . . rr_1pbz 1 . 4 . 1965 . 3 2 1 PC3 H221 H 2.572 0.773 -4.809 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H221 . . . . . . . . . rr_1pbz 1 . 4 . 1966 . 3 2 1 PC3 H222 H 3.016 1.879 -3.556 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H222 . . . . . . . . . rr_1pbz 1 . 4 . 1967 . 3 2 1 PC3 H81 H -2.319 0.548 -4.004 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H81 . . . . . . . . . rr_1pbz 1 . 4 . 1968 . 3 2 1 PC3 H82 H -1.546 -0.643 -2.936 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H82 . . . . . . . . . rr_1pbz 1 . 4 . 1969 . 3 2 1 PC3 H83 H -3.080 0.112 -2.453 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H83 . . . . . . . . . rr_1pbz 1 . 4 . 1970 . 3 2 1 PC3 H91 H 5.361 5.451 -1.565 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H91 . . . . . . . . . rr_1pbz 1 . 4 . 1971 . 3 2 1 PC3 H92 H 4.387 4.370 -2.578 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H92 . . . . . . . . . rr_1pbz 1 . 4 . 1972 . 3 2 1 PC3 H93 H 4.797 3.907 -0.905 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H93 . . . . . . . . . rr_1pbz 1 . 4 . 1973 . 3 2 1 PC3 HA H 2.423 2.938 -1.745 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HA . . . . . . . . . rr_1pbz 1 . 4 . 1974 . 3 2 1 PC3 HB H -3.954 2.106 -1.776 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HB . . . . . . . . . rr_1pbz 1 . 4 . 1975 . 3 2 1 PC3 HC H -4.671 7.860 0.947 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HC . . . . . . . . . rr_1pbz 1 . 4 . 1976 . 3 2 1 PC3 HD H 1.646 8.925 0.325 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HD . . . . . . . . . rr_1pbz 1 . 4 . 1977 . 3 2 1 PC3 N2B N 0.909 5.760 -0.654 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N2B . . . . . . . . . rr_1pbz 1 . 4 . 1978 . 3 2 1 PC3 N4B N -0.898 3.550 -1.339 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N4B . . . . . . . . . rr_1pbz 1 . 4 . 1979 . 3 2 1 PC3 N6B N -3.178 5.141 -0.451 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N6B . . . . . . . . . rr_1pbz 1 . 4 . 1980 . 3 2 1 PC3 N8B N -1.376 7.330 0.256 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N8B . . . . . . . . . rr_1pbz 1 . 4 . 1981 . 3 2 1 PC3 O1 O 5.703 10.173 1.660 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O1 . . . . . . . . . rr_1pbz 1 . 4 . 1982 . 3 2 1 PC3 O2 O 3.566 9.993 1.242 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O2 . . . . . . . . . rr_1pbz 1 . 4 . 1983 . 3 2 1 PC3 O22 O 1.636 2.582 -6.239 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O22 . . . . . . . . . rr_1pbz 1 . 4 . 1984 . 3 2 1 PC3 O23 O -4.185 1.946 0.897 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O23 . . . . . . . . . rr_1pbz 1 . 4 . 1985 . 3 2 1 PC3 O3 O 1.323 3.761 -4.425 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O3 . . . . . . . . . rr_1pbz 1 . 4 . 1986 . 3 2 1 PC3 O4 O -5.112 3.139 2.453 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O4 . . . . . . . . . rr_1pbz 1 . 4 . 1987 . 3 2 1 PC3 O5 O -5.816 11.870 2.547 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O5 . . . . . . . . . rr_1pbz 1 . 4 . 1988 . 3 2 1 PC3 O6 O -4.063 12.972 3.225 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O6 . . . . . . . . . rr_1pbz 1 . 5 . 1989 . 1 1 2 CYS C C -4.046 -3.166 -0.020 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . rr_1pbz 1 . 5 . 1990 . 1 1 2 CYS CA C -5.562 -2.729 -0.088 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 5 . 1991 . 1 1 2 CYS CB C -5.708 -1.620 -1.156 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 5 . 1992 . 1 1 2 CYS H H -5.913 -1.150 1.512 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H . . . . . . . . . rr_1pbz 1 . 5 . 1993 . 1 1 2 CYS HA H -6.123 -3.633 -0.473 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 5 . 1994 . 1 1 2 CYS HB2 H -5.263 -0.671 -0.801 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 5 . 1995 . 1 1 2 CYS HB3 H -5.152 -1.901 -2.068 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 5 . 1996 . 1 1 2 CYS N N -6.158 -2.108 1.146 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . rr_1pbz 1 . 5 . 1997 . 1 1 2 CYS O O -3.542 -3.678 -1.027 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . rr_1pbz 1 . 5 . 1998 . 1 1 2 CYS SG S -7.417 -1.322 -1.650 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 5 . 1999 . 1 1 3 GLY C C -1.220 -2.894 2.457 . . . 1.0 . . . . . . . . . . . . A . 2 GLY C . . . . . . . . . rr_1pbz 1 . 5 . 2000 . 1 1 3 GLY CA C -1.822 -3.160 1.064 . . . 1.0 . . . . . . . . . . . . A . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 5 . 2001 . 1 1 3 GLY H H -3.747 -2.820 1.979 . . . 1.0 . . . . . . . . . . . . A . 2 GLY H . . . . . . . . . rr_1pbz 1 . 5 . 2002 . 1 1 3 GLY HA2 H -1.539 -4.143 0.649 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 5 . 2003 . 1 1 3 GLY HA3 H -1.403 -2.414 0.356 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 5 . 2004 . 1 1 3 GLY N N -3.284 -2.991 1.082 . . . 1.0 . . . . . . . . . . . . A . 2 GLY N . . . . . . . . . rr_1pbz 1 . 5 . 2005 . 1 1 3 GLY O O -1.070 -1.742 2.851 . . . 1.0 . . . . . . . . . . . . A . 2 GLY O . . . . . . . . . rr_1pbz 1 . 5 . 2006 . 1 1 4 ALA C C 1.410 -3.187 4.283 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . rr_1pbz 1 . 5 . 2007 . 1 1 4 ALA CA C -0.045 -3.739 4.470 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 5 . 2008 . 1 1 4 ALA CB C -0.098 -5.056 5.226 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 5 . 2009 . 1 1 4 ALA H H -1.231 -4.834 2.969 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . rr_1pbz 1 . 5 . 2010 . 1 1 4 ALA HA H -0.568 -2.992 5.098 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 5 . 2011 . 1 1 4 ALA HB1 H 0.416 -4.943 6.197 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 5 . 2012 . 1 1 4 ALA HB2 H -1.143 -5.348 5.430 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2013 . 1 1 4 ALA HB3 H 0.403 -5.859 4.658 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2014 . 1 1 4 ALA N N -0.843 -3.928 3.221 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . rr_1pbz 1 . 5 . 2015 . 1 1 4 ALA O O 1.915 -2.470 5.148 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . rr_1pbz 1 . 5 . 2016 . 1 1 5 GLU C C 3.086 -1.267 2.444 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . rr_1pbz 1 . 5 . 2017 . 1 1 5 GLU CA C 3.327 -2.798 2.750 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 5 . 2018 . 1 1 5 GLU CB C 3.947 -3.523 1.553 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 5 . 2019 . 1 1 5 GLU CD C 6.113 -4.412 2.662 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 5 . 2020 . 1 1 5 GLU CG C 4.861 -4.742 1.869 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 5 . 2021 . 1 1 5 GLU H H 1.630 -4.255 2.618 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . rr_1pbz 1 . 5 . 2022 . 1 1 5 GLU HA H 4.071 -2.855 3.549 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 5 . 2023 . 1 1 5 GLU HB2 H 3.120 -3.789 0.873 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2024 . 1 1 5 GLU HB3 H 4.557 -2.770 1.028 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2025 . 1 1 5 GLU HG2 H 4.310 -5.522 2.420 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 5 . 2026 . 1 1 5 GLU HG3 H 5.203 -5.216 0.933 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 5 . 2027 . 1 1 5 GLU N N 2.084 -3.516 3.170 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . rr_1pbz 1 . 5 . 2028 . 1 1 5 GLU O O 3.848 -0.399 2.882 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . rr_1pbz 1 . 5 . 2029 . 1 1 5 GLU OE1 O 7.079 -3.865 2.100 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 5 . 2030 . 1 1 5 GLU OE2 O 6.135 -4.643 3.887 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 5 . 2031 . 1 1 6 ALA C C 1.186 1.118 2.962 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . rr_1pbz 1 . 5 . 2032 . 1 1 6 ALA CA C 1.502 0.462 1.578 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 5 . 2033 . 1 1 6 ALA CB C 0.222 0.395 0.735 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 5 . 2034 . 1 1 6 ALA H H 1.461 -1.783 1.477 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . rr_1pbz 1 . 5 . 2035 . 1 1 6 ALA HA H 2.234 1.144 1.060 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 5 . 2036 . 1 1 6 ALA HB1 H -0.194 1.399 0.582 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 5 . 2037 . 1 1 6 ALA HB2 H -0.577 -0.167 1.250 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2038 . 1 1 6 ALA HB3 H 0.388 -0.092 -0.238 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2039 . 1 1 6 ALA N N 2.011 -0.938 1.696 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . rr_1pbz 1 . 5 . 2040 . 1 1 6 ALA O O 1.630 2.241 3.158 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . rr_1pbz 1 . 5 . 2041 . 1 1 7 ALA C C 1.664 1.145 6.114 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_1pbz 1 . 5 . 2042 . 1 1 7 ALA CA C 0.329 0.933 5.307 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 5 . 2043 . 1 1 7 ALA CB C -0.459 -0.170 5.991 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 5 . 2044 . 1 1 7 ALA H H 0.092 -0.459 3.604 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_1pbz 1 . 5 . 2045 . 1 1 7 ALA HA H -0.316 1.853 5.351 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 5 . 2046 . 1 1 7 ALA HB1 H -1.392 -0.400 5.452 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 5 . 2047 . 1 1 7 ALA HB2 H 0.152 -1.087 6.059 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2048 . 1 1 7 ALA HB3 H -0.692 0.135 7.024 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2049 . 1 1 7 ALA N N 0.464 0.466 3.896 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_1pbz 1 . 5 . 2050 . 1 1 7 ALA O O 1.771 2.134 6.843 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_1pbz 1 . 5 . 2051 . 1 1 8 LYS C C 4.733 1.774 5.952 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1pbz 1 . 5 . 2052 . 1 1 8 LYS CA C 4.052 0.469 6.516 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 5 . 2053 . 1 1 8 LYS CB C 4.764 -0.884 6.234 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 5 . 2054 . 1 1 8 LYS CD C 6.689 -2.519 6.587 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 5 . 2055 . 1 1 8 LYS CE C 8.093 -2.792 6.017 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 5 . 2056 . 1 1 8 LYS CG C 6.249 -1.029 6.631 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 5 . 2057 . 1 1 8 LYS H H 2.436 -0.613 5.427 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1pbz 1 . 5 . 2058 . 1 1 8 LYS HA H 3.991 0.625 7.618 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 5 . 2059 . 1 1 8 LYS HB2 H 4.182 -1.682 6.740 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2060 . 1 1 8 LYS HB3 H 4.683 -1.126 5.155 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2061 . 1 1 8 LYS HD2 H 6.631 -2.918 7.619 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 5 . 2062 . 1 1 8 LYS HD3 H 5.948 -3.149 6.045 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 5 . 2063 . 1 1 8 LYS HE2 H 8.840 -2.075 6.425 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 5 . 2064 . 1 1 8 LYS HE3 H 8.432 -3.797 6.361 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 5 . 2065 . 1 1 8 LYS HG2 H 6.860 -0.394 5.958 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 5 . 2066 . 1 1 8 LYS HG3 H 6.419 -0.613 7.645 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 5 . 2067 . 1 1 8 LYS HZ1 H 7.655 -1.909 4.109 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 5 . 2068 . 1 1 8 LYS HZ2 H 8.878 -3.019 4.004 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 5 . 2069 . 1 1 8 LYS HZ3 H 7.348 -3.474 4.152 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 5 . 2070 . 1 1 8 LYS N N 2.667 0.240 5.987 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1pbz 1 . 5 . 2071 . 1 1 8 LYS NZ N 8.033 -2.765 4.529 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 5 . 2072 . 1 1 8 LYS O O 5.266 2.583 6.719 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1pbz 1 . 5 . 2073 . 1 1 9 ALA C C 4.106 4.519 4.496 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_1pbz 1 . 5 . 2074 . 1 1 9 ALA CA C 4.995 3.314 4.014 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 5 . 2075 . 1 1 9 ALA CB C 4.802 3.152 2.522 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 5 . 2076 . 1 1 9 ALA H H 4.337 1.198 4.082 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_1pbz 1 . 5 . 2077 . 1 1 9 ALA HA H 6.072 3.538 4.128 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 5 . 2078 . 1 1 9 ALA HB1 H 5.104 4.094 2.031 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 5 . 2079 . 1 1 9 ALA HB2 H 3.744 2.955 2.291 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2080 . 1 1 9 ALA HB3 H 5.425 2.325 2.149 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2081 . 1 1 9 ALA N N 4.668 2.003 4.628 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_1pbz 1 . 5 . 2082 . 1 1 9 ALA O O 4.631 5.608 4.697 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_1pbz 1 . 5 . 2083 . 1 1 10 HIS C C 2.284 5.743 6.764 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_1pbz 1 . 5 . 2084 . 1 1 10 HIS CA C 1.865 5.333 5.302 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 5 . 2085 . 1 1 10 HIS CB C 0.433 4.778 5.099 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 5 . 2086 . 1 1 10 HIS CD2 C 0.217 5.140 2.480 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 5 . 2087 . 1 1 10 HIS CE1 C -1.320 3.642 2.069 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 5 . 2088 . 1 1 10 HIS CG C -0.143 4.540 3.680 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 5 . 2089 . 1 1 10 HIS H H 2.432 3.392 4.391 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_1pbz 1 . 5 . 2090 . 1 1 10 HIS HA H 1.916 6.306 4.787 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 5 . 2091 . 1 1 10 HIS HB2 H 0.401 3.826 5.652 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2092 . 1 1 10 HIS HB3 H -0.259 5.438 5.636 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2093 . 1 1 10 HIS HD1 H -1.634 2.974 4.114 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 5 . 2094 . 1 1 10 HIS HD2 H 0.995 5.869 2.302 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 5 . 2095 . 1 1 10 HIS HE1 H -2.005 2.971 1.556 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 5 . 2096 . 1 1 10 HIS N N 2.773 4.345 4.642 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_1pbz 1 . 5 . 2097 . 1 1 10 HIS ND1 N -1.077 3.523 3.445 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 5 . 2098 . 1 1 10 HIS NE2 N -0.595 4.647 1.528 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 5 . 2099 . 1 1 10 HIS O O 2.370 6.947 7.001 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_1pbz 1 . 5 . 2100 . 1 1 11 ALA C C 4.640 5.885 8.842 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_1pbz 1 . 5 . 2101 . 1 1 11 ALA CA C 3.264 5.132 8.977 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 5 . 2102 . 1 1 11 ALA CB C 3.399 3.738 9.640 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 5 . 2103 . 1 1 11 ALA H H 1.894 4.048 7.798 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_1pbz 1 . 5 . 2104 . 1 1 11 ALA HA H 2.619 5.776 9.599 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 5 . 2105 . 1 1 11 ALA HB1 H 4.010 3.045 9.025 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 5 . 2106 . 1 1 11 ALA HB2 H 3.904 3.803 10.620 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2107 . 1 1 11 ALA HB3 H 2.426 3.239 9.804 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2108 . 1 1 11 ALA N N 2.569 4.816 7.703 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_1pbz 1 . 5 . 2109 . 1 1 11 ALA O O 4.783 6.986 9.389 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_1pbz 1 . 5 . 2110 . 1 1 12 LYS C C 6.742 7.518 7.173 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_1pbz 1 . 5 . 2111 . 1 1 12 LYS CA C 6.887 6.058 7.745 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 5 . 2112 . 1 1 12 LYS CB C 7.716 5.126 6.809 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 5 . 2113 . 1 1 12 LYS CD C 9.463 5.996 5.026 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 5 . 2114 . 1 1 12 LYS CE C 8.701 7.253 4.567 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 5 . 2115 . 1 1 12 LYS CG C 9.173 5.586 6.495 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 5 . 2116 . 1 1 12 LYS H H 5.185 4.616 7.423 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_1pbz 1 . 5 . 2117 . 1 1 12 LYS HA H 7.454 6.163 8.694 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 5 . 2118 . 1 1 12 LYS HB2 H 7.770 4.128 7.287 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2119 . 1 1 12 LYS HB3 H 7.150 4.943 5.874 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2120 . 1 1 12 LYS HD2 H 10.553 6.166 4.927 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 5 . 2121 . 1 1 12 LYS HD3 H 9.237 5.144 4.355 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 5 . 2122 . 1 1 12 LYS HE2 H 7.610 7.047 4.601 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 5 . 2123 . 1 1 12 LYS HE3 H 8.856 8.094 5.283 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 5 . 2124 . 1 1 12 LYS HG2 H 9.479 6.399 7.192 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 5 . 2125 . 1 1 12 LYS HG3 H 9.863 4.764 6.770 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 5 . 2126 . 1 1 12 LYS HZ1 H 8.788 6.941 2.469 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 5 . 2127 . 1 1 12 LYS HZ2 H 9.968 8.029 2.983 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 5 . 2128 . 1 1 12 LYS HZ3 H 8.328 8.329 2.805 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 5 . 2129 . 1 1 12 LYS N N 5.594 5.340 8.049 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_1pbz 1 . 5 . 2130 . 1 1 12 LYS NZ N 9.038 7.656 3.181 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 5 . 2131 . 1 1 12 LYS O O 7.518 8.431 7.465 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_1pbz 1 . 5 . 2132 . 1 1 13 ALA C C 4.651 9.875 6.943 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . rr_1pbz 1 . 5 . 2133 . 1 1 13 ALA CA C 5.300 9.016 5.811 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 5 . 2134 . 1 1 13 ALA CB C 4.451 8.720 4.572 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 5 . 2135 . 1 1 13 ALA H H 5.280 6.824 6.073 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . rr_1pbz 1 . 5 . 2136 . 1 1 13 ALA HA H 6.192 9.559 5.458 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 5 . 2137 . 1 1 13 ALA HB1 H 4.157 9.642 4.048 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 5 . 2138 . 1 1 13 ALA HB2 H 5.031 8.130 3.847 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2139 . 1 1 13 ALA HB3 H 3.532 8.159 4.816 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2140 . 1 1 13 ALA N N 5.752 7.704 6.297 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . rr_1pbz 1 . 5 . 2141 . 1 1 13 ALA O O 5.276 10.822 7.384 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . rr_1pbz 1 . 5 . 2142 . 1 1 14 ALA C C 3.920 10.648 9.903 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_1pbz 1 . 5 . 2143 . 1 1 14 ALA CA C 2.923 10.219 8.738 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 5 . 2144 . 1 1 14 ALA CB C 1.847 9.214 9.169 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 5 . 2145 . 1 1 14 ALA H H 2.935 9.023 6.826 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_1pbz 1 . 5 . 2146 . 1 1 14 ALA HA H 2.415 11.156 8.446 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 5 . 2147 . 1 1 14 ALA HB1 H 1.112 9.029 8.360 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 5 . 2148 . 1 1 14 ALA HB2 H 1.291 9.577 10.047 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2149 . 1 1 14 ALA HB3 H 2.301 8.238 9.427 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2150 . 1 1 14 ALA N N 3.473 9.581 7.486 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_1pbz 1 . 5 . 2151 . 1 1 14 ALA O O 3.680 11.605 10.640 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_1pbz 1 . 5 . 2152 . 1 1 15 GLU C C 7.105 11.375 10.032 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . rr_1pbz 1 . 5 . 2153 . 1 1 15 GLU CA C 6.261 10.238 10.763 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 5 . 2154 . 1 1 15 GLU CB C 6.993 8.866 10.942 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 5 . 2155 . 1 1 15 GLU CD C 9.285 7.659 10.991 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 5 . 2156 . 1 1 15 GLU CG C 8.460 8.850 11.468 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 5 . 2157 . 1 1 15 GLU H H 4.984 9.250 9.192 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . rr_1pbz 1 . 5 . 2158 . 1 1 15 GLU HA H 5.991 10.621 11.765 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 5 . 2159 . 1 1 15 GLU HB2 H 6.380 8.206 11.586 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2160 . 1 1 15 GLU HB3 H 6.997 8.348 9.965 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2161 . 1 1 15 GLU HG2 H 9.027 9.737 11.144 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 5 . 2162 . 1 1 15 GLU HG3 H 8.486 8.868 12.570 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 5 . 2163 . 1 1 15 GLU N N 5.021 9.898 9.998 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . rr_1pbz 1 . 5 . 2164 . 1 1 15 GLU O O 7.091 12.526 10.477 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . rr_1pbz 1 . 5 . 2165 . 1 1 15 GLU OE1 O 9.570 7.572 9.774 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 5 . 2166 . 1 1 15 GLU OE2 O 9.645 6.804 11.822 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 5 . 2167 . 1 1 16 ALA C C 7.948 12.713 6.856 . . . 1.0 . . . . . . . . . . . . A . 15 ALA C . . . . . . . . . rr_1pbz 1 . 5 . 2168 . 1 1 16 ALA CA C 8.628 12.079 8.141 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 5 . 2169 . 1 1 16 ALA CB C 9.961 11.368 7.826 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 5 . 2170 . 1 1 16 ALA H H 7.902 10.056 8.780 . . . 1.0 . . . . . . . . . . . . A . 15 ALA H . . . . . . . . . rr_1pbz 1 . 5 . 2171 . 1 1 16 ALA HA H 8.872 12.942 8.793 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 5 . 2172 . 1 1 16 ALA HB1 H 10.663 12.040 7.301 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 5 . 2173 . 1 1 16 ALA HB2 H 10.470 11.026 8.748 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2174 . 1 1 16 ALA HB3 H 9.814 10.475 7.191 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2175 . 1 1 16 ALA N N 7.836 11.076 8.930 . . . 1.0 . . . . . . . . . . . . A . 15 ALA N . . . . . . . . . rr_1pbz 1 . 5 . 2176 . 1 1 16 ALA O O 8.082 13.913 6.603 . . . 1.0 . . . . . . . . . . . . A . 15 ALA O . . . . . . . . . rr_1pbz 1 . 5 . 2177 . 1 1 17 GLY C C 4.994 12.849 5.364 . . . 1.0 . . . . . . . . . . . . A . 16 GLY C . . . . . . . . . rr_1pbz 1 . 5 . 2178 . 1 1 17 GLY CA C 6.390 12.346 4.910 . . . 1.0 . . . . . . . . . . . . A . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 5 . 2179 . 1 1 17 GLY H H 7.030 11.070 6.562 . . . 1.0 . . . . . . . . . . . . A . 16 GLY H . . . . . . . . . rr_1pbz 1 . 5 . 2180 . 1 1 17 GLY HA2 H 6.842 13.114 4.285 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 5 . 2181 . 1 1 17 GLY HA3 H 6.217 11.456 4.268 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 5 . 2182 . 1 1 17 GLY N N 7.301 11.895 6.009 . . . 1.0 . . . . . . . . . . . . A . 16 GLY N . . . . . . . . . rr_1pbz 1 . 5 . 2183 . 1 1 17 GLY O O 4.894 13.786 6.158 . . . 1.0 . . . . . . . . . . . . A . 16 GLY O . . . . . . . . . rr_1pbz 1 . 5 . 2184 . 1 1 18 CYS C C 1.532 11.293 5.036 . . . 1.0 . . . . . . . . . . . . A . 17 CYS C . . . . . . . . . rr_1pbz 1 . 5 . 2185 . 1 1 18 CYS CA C 2.551 12.410 5.417 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 5 . 2186 . 1 1 18 CYS CB C 2.019 13.751 4.849 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 5 . 2187 . 1 1 18 CYS H H 4.078 11.571 4.094 . . . 1.0 . . . . . . . . . . . . A . 17 CYS H . . . . . . . . . rr_1pbz 1 . 5 . 2188 . 1 1 18 CYS HA H 2.668 12.342 6.537 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 5 . 2189 . 1 1 18 CYS HB2 H 1.059 14.026 5.319 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2190 . 1 1 18 CYS HB3 H 2.714 14.590 5.036 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2191 . 1 1 18 CYS N N 3.911 12.215 4.866 . . . 1.0 . . . . . . . . . . . . A . 17 CYS N . . . . . . . . . rr_1pbz 1 . 5 . 2192 . 1 1 18 CYS O O 1.790 10.091 4.902 . . . 1.0 . . . . . . . . . . . . A . 17 CYS O . . . . . . . . . rr_1pbz 1 . 5 . 2193 . 1 1 18 CYS SG S 1.762 13.557 3.060 . . . 1.0 . . . . . . . . . . . . A . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 5 . 2194 . 1 1 19 NH2 HN1 H 0.124 12.759 4.985 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 5 . 2195 . 1 1 19 NH2 HN2 H -0.450 11.118 4.619 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 5 . 2196 . 1 1 19 NH2 N N 0.312 11.758 4.868 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 5 . 2197 . 2 1 2 CYS C C -6.203 -0.614 -6.883 . . . 1.0 . . . . . . . . . . . . B . 1 CYS C . . . . . . . . . rr_1pbz 1 . 5 . 2198 . 2 1 2 CYS CA C -6.146 -1.602 -5.656 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 5 . 2199 . 2 1 2 CYS CB C -7.402 -1.641 -4.750 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 5 . 2200 . 2 1 2 CYS H H -4.932 -0.956 -3.847 . . . 1.0 . . . . . . . . . . . . B . 1 CYS H . . . . . . . . . rr_1pbz 1 . 5 . 2201 . 2 1 2 CYS HA H -6.131 -2.607 -6.158 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 5 . 2202 . 2 1 2 CYS HB2 H -8.333 -1.572 -5.342 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2203 . 2 1 2 CYS HB3 H -7.457 -2.628 -4.249 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2204 . 2 1 2 CYS N N -4.952 -1.452 -4.755 . . . 1.0 . . . . . . . . . . . . B . 1 CYS N . . . . . . . . . rr_1pbz 1 . 5 . 2205 . 2 1 2 CYS O O -6.539 -1.082 -7.975 . . . 1.0 . . . . . . . . . . . . B . 1 CYS O . . . . . . . . . rr_1pbz 1 . 5 . 2206 . 2 1 2 CYS SG S -7.422 -0.392 -3.437 . . . 1.0 . . . . . . . . . . . . B . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 5 . 2207 . 2 1 3 GLY C C -6.277 2.988 -7.874 . . . 1.0 . . . . . . . . . . . . B . 2 GLY C . . . . . . . . . rr_1pbz 1 . 5 . 2208 . 2 1 3 GLY CA C -5.689 1.570 -7.965 . . . 1.0 . . . . . . . . . . . . B . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 5 . 2209 . 2 1 3 GLY H H -5.715 1.042 -5.829 . . . 1.0 . . . . . . . . . . . . B . 2 GLY H . . . . . . . . . rr_1pbz 1 . 5 . 2210 . 2 1 3 GLY HA2 H -4.596 1.677 -8.122 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 5 . 2211 . 2 1 3 GLY HA3 H -6.042 1.107 -8.905 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 5 . 2212 . 2 1 3 GLY N N -5.884 0.692 -6.775 . . . 1.0 . . . . . . . . . . . . B . 2 GLY N . . . . . . . . . rr_1pbz 1 . 5 . 2213 . 2 1 3 GLY O O -5.535 3.962 -7.942 . . . 1.0 . . . . . . . . . . . . B . 2 GLY O . . . . . . . . . rr_1pbz 1 . 5 . 2214 . 2 1 4 ALA C C -8.386 5.235 -6.484 . . . 1.0 . . . . . . . . . . . . B . 3 ALA C . . . . . . . . . rr_1pbz 1 . 5 . 2215 . 2 1 4 ALA CA C -8.285 4.446 -7.828 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 5 . 2216 . 2 1 4 ALA CB C -9.647 4.157 -8.455 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 5 . 2217 . 2 1 4 ALA H H -8.112 2.244 -7.629 . . . 1.0 . . . . . . . . . . . . B . 3 ALA H . . . . . . . . . rr_1pbz 1 . 5 . 2218 . 2 1 4 ALA HA H -7.726 5.121 -8.520 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 5 . 2219 . 2 1 4 ALA HB1 H -9.534 3.687 -9.450 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 5 . 2220 . 2 1 4 ALA HB2 H -10.209 5.097 -8.589 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2221 . 2 1 4 ALA HB3 H -10.248 3.484 -7.816 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2222 . 2 1 4 ALA N N -7.605 3.119 -7.786 . . . 1.0 . . . . . . . . . . . . B . 3 ALA N . . . . . . . . . rr_1pbz 1 . 5 . 2223 . 2 1 4 ALA O O -8.173 6.450 -6.504 . . . 1.0 . . . . . . . . . . . . B . 3 ALA O . . . . . . . . . rr_1pbz 1 . 5 . 2224 . 2 1 5 GLU C C -7.066 5.697 -3.712 . . . 1.0 . . . . . . . . . . . . B . 4 GLU C . . . . . . . . . rr_1pbz 1 . 5 . 2225 . 2 1 5 GLU CA C -8.543 5.224 -3.986 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 5 . 2226 . 2 1 5 GLU CB C -9.138 4.246 -2.930 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 5 . 2227 . 2 1 5 GLU CD C -8.671 5.799 -0.876 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 5 . 2228 . 2 1 5 GLU CG C -9.631 4.883 -1.602 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 5 . 2229 . 2 1 5 GLU H H -9.119 3.666 -5.450 . . . 1.0 . . . . . . . . . . . . B . 4 GLU H . . . . . . . . . rr_1pbz 1 . 5 . 2230 . 2 1 5 GLU HA H -9.132 6.153 -3.992 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 5 . 2231 . 2 1 5 GLU HB2 H -10.005 3.696 -3.349 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2232 . 2 1 5 GLU HB3 H -8.398 3.457 -2.696 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2233 . 2 1 5 GLU HG2 H -10.560 5.456 -1.769 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 5 . 2234 . 2 1 5 GLU HG3 H -9.905 4.096 -0.879 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 5 . 2235 . 2 1 5 GLU N N -8.694 4.590 -5.338 . . . 1.0 . . . . . . . . . . . . B . 4 GLU N . . . . . . . . . rr_1pbz 1 . 5 . 2236 . 2 1 5 GLU O O -6.816 6.859 -3.371 . . . 1.0 . . . . . . . . . . . . B . 4 GLU O . . . . . . . . . rr_1pbz 1 . 5 . 2237 . 2 1 5 GLU OE1 O -7.559 5.364 -0.510 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 5 . 2238 . 2 1 5 GLU OE2 O -8.994 6.997 -0.717 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 5 . 2239 . 2 1 6 ALA C C -4.444 6.441 -5.046 . . . 1.0 . . . . . . . . . . . . B . 5 ALA C . . . . . . . . . rr_1pbz 1 . 5 . 2240 . 2 1 6 ALA CA C -4.655 5.213 -4.124 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 5 . 2241 . 2 1 6 ALA CB C -3.906 4.040 -4.778 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 5 . 2242 . 2 1 6 ALA H H -6.517 4.024 -4.518 . . . 1.0 . . . . . . . . . . . . B . 5 ALA H . . . . . . . . . rr_1pbz 1 . 5 . 2243 . 2 1 6 ALA HA H -4.201 5.477 -3.134 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 5 . 2244 . 2 1 6 ALA HB1 H -4.320 3.825 -5.783 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 5 . 2245 . 2 1 6 ALA HB2 H -2.848 4.295 -4.976 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2246 . 2 1 6 ALA HB3 H -3.963 3.118 -4.196 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2247 . 2 1 6 ALA N N -6.087 4.815 -4.015 . . . 1.0 . . . . . . . . . . . . B . 5 ALA N . . . . . . . . . rr_1pbz 1 . 5 . 2248 . 2 1 6 ALA O O -3.877 7.423 -4.577 . . . 1.0 . . . . . . . . . . . . B . 5 ALA O . . . . . . . . . rr_1pbz 1 . 5 . 2249 . 2 1 7 ALA C C -5.211 8.907 -6.804 . . . 1.0 . . . . . . . . . . . . B . 6 ALA C . . . . . . . . . rr_1pbz 1 . 5 . 2250 . 2 1 7 ALA CA C -4.659 7.499 -7.253 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 5 . 2251 . 2 1 7 ALA CB C -5.339 7.083 -8.546 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 5 . 2252 . 2 1 7 ALA H H -5.488 5.599 -6.595 . . . 1.0 . . . . . . . . . . . . B . 6 ALA H . . . . . . . . . rr_1pbz 1 . 5 . 2253 . 2 1 7 ALA HA H -3.560 7.435 -7.403 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 5 . 2254 . 2 1 7 ALA HB1 H -6.428 6.971 -8.383 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 5 . 2255 . 2 1 7 ALA HB2 H -5.188 7.865 -9.306 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2256 . 2 1 7 ALA HB3 H -4.927 6.132 -8.913 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2257 . 2 1 7 ALA N N -4.912 6.410 -6.310 . . . 1.0 . . . . . . . . . . . . B . 6 ALA N . . . . . . . . . rr_1pbz 1 . 5 . 2258 . 2 1 7 ALA O O -4.477 9.894 -6.781 . . . 1.0 . . . . . . . . . . . . B . 6 ALA O . . . . . . . . . rr_1pbz 1 . 5 . 2259 . 2 1 8 LYS C C -6.461 10.649 -4.450 . . . 1.0 . . . . . . . . . . . . B . 7 LYS C . . . . . . . . . rr_1pbz 1 . 5 . 2260 . 2 1 8 LYS CA C -7.160 10.102 -5.742 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 5 . 2261 . 2 1 8 LYS CB C -8.634 9.678 -5.472 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 5 . 2262 . 2 1 8 LYS CD C -10.951 10.518 -4.735 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 5 . 2263 . 2 1 8 LYS CE C -11.966 11.678 -4.714 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 5 . 2264 . 2 1 8 LYS CG C -9.569 10.896 -5.308 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 5 . 2265 . 2 1 8 LYS H H -6.961 8.024 -6.476 . . . 1.0 . . . . . . . . . . . . B . 7 LYS H . . . . . . . . . rr_1pbz 1 . 5 . 2266 . 2 1 8 LYS HA H -7.147 10.935 -6.478 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 5 . 2267 . 2 1 8 LYS HB2 H -9.027 9.035 -6.287 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2268 . 2 1 8 LYS HB3 H -8.665 9.011 -4.580 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2269 . 2 1 8 LYS HD2 H -11.371 9.689 -5.342 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 5 . 2270 . 2 1 8 LYS HD3 H -10.830 10.072 -3.724 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 5 . 2271 . 2 1 8 LYS HE2 H -12.137 12.042 -5.755 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 5 . 2272 . 2 1 8 LYS HE3 H -12.959 11.286 -4.393 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 5 . 2273 . 2 1 8 LYS HG2 H -9.081 11.642 -4.648 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 5 . 2274 . 2 1 8 LYS HG3 H -9.671 11.400 -6.291 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 5 . 2275 . 2 1 8 LYS HZ1 H -11.314 12.467 -2.862 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 5 . 2276 . 2 1 8 LYS HZ2 H -10.618 13.200 -4.142 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 5 . 2277 . 2 1 8 LYS HZ3 H -12.160 13.579 -3.745 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 5 . 2278 . 2 1 8 LYS N N -6.501 8.943 -6.398 . . . 1.0 . . . . . . . . . . . . B . 7 LYS N . . . . . . . . . rr_1pbz 1 . 5 . 2279 . 2 1 8 LYS NZ N -11.507 12.787 -3.820 . . . 1.0 . . . . . . . . . . . . B . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 5 . 2280 . 2 1 8 LYS O O -6.320 11.860 -4.310 . . . 1.0 . . . . . . . . . . . . B . 7 LYS O . . . . . . . . . rr_1pbz 1 . 5 . 2281 . 2 1 9 ALA C C -3.719 10.722 -2.783 . . . 1.0 . . . . . . . . . . . . B . 8 ALA C . . . . . . . . . rr_1pbz 1 . 5 . 2282 . 2 1 9 ALA CA C -5.146 10.183 -2.387 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 5 . 2283 . 2 1 9 ALA CB C -4.912 8.906 -1.608 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 5 . 2284 . 2 1 9 ALA H H -6.323 8.807 -3.660 . . . 1.0 . . . . . . . . . . . . B . 8 ALA H . . . . . . . . . rr_1pbz 1 . 5 . 2285 . 2 1 9 ALA HA H -5.669 10.859 -1.679 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 5 . 2286 . 2 1 9 ALA HB1 H -5.860 8.468 -1.260 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 5 . 2287 . 2 1 9 ALA HB2 H -4.380 8.159 -2.225 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2288 . 2 1 9 ALA HB3 H -4.278 9.150 -0.742 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2289 . 2 1 9 ALA N N -6.043 9.788 -3.507 . . . 1.0 . . . . . . . . . . . . B . 8 ALA N . . . . . . . . . rr_1pbz 1 . 5 . 2290 . 2 1 9 ALA O O -3.144 11.586 -2.114 . . . 1.0 . . . . . . . . . . . . B . 8 ALA O . . . . . . . . . rr_1pbz 1 . 5 . 2291 . 2 1 10 HIS C C -1.791 11.910 -5.014 . . . 1.0 . . . . . . . . . . . . B . 9 HIS C . . . . . . . . . rr_1pbz 1 . 5 . 2292 . 2 1 10 HIS CA C -1.754 10.493 -4.315 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 5 . 2293 . 2 1 10 HIS CB C -1.275 9.222 -5.061 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 5 . 2294 . 2 1 10 HIS CD2 C -1.136 7.762 -2.825 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 5 . 2295 . 2 1 10 HIS CE1 C -0.859 5.812 -3.767 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 5 . 2296 . 2 1 10 HIS CG C -1.031 7.938 -4.215 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 5 . 2297 . 2 1 10 HIS H H -3.734 9.506 -4.400 . . . 1.0 . . . . . . . . . . . . B . 9 HIS H . . . . . . . . . rr_1pbz 1 . 5 . 2298 . 2 1 10 HIS HA H -1.050 10.608 -3.468 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 5 . 2299 . 2 1 10 HIS HB2 H -2.019 8.988 -5.852 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2300 . 2 1 10 HIS HB3 H -0.353 9.470 -5.605 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2301 . 2 1 10 HIS HD1 H -0.710 6.483 -5.839 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 5 . 2302 . 2 1 10 HIS HD2 H -1.333 8.541 -2.089 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 5 . 2303 . 2 1 10 HIS HE1 H -0.765 4.745 -3.928 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 5 . 2304 . 2 1 10 HIS N N -3.108 10.111 -3.816 . . . 1.0 . . . . . . . . . . . . B . 9 HIS N . . . . . . . . . rr_1pbz 1 . 5 . 2305 . 2 1 10 HIS ND1 N -0.902 6.704 -4.852 . . . 1.0 . . . . . . . . . . . . B . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 5 . 2306 . 2 1 10 HIS NE2 N -0.955 6.447 -2.577 . . . 1.0 . . . . . . . . . . . . B . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 5 . 2307 . 2 1 10 HIS O O -0.992 12.794 -4.671 . . . 1.0 . . . . . . . . . . . . B . 9 HIS O . . . . . . . . . rr_1pbz 1 . 5 . 2308 . 2 1 11 ALA C C -3.566 14.452 -5.209 . . . 1.0 . . . . . . . . . . . . B . 10 ALA C . . . . . . . . . rr_1pbz 1 . 5 . 2309 . 2 1 11 ALA CA C -3.189 13.474 -6.376 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 5 . 2310 . 2 1 11 ALA CB C -4.381 13.214 -7.321 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 5 . 2311 . 2 1 11 ALA H H -3.129 11.325 -6.429 . . . 1.0 . . . . . . . . . . . . B . 10 ALA H . . . . . . . . . rr_1pbz 1 . 5 . 2312 . 2 1 11 ALA HA H -2.367 13.938 -6.949 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 5 . 2313 . 2 1 11 ALA HB1 H -5.229 12.733 -6.793 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 5 . 2314 . 2 1 11 ALA HB2 H -4.113 12.566 -8.175 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2315 . 2 1 11 ALA HB3 H -4.771 14.162 -7.735 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2316 . 2 1 11 ALA N N -2.785 12.133 -5.903 . . . 1.0 . . . . . . . . . . . . B . 10 ALA N . . . . . . . . . rr_1pbz 1 . 5 . 2317 . 2 1 11 ALA O O -2.929 15.490 -5.137 . . . 1.0 . . . . . . . . . . . . B . 10 ALA O . . . . . . . . . rr_1pbz 1 . 5 . 2318 . 2 1 12 LYS C C -3.470 15.555 -2.329 . . . 1.0 . . . . . . . . . . . . B . 11 LYS C . . . . . . . . . rr_1pbz 1 . 5 . 2319 . 2 1 12 LYS CA C -4.735 14.895 -2.995 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 5 . 2320 . 2 1 12 LYS CB C -5.552 14.009 -2.016 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 5 . 2321 . 2 1 12 LYS CD C -5.635 13.581 0.538 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 5 . 2322 . 2 1 12 LYS CE C -6.922 12.966 1.108 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 5 . 2323 . 2 1 12 LYS CG C -5.849 14.602 -0.608 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 5 . 2324 . 2 1 12 LYS H H -4.644 13.081 -4.337 . . . 1.0 . . . . . . . . . . . . B . 11 LYS H . . . . . . . . . rr_1pbz 1 . 5 . 2325 . 2 1 12 LYS HA H -5.424 15.717 -3.240 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 5 . 2326 . 2 1 12 LYS HB2 H -6.502 13.727 -2.505 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2327 . 2 1 12 LYS HB3 H -5.001 13.065 -1.914 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2328 . 2 1 12 LYS HD2 H -4.949 12.767 0.218 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 5 . 2329 . 2 1 12 LYS HD3 H -5.006 14.044 1.330 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 5 . 2330 . 2 1 12 LYS HE2 H -7.673 12.788 0.307 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 5 . 2331 . 2 1 12 LYS HE3 H -6.676 11.954 1.512 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 5 . 2332 . 2 1 12 LYS HG2 H -5.172 15.456 -0.401 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 5 . 2333 . 2 1 12 LYS HG3 H -6.844 15.086 -0.598 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 5 . 2334 . 2 1 12 LYS HZ1 H -6.660 13.953 2.912 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 5 . 2335 . 2 1 12 LYS HZ2 H -7.525 14.833 1.854 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 5 . 2336 . 2 1 12 LYS HZ3 H -8.249 13.569 2.672 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 5 . 2337 . 2 1 12 LYS N N -4.466 14.093 -4.256 . . . 1.0 . . . . . . . . . . . . B . 11 LYS N . . . . . . . . . rr_1pbz 1 . 5 . 2338 . 2 1 12 LYS NZ N -7.394 13.870 2.191 . . . 1.0 . . . . . . . . . . . . B . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 5 . 2339 . 2 1 12 LYS O O -3.419 16.776 -2.113 . . . 1.0 . . . . . . . . . . . . B . 11 LYS O . . . . . . . . . rr_1pbz 1 . 5 . 2340 . 2 1 13 ALA C C -0.515 16.220 -2.709 . . . 1.0 . . . . . . . . . . . . B . 12 ALA C . . . . . . . . . rr_1pbz 1 . 5 . 2341 . 2 1 13 ALA CA C -1.100 15.192 -1.670 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 5 . 2342 . 2 1 13 ALA CB C -0.265 13.926 -1.392 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 5 . 2343 . 2 1 13 ALA H H -2.702 13.726 -2.126 . . . 1.0 . . . . . . . . . . . . B . 12 ALA H . . . . . . . . . rr_1pbz 1 . 5 . 2344 . 2 1 13 ALA HA H -1.208 15.731 -0.719 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 5 . 2345 . 2 1 13 ALA HB1 H -0.685 13.345 -0.548 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 5 . 2346 . 2 1 13 ALA HB2 H -0.212 13.259 -2.271 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2347 . 2 1 13 ALA HB3 H 0.772 14.185 -1.119 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2348 . 2 1 13 ALA N N -2.449 14.720 -2.048 . . . 1.0 . . . . . . . . . . . . B . 12 ALA N . . . . . . . . . rr_1pbz 1 . 5 . 2349 . 2 1 13 ALA O O -0.606 17.426 -2.469 . . . 1.0 . . . . . . . . . . . . B . 12 ALA O . . . . . . . . . rr_1pbz 1 . 5 . 2350 . 2 1 14 ALA C C -0.738 17.824 -5.528 . . . 1.0 . . . . . . . . . . . . B . 13 ALA C . . . . . . . . . rr_1pbz 1 . 5 . 2351 . 2 1 14 ALA CA C 0.280 16.706 -5.038 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 5 . 2352 . 2 1 14 ALA CB C 0.565 15.697 -6.171 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 5 . 2353 . 2 1 14 ALA H H -0.194 14.792 -4.034 . . . 1.0 . . . . . . . . . . . . B . 13 ALA H . . . . . . . . . rr_1pbz 1 . 5 . 2354 . 2 1 14 ALA HA H 1.217 17.242 -4.798 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 5 . 2355 . 2 1 14 ALA HB1 H -0.344 15.121 -6.436 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 5 . 2356 . 2 1 14 ALA HB2 H 0.891 16.211 -7.093 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2357 . 2 1 14 ALA HB3 H 1.353 14.966 -5.911 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2358 . 2 1 14 ALA N N -0.052 15.795 -3.894 . . . 1.0 . . . . . . . . . . . . B . 13 ALA N . . . . . . . . . rr_1pbz 1 . 5 . 2359 . 2 1 14 ALA O O -0.425 18.572 -6.458 . . . 1.0 . . . . . . . . . . . . B . 13 ALA O . . . . . . . . . rr_1pbz 1 . 5 . 2360 . 2 1 15 GLU C C -2.798 20.131 -4.213 . . . 1.0 . . . . . . . . . . . . B . 14 GLU C . . . . . . . . . rr_1pbz 1 . 5 . 2361 . 2 1 15 GLU CA C -2.986 18.945 -5.201 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 5 . 2362 . 2 1 15 GLU CB C -4.340 18.161 -5.178 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 5 . 2363 . 2 1 15 GLU CD C -6.794 17.856 -4.401 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 5 . 2364 . 2 1 15 GLU CG C -5.710 18.836 -4.871 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 5 . 2365 . 2 1 15 GLU H H -1.979 17.291 -4.063 . . . 1.0 . . . . . . . . . . . . B . 14 GLU H . . . . . . . . . rr_1pbz 1 . 5 . 2366 . 2 1 15 GLU HA H -2.858 19.356 -6.221 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 5 . 2367 . 2 1 15 GLU HB2 H -4.412 17.619 -6.142 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2368 . 2 1 15 GLU HB3 H -4.246 17.371 -4.422 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2369 . 2 1 15 GLU HG2 H -5.610 19.591 -4.073 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 5 . 2370 . 2 1 15 GLU HG3 H -6.093 19.376 -5.753 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 5 . 2371 . 2 1 15 GLU N N -1.910 17.945 -4.890 . . . 1.0 . . . . . . . . . . . . B . 14 GLU N . . . . . . . . . rr_1pbz 1 . 5 . 2372 . 2 1 15 GLU O O -2.457 21.245 -4.623 . . . 1.0 . . . . . . . . . . . . B . 14 GLU O . . . . . . . . . rr_1pbz 1 . 5 . 2373 . 2 1 15 GLU OE1 O -7.468 17.233 -5.249 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 5 . 2374 . 2 1 15 GLU OE2 O -6.966 17.682 -3.173 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 5 . 2375 . 2 1 16 ALA C C -1.138 20.400 -1.253 . . . 1.0 . . . . . . . . . . . . B . 15 ALA C . . . . . . . . . rr_1pbz 1 . 5 . 2376 . 2 1 16 ALA CA C -2.522 20.824 -1.854 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 5 . 2377 . 2 1 16 ALA CB C -3.654 20.700 -0.840 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 5 . 2378 . 2 1 16 ALA H H -3.278 18.913 -2.695 . . . 1.0 . . . . . . . . . . . . B . 15 ALA H . . . . . . . . . rr_1pbz 1 . 5 . 2379 . 2 1 16 ALA HA H -2.473 21.870 -2.218 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 5 . 2380 . 2 1 16 ALA HB1 H -3.710 19.663 -0.452 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 5 . 2381 . 2 1 16 ALA HB2 H -3.450 21.372 0.008 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2382 . 2 1 16 ALA HB3 H -4.621 20.968 -1.296 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2383 . 2 1 16 ALA N N -2.947 19.872 -2.904 . . . 1.0 . . . . . . . . . . . . B . 15 ALA N . . . . . . . . . rr_1pbz 1 . 5 . 2384 . 2 1 16 ALA O O -0.985 20.385 -0.031 . . . 1.0 . . . . . . . . . . . . B . 15 ALA O . . . . . . . . . rr_1pbz 1 . 5 . 2385 . 2 1 17 GLY C C 1.517 19.111 -0.350 . . . 1.0 . . . . . . . . . . . . B . 16 GLY C . . . . . . . . . rr_1pbz 1 . 5 . 2386 . 2 1 17 GLY CA C 1.208 19.539 -1.810 . . . 1.0 . . . . . . . . . . . . B . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 5 . 2387 . 2 1 17 GLY H H -0.720 19.730 -2.762 . . . 1.0 . . . . . . . . . . . . B . 16 GLY H . . . . . . . . . rr_1pbz 1 . 5 . 2388 . 2 1 17 GLY HA2 H 1.354 18.688 -2.516 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 5 . 2389 . 2 1 17 GLY HA3 H 2.035 20.192 -2.126 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 5 . 2390 . 2 1 17 GLY N N -0.102 20.254 -2.109 . . . 1.0 . . . . . . . . . . . . B . 16 GLY N . . . . . . . . . rr_1pbz 1 . 5 . 2391 . 2 1 17 GLY O O 2.259 19.671 0.453 . . . 1.0 . . . . . . . . . . . . B . 16 GLY O . . . . . . . . . rr_1pbz 1 . 5 . 2392 . 2 1 18 CYS C C 0.205 18.181 2.403 . . . 1.0 . . . . . . . . . . . . B . 17 CYS C . . . . . . . . . rr_1pbz 1 . 5 . 2393 . 2 1 18 CYS CA C 0.405 17.325 1.092 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 5 . 2394 . 2 1 18 CYS CB C 1.352 16.128 1.316 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 5 . 2395 . 2 1 18 CYS H H 0.321 17.850 -1.089 . . . 1.0 . . . . . . . . . . . . B . 17 CYS H . . . . . . . . . rr_1pbz 1 . 5 . 2396 . 2 1 18 CYS HA H -0.618 16.917 0.831 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 5 . 2397 . 2 1 18 CYS HB2 H 1.657 15.644 0.372 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 5 . 2398 . 2 1 18 CYS HB3 H 2.286 16.443 1.819 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 5 . 2399 . 2 1 18 CYS N N 0.769 18.026 -0.167 . . . 1.0 . . . . . . . . . . . . B . 17 CYS N . . . . . . . . . rr_1pbz 1 . 5 . 2400 . 2 1 18 CYS O O 0.915 18.087 3.402 . . . 1.0 . . . . . . . . . . . . B . 17 CYS O . . . . . . . . . rr_1pbz 1 . 5 . 2401 . 2 1 18 CYS SG S 0.486 14.908 2.327 . . . 1.0 . . . . . . . . . . . . B . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 5 . 2402 . 2 1 19 NH2 HN1 H -0.712 19.574 3.348 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 5 . 2403 . 2 1 19 NH2 HN2 H -1.059 19.410 1.566 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 5 . 2404 . 2 1 19 NH2 N N -0.791 19.033 2.485 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 5 . 2405 . 3 2 1 PC3 C C 1.765 2.405 -2.353 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C . . . . . . . . . rr_1pbz 1 . 5 . 2406 . 3 2 1 PC3 C1 C 2.782 3.343 -1.917 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C1 . . . . . . . . . rr_1pbz 1 . 5 . 2407 . 3 2 1 PC3 C10 C -3.472 0.780 -2.415 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C10 . . . . . . . . . rr_1pbz 1 . 5 . 2408 . 3 2 1 PC3 C11 C -5.694 7.430 1.554 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C11 . . . . . . . . . rr_1pbz 1 . 5 . 2409 . 3 2 1 PC3 C12 C 4.285 8.229 0.218 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C12 . . . . . . . . . rr_1pbz 1 . 5 . 2410 . 3 2 1 PC3 C14 C 1.927 1.402 -3.520 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C14 . . . . . . . . . rr_1pbz 1 . 5 . 2411 . 3 2 1 PC3 C15 C 2.047 2.073 -4.931 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C15 . . . . . . . . . rr_1pbz 1 . 5 . 2412 . 3 2 1 PC3 C16 C -5.723 2.497 -0.702 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C16 . . . . . . . . . rr_1pbz 1 . 5 . 2413 . 3 2 1 PC3 C17 C -6.136 2.468 0.802 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C17 . . . . . . . . . rr_1pbz 1 . 5 . 2414 . 3 2 1 PC3 C18 C -3.389 9.815 2.058 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C18 . . . . . . . . . rr_1pbz 1 . 5 . 2415 . 3 2 1 PC3 C19 C -2.204 10.744 1.743 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C19 . . . . . . . . . rr_1pbz 1 . 5 . 2416 . 3 2 1 PC3 C2 C 2.764 7.983 0.169 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2 . . . . . . . . . rr_1pbz 1 . 5 . 2417 . 3 2 1 PC3 C21 C 1.078 3.221 -5.231 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C21 . . . . . . . . . rr_1pbz 1 . 5 . 2418 . 3 2 1 PC3 C22 C 6.486 7.598 1.467 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C22 . . . . . . . . . rr_1pbz 1 . 5 . 2419 . 3 2 1 PC3 C23 C -2.208 12.029 2.559 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C23 . . . . . . . . . rr_1pbz 1 . 5 . 2420 . 3 2 1 PC3 C24 C -5.168 1.823 1.792 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C24 . . . . . . . . . rr_1pbz 1 . 5 . 2421 . 3 2 1 PC3 C2A C 2.052 4.436 -1.358 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2A . . . . . . . . . rr_1pbz 1 . 5 . 2422 . 3 2 1 PC3 C2C C 0.536 3.007 -1.919 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2C . . . . . . . . . rr_1pbz 1 . 5 . 2423 . 3 2 1 PC3 C3 C 1.735 8.874 0.674 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C3 . . . . . . . . . rr_1pbz 1 . 5 . 2424 . 3 2 1 PC3 C4 C -3.252 8.493 1.345 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4 . . . . . . . . . rr_1pbz 1 . 5 . 2425 . 3 2 1 PC3 C4A C 0.519 8.146 0.503 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4A . . . . . . . . . rr_1pbz 1 . 5 . 2426 . 3 2 1 PC3 C4C C 2.045 6.827 -0.278 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4C . . . . . . . . . rr_1pbz 1 . 5 . 2427 . 3 2 1 PC3 C5 C -4.241 7.470 1.130 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C5 . . . . . . . . . rr_1pbz 1 . 5 . 2428 . 3 2 1 PC3 C6 C -4.273 2.919 -1.045 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6 . . . . . . . . . rr_1pbz 1 . 5 . 2429 . 3 2 1 PC3 C6A C -3.545 6.444 0.463 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6A . . . . . . . . . rr_1pbz 1 . 5 . 2430 . 3 2 1 PC3 C6C C -2.056 7.948 0.842 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6C . . . . . . . . . rr_1pbz 1 . 5 . 2431 . 3 2 1 PC3 C7 C -3.275 2.128 -1.739 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C7 . . . . . . . . . rr_1pbz 1 . 5 . 2432 . 3 2 1 PC3 C8 C 1.959 10.255 1.306 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8 . . . . . . . . . rr_1pbz 1 . 5 . 2433 . 3 2 1 PC3 C8A C -2.066 2.865 -1.613 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8A . . . . . . . . . rr_1pbz 1 . 5 . 2434 . 3 2 1 PC3 C8C C -3.566 4.096 -0.662 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8C . . . . . . . . . rr_1pbz 1 . 5 . 2435 . 3 2 1 PC3 C9 C 4.279 3.264 -2.218 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C9 . . . . . . . . . rr_1pbz 1 . 5 . 2436 . 3 2 1 PC3 CA C 2.657 5.660 -0.878 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CA . . . . . . . . . rr_1pbz 1 . 5 . 2437 . 3 2 1 PC3 CB C -0.787 8.627 0.900 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CB . . . . . . . . . rr_1pbz 1 . 5 . 2438 . 3 2 1 PC3 CC C -4.167 5.234 -0.001 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CC . . . . . . . . . rr_1pbz 1 . 5 . 2439 . 3 2 1 PC3 CD C -0.775 2.416 -2.096 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CD . . . . . . . . . rr_1pbz 1 . 5 . 2440 . 3 2 1 PC3 CO3 Co -0.778 5.472 -0.552 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CO3 . . . . . . . . . rr_1pbz 1 . 5 . 2441 . 3 2 1 PC3 CX5 C 5.044 7.233 1.131 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CX5 . . . . . . . . . rr_1pbz 1 . 5 . 2442 . 3 2 1 PC3 H101 H -4.525 0.619 -2.703 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H101 . . . . . . . . . rr_1pbz 1 . 5 . 2443 . 3 2 1 PC3 H102 H -3.178 -0.056 -1.751 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H102 . . . . . . . . . rr_1pbz 1 . 5 . 2444 . 3 2 1 PC3 H103 H -2.878 0.687 -3.344 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H103 . . . . . . . . . rr_1pbz 1 . 5 . 2445 . 3 2 1 PC3 H111 H -5.906 6.559 2.202 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H111 . . . . . . . . . rr_1pbz 1 . 5 . 2446 . 3 2 1 PC3 H112 H -6.380 7.334 0.689 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H112 . . . . . . . . . rr_1pbz 1 . 5 . 2447 . 3 2 1 PC3 H113 H -5.995 8.336 2.110 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H113 . . . . . . . . . rr_1pbz 1 . 5 . 2448 . 3 2 1 PC3 H121 H 4.720 8.208 -0.800 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H121 . . . . . . . . . rr_1pbz 1 . 5 . 2449 . 3 2 1 PC3 H122 H 4.488 9.258 0.578 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H122 . . . . . . . . . rr_1pbz 1 . 5 . 2450 . 3 2 1 PC3 H141 H 2.813 0.763 -3.347 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H141 . . . . . . . . . rr_1pbz 1 . 5 . 2451 . 3 2 1 PC3 H142 H 1.081 0.691 -3.544 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H142 . . . . . . . . . rr_1pbz 1 . 5 . 2452 . 3 2 1 PC3 H151 H 1.925 1.315 -5.726 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H151 . . . . . . . . . rr_1pbz 1 . 5 . 2453 . 3 2 1 PC3 H152 H 3.070 2.467 -5.072 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H152 . . . . . . . . . rr_1pbz 1 . 5 . 2454 . 3 2 1 PC3 H161 H -5.928 1.497 -1.118 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H161 . . . . . . . . . rr_1pbz 1 . 5 . 2455 . 3 2 1 PC3 H162 H -6.425 3.164 -1.239 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H162 . . . . . . . . . rr_1pbz 1 . 5 . 2456 . 3 2 1 PC3 H171 H -6.345 3.490 1.162 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H171 . . . . . . . . . rr_1pbz 1 . 5 . 2457 . 3 2 1 PC3 H172 H -7.108 1.953 0.905 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H172 . . . . . . . . . rr_1pbz 1 . 5 . 2458 . 3 2 1 PC3 H181 H -4.338 10.309 1.775 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H181 . . . . . . . . . rr_1pbz 1 . 5 . 2459 . 3 2 1 PC3 H182 H -3.462 9.646 3.150 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H182 . . . . . . . . . rr_1pbz 1 . 5 . 2460 . 3 2 1 PC3 H191 H -2.196 11.033 0.678 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H191 . . . . . . . . . rr_1pbz 1 . 5 . 2461 . 3 2 1 PC3 H192 H -1.251 10.227 1.942 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H192 . . . . . . . . . rr_1pbz 1 . 5 . 2462 . 3 2 1 PC3 H221 H 4.513 7.093 2.085 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H221 . . . . . . . . . rr_1pbz 1 . 5 . 2463 . 3 2 1 PC3 H222 H 5.070 6.231 0.674 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H222 . . . . . . . . . rr_1pbz 1 . 5 . 2464 . 3 2 1 PC3 H81 H 2.409 10.965 0.586 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H81 . . . . . . . . . rr_1pbz 1 . 5 . 2465 . 3 2 1 PC3 H82 H 2.656 10.196 2.164 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H82 . . . . . . . . . rr_1pbz 1 . 5 . 2466 . 3 2 1 PC3 H83 H 1.042 10.738 1.692 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H83 . . . . . . . . . rr_1pbz 1 . 5 . 2467 . 3 2 1 PC3 H91 H 4.603 2.234 -2.456 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H91 . . . . . . . . . rr_1pbz 1 . 5 . 2468 . 3 2 1 PC3 H92 H 4.542 3.888 -3.094 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H92 . . . . . . . . . rr_1pbz 1 . 5 . 2469 . 3 2 1 PC3 H93 H 4.902 3.605 -1.370 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H93 . . . . . . . . . rr_1pbz 1 . 5 . 2470 . 3 2 1 PC3 HA H 3.732 5.717 -1.006 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HA . . . . . . . . . rr_1pbz 1 . 5 . 2471 . 3 2 1 PC3 HB H -0.814 9.613 1.350 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HB . . . . . . . . . rr_1pbz 1 . 5 . 2472 . 3 2 1 PC3 HC H -5.230 5.157 0.191 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HC . . . . . . . . . rr_1pbz 1 . 5 . 2473 . 3 2 1 PC3 HD H -0.783 1.466 -2.616 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HD . . . . . . . . . rr_1pbz 1 . 5 . 2474 . 3 2 1 PC3 N2B N 0.688 4.238 -1.311 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N2B . . . . . . . . . rr_1pbz 1 . 5 . 2475 . 3 2 1 PC3 N4B N 0.678 6.903 -0.088 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N4B . . . . . . . . . rr_1pbz 1 . 5 . 2476 . 3 2 1 PC3 N6B N -2.202 6.694 0.291 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N6B . . . . . . . . . rr_1pbz 1 . 5 . 2477 . 3 2 1 PC3 N8B N -2.219 4.072 -0.973 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N8B . . . . . . . . . rr_1pbz 1 . 5 . 2478 . 3 2 1 PC3 O1 O 1.468 4.383 -4.983 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O1 . . . . . . . . . rr_1pbz 1 . 5 . 2479 . 3 2 1 PC3 O2 O -0.133 2.975 -5.414 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O2 . . . . . . . . . rr_1pbz 1 . 5 . 2480 . 3 2 1 PC3 O22 O 7.369 6.752 1.223 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O22 . . . . . . . . . rr_1pbz 1 . 5 . 2481 . 3 2 1 PC3 O23 O -3.218 12.762 2.504 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O23 . . . . . . . . . rr_1pbz 1 . 5 . 2482 . 3 2 1 PC3 O3 O 6.744 8.671 2.046 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O3 . . . . . . . . . rr_1pbz 1 . 5 . 2483 . 3 2 1 PC3 O4 O -1.206 12.285 3.251 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O4 . . . . . . . . . rr_1pbz 1 . 5 . 2484 . 3 2 1 PC3 O5 O -5.283 0.613 2.073 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O5 . . . . . . . . . rr_1pbz 1 . 5 . 2485 . 3 2 1 PC3 O6 O -4.200 2.515 2.191 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O6 . . . . . . . . . rr_1pbz 1 . 6 . 2486 . 1 1 2 CYS C C -3.339 -2.446 1.328 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . rr_1pbz 1 . 6 . 2487 . 1 1 2 CYS CA C -2.915 -2.752 -0.159 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 6 . 2488 . 1 1 2 CYS CB C -4.072 -3.315 -1.023 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 6 . 2489 . 1 1 2 CYS H H -1.853 -4.745 -0.429 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H . . . . . . . . . rr_1pbz 1 . 6 . 2490 . 1 1 2 CYS HA H -2.697 -1.719 -0.560 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 6 . 2491 . 1 1 2 CYS HB2 H -4.358 -4.339 -0.719 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2492 . 1 1 2 CYS HB3 H -4.984 -2.699 -0.913 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2493 . 1 1 2 CYS N N -1.771 -3.712 -0.358 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . rr_1pbz 1 . 6 . 2494 . 1 1 2 CYS O O -4.041 -1.448 1.512 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . rr_1pbz 1 . 6 . 2495 . 1 1 2 CYS SG S -3.643 -3.331 -2.784 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 6 . 2496 . 1 1 3 GLY C C -2.230 -2.647 4.778 . . . 1.0 . . . . . . . . . . . . A . 2 GLY C . . . . . . . . . rr_1pbz 1 . 6 . 2497 . 1 1 3 GLY CA C -3.372 -2.942 3.780 . . . 1.0 . . . . . . . . . . . . A . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 6 . 2498 . 1 1 3 GLY H H -2.176 -3.869 2.180 . . . 1.0 . . . . . . . . . . . . A . 2 GLY H . . . . . . . . . rr_1pbz 1 . 6 . 2499 . 1 1 3 GLY HA2 H -4.084 -2.092 3.830 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 6 . 2500 . 1 1 3 GLY HA3 H -3.969 -3.801 4.134 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 6 . 2501 . 1 1 3 GLY N N -2.928 -3.200 2.379 . . . 1.0 . . . . . . . . . . . . A . 2 GLY N . . . . . . . . . rr_1pbz 1 . 6 . 2502 . 1 1 3 GLY O O -2.019 -1.486 5.119 . . . 1.0 . . . . . . . . . . . . A . 2 GLY O . . . . . . . . . rr_1pbz 1 . 6 . 2503 . 1 1 4 ALA C C 0.992 -2.974 5.661 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . rr_1pbz 1 . 6 . 2504 . 1 1 4 ALA CA C -0.382 -3.435 6.248 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 6 . 2505 . 1 1 4 ALA CB C -0.275 -4.725 7.046 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 6 . 2506 . 1 1 4 ALA H H -1.682 -4.604 4.931 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . rr_1pbz 1 . 6 . 2507 . 1 1 4 ALA HA H -0.685 -2.640 6.962 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 6 . 2508 . 1 1 4 ALA HB1 H -1.240 -4.966 7.529 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 6 . 2509 . 1 1 4 ALA HB2 H 0.480 -4.608 7.842 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2510 . 1 1 4 ALA HB3 H 0.025 -5.568 6.397 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2511 . 1 1 4 ALA N N -1.495 -3.659 5.278 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . rr_1pbz 1 . 6 . 2512 . 1 1 4 ALA O O 1.696 -2.185 6.296 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . rr_1pbz 1 . 6 . 2513 . 1 1 5 GLU C C 2.264 -1.400 3.253 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . rr_1pbz 1 . 6 . 2514 . 1 1 5 GLU CA C 2.545 -2.875 3.721 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 6 . 2515 . 1 1 5 GLU CB C 2.838 -3.796 2.547 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 6 . 2516 . 1 1 5 GLU CD C 3.688 -6.054 1.708 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 6 . 2517 . 1 1 5 GLU CG C 3.452 -5.174 2.905 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 6 . 2518 . 1 1 5 GLU H H 0.942 -4.310 4.136 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . rr_1pbz 1 . 6 . 2519 . 1 1 5 GLU HA H 3.458 -2.874 4.323 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 6 . 2520 . 1 1 5 GLU HB2 H 1.896 -3.907 1.980 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2521 . 1 1 5 GLU HB3 H 3.539 -3.244 1.900 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2522 . 1 1 5 GLU HG2 H 4.420 -5.064 3.418 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 6 . 2523 . 1 1 5 GLU HG3 H 2.799 -5.753 3.578 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 6 . 2524 . 1 1 5 GLU N N 1.412 -3.470 4.489 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . rr_1pbz 1 . 6 . 2525 . 1 1 5 GLU O O 3.107 -0.512 3.412 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . rr_1pbz 1 . 6 . 2526 . 1 1 5 GLU OE1 O 2.701 -6.585 1.159 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 6 . 2527 . 1 1 5 GLU OE2 O 4.863 -6.251 1.343 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 6 . 2528 . 1 1 6 ALA C C 0.548 1.080 3.828 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . rr_1pbz 1 . 6 . 2529 . 1 1 6 ALA CA C 0.525 0.235 2.521 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 6 . 2530 . 1 1 6 ALA CB C -0.928 0.084 2.050 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 6 . 2531 . 1 1 6 ALA H H 0.475 -2.003 2.721 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . rr_1pbz 1 . 6 . 2532 . 1 1 6 ALA HA H 1.121 0.811 1.755 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 6 . 2533 . 1 1 6 ALA HB1 H -1.430 1.053 1.940 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 6 . 2534 . 1 1 6 ALA HB2 H -1.531 -0.488 2.785 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2535 . 1 1 6 ALA HB3 H -1.000 -0.446 1.092 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2536 . 1 1 6 ALA N N 1.047 -1.143 2.732 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . rr_1pbz 1 . 6 . 2537 . 1 1 6 ALA O O 1.112 2.162 3.765 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . rr_1pbz 1 . 6 . 2538 . 1 1 7 ALA C C 1.699 1.555 6.743 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_1pbz 1 . 6 . 2539 . 1 1 7 ALA CA C 0.213 1.296 6.290 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 6 . 2540 . 1 1 7 ALA CB C -0.404 0.343 7.297 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 6 . 2541 . 1 1 7 ALA H H -0.403 -0.331 4.925 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_1pbz 1 . 6 . 2542 . 1 1 7 ALA HA H -0.393 2.246 6.326 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 6 . 2543 . 1 1 7 ALA HB1 H -1.451 0.114 7.047 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 6 . 2544 . 1 1 7 ALA HB2 H 0.172 -0.598 7.330 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2545 . 1 1 7 ALA HB3 H -0.352 0.788 8.303 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2546 . 1 1 7 ALA N N 0.011 0.623 4.977 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_1pbz 1 . 6 . 2547 . 1 1 7 ALA O O 1.977 2.647 7.240 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_1pbz 1 . 6 . 2548 . 1 1 8 LYS C C 4.689 1.981 5.869 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1pbz 1 . 6 . 2549 . 1 1 8 LYS CA C 4.104 0.827 6.764 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 6 . 2550 . 1 1 8 LYS CB C 4.764 -0.561 6.512 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 6 . 2551 . 1 1 8 LYS CD C 6.960 -1.860 6.042 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 6 . 2552 . 1 1 8 LYS CE C 6.396 -3.284 6.251 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 6 . 2553 . 1 1 8 LYS CG C 6.282 -0.684 6.794 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 6 . 2554 . 1 1 8 LYS H H 2.279 -0.316 6.182 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1pbz 1 . 6 . 2555 . 1 1 8 LYS HA H 4.268 1.158 7.816 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 6 . 2556 . 1 1 8 LYS HB2 H 4.231 -1.337 7.096 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2557 . 1 1 8 LYS HB3 H 4.573 -0.831 5.453 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2558 . 1 1 8 LYS HD2 H 6.902 -1.632 4.956 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 6 . 2559 . 1 1 8 LYS HD3 H 8.051 -1.840 6.243 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 6 . 2560 . 1 1 8 LYS HE2 H 5.309 -3.309 5.998 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 6 . 2561 . 1 1 8 LYS HE3 H 6.852 -3.975 5.501 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 6 . 2562 . 1 1 8 LYS HG2 H 6.790 0.251 6.477 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 6 . 2563 . 1 1 8 LYS HG3 H 6.467 -0.728 7.885 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 6 . 2564 . 1 1 8 LYS HZ1 H 6.297 -4.698 7.838 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 6 . 2565 . 1 1 8 LYS HZ2 H 7.656 -3.768 7.875 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 6 . 2566 . 1 1 8 LYS HZ3 H 6.223 -3.132 8.343 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 6 . 2567 . 1 1 8 LYS N N 2.636 0.585 6.572 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1pbz 1 . 6 . 2568 . 1 1 8 LYS NZ N 6.654 -3.751 7.644 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 6 . 2569 . 1 1 8 LYS O O 5.390 2.864 6.371 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1pbz 1 . 6 . 2570 . 1 1 9 ALA C C 3.878 4.457 4.038 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_1pbz 1 . 6 . 2571 . 1 1 9 ALA CA C 4.626 3.125 3.660 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 6 . 2572 . 1 1 9 ALA CB C 4.151 2.654 2.301 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 6 . 2573 . 1 1 9 ALA H H 3.861 1.143 4.254 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_1pbz 1 . 6 . 2574 . 1 1 9 ALA HA H 5.711 3.299 3.526 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 6 . 2575 . 1 1 9 ALA HB1 H 4.368 3.445 1.568 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 6 . 2576 . 1 1 9 ALA HB2 H 4.686 1.739 2.001 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2577 . 1 1 9 ALA HB3 H 3.066 2.464 2.309 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2578 . 1 1 9 ALA N N 4.386 1.973 4.562 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_1pbz 1 . 6 . 2579 . 1 1 9 ALA O O 4.437 5.533 3.873 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_1pbz 1 . 6 . 2580 . 1 1 10 HIS C C 2.568 6.154 6.385 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_1pbz 1 . 6 . 2581 . 1 1 10 HIS CA C 1.872 5.535 5.117 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 6 . 2582 . 1 1 10 HIS CB C 0.397 5.038 5.191 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 6 . 2583 . 1 1 10 HIS CD2 C -0.102 5.070 2.603 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 6 . 2584 . 1 1 10 HIS CE1 C -1.829 3.740 2.512 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 6 . 2585 . 1 1 10 HIS CG C -0.378 4.659 3.893 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 6 . 2586 . 1 1 10 HIS H H 2.218 3.424 4.529 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_1pbz 1 . 6 . 2587 . 1 1 10 HIS HA H 1.900 6.415 4.456 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 6 . 2588 . 1 1 10 HIS HB2 H 0.399 4.166 5.866 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2589 . 1 1 10 HIS HB3 H -0.184 5.805 5.720 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2590 . 1 1 10 HIS HD1 H -1.902 3.291 4.679 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 6 . 2591 . 1 1 10 HIS HD2 H 0.711 5.673 2.242 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 6 . 2592 . 1 1 10 HIS HE1 H -2.644 3.115 2.151 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 6 . 2593 . 1 1 10 HIS N N 2.619 4.385 4.517 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_1pbz 1 . 6 . 2594 . 1 1 10 HIS ND1 N -1.446 3.742 3.876 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 6 . 2595 . 1 1 10 HIS NE2 N -1.051 4.584 1.790 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 6 . 2596 . 1 1 10 HIS O O 2.842 7.356 6.344 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_1pbz 1 . 6 . 2597 . 1 1 11 ALA C C 5.233 6.460 7.997 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_1pbz 1 . 6 . 2598 . 1 1 11 ALA CA C 3.863 5.862 8.499 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 6 . 2599 . 1 1 11 ALA CB C 4.062 4.584 9.350 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 6 . 2600 . 1 1 11 ALA H H 2.239 4.705 7.780 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_1pbz 1 . 6 . 2601 . 1 1 11 ALA HA H 3.375 6.645 9.104 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 6 . 2602 . 1 1 11 ALA HB1 H 4.516 3.762 8.758 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 6 . 2603 . 1 1 11 ALA HB2 H 4.745 4.764 10.199 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2604 . 1 1 11 ALA HB3 H 3.116 4.188 9.765 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2605 . 1 1 11 ALA N N 2.925 5.394 7.445 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_1pbz 1 . 6 . 2606 . 1 1 11 ALA O O 5.599 7.579 8.383 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_1pbz 1 . 6 . 2607 . 1 1 12 LYS C C 7.039 7.622 5.695 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_1pbz 1 . 6 . 2608 . 1 1 12 LYS CA C 7.197 6.259 6.458 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 6 . 2609 . 1 1 12 LYS CB C 7.790 5.093 5.611 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 6 . 2610 . 1 1 12 LYS CD C 10.308 5.809 5.712 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 6 . 2611 . 1 1 12 LYS CE C 10.817 7.215 5.332 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 6 . 2612 . 1 1 12 LYS CG C 9.111 5.352 4.838 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 6 . 2613 . 1 1 12 LYS H H 5.363 4.982 6.680 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_1pbz 1 . 6 . 2614 . 1 1 12 LYS HA H 7.909 6.478 7.279 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 6 . 2615 . 1 1 12 LYS HB2 H 7.930 4.211 6.267 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2616 . 1 1 12 LYS HB3 H 7.027 4.772 4.876 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2617 . 1 1 12 LYS HD2 H 10.026 5.773 6.786 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 6 . 2618 . 1 1 12 LYS HD3 H 11.132 5.074 5.630 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 6 . 2619 . 1 1 12 LYS HE2 H 11.329 7.205 4.345 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 6 . 2620 . 1 1 12 LYS HE3 H 9.964 7.914 5.190 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 6 . 2621 . 1 1 12 LYS HG2 H 9.387 4.423 4.300 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 6 . 2622 . 1 1 12 LYS HG3 H 8.903 6.069 4.015 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 6 . 2623 . 1 1 12 LYS HZ1 H 11.191 7.726 7.344 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 6 . 2624 . 1 1 12 LYS HZ2 H 12.566 7.231 6.612 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 6 . 2625 . 1 1 12 LYS HZ3 H 11.877 8.744 6.424 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 6 . 2626 . 1 1 12 LYS N N 5.944 5.737 7.099 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_1pbz 1 . 6 . 2627 . 1 1 12 LYS NZ N 11.694 7.727 6.416 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 6 . 2628 . 1 1 12 LYS O O 7.817 8.555 5.918 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_1pbz 1 . 6 . 2629 . 1 1 13 ALA C C 5.205 10.069 5.327 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . rr_1pbz 1 . 6 . 2630 . 1 1 13 ALA CA C 5.582 9.012 4.233 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 6 . 2631 . 1 1 13 ALA CB C 4.483 8.685 3.211 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 6 . 2632 . 1 1 13 ALA H H 5.561 6.846 4.610 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . rr_1pbz 1 . 6 . 2633 . 1 1 13 ALA HA H 6.431 9.428 3.658 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 6 . 2634 . 1 1 13 ALA HB1 H 3.603 8.205 3.673 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 6 . 2635 . 1 1 13 ALA HB2 H 4.858 8.026 2.403 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2636 . 1 1 13 ALA HB3 H 4.144 9.614 2.722 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2637 . 1 1 13 ALA N N 6.022 7.734 4.830 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . rr_1pbz 1 . 6 . 2638 . 1 1 13 ALA O O 6.037 10.917 5.586 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . rr_1pbz 1 . 6 . 2639 . 1 1 14 ALA C C 4.960 11.460 8.131 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_1pbz 1 . 6 . 2640 . 1 1 14 ALA CA C 3.777 10.868 7.249 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 6 . 2641 . 1 1 14 ALA CB C 2.795 9.997 8.045 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 6 . 2642 . 1 1 14 ALA H H 3.439 9.332 5.649 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_1pbz 1 . 6 . 2643 . 1 1 14 ALA HA H 3.211 11.749 6.894 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 6 . 2644 . 1 1 14 ALA HB1 H 3.278 9.061 8.385 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 6 . 2645 . 1 1 14 ALA HB2 H 1.916 9.707 7.434 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2646 . 1 1 14 ALA HB3 H 2.416 10.528 8.931 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2647 . 1 1 14 ALA N N 4.076 10.022 6.038 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_1pbz 1 . 6 . 2648 . 1 1 14 ALA O O 4.916 12.618 8.552 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_1pbz 1 . 6 . 2649 . 1 1 15 GLU C C 8.161 11.986 7.900 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . rr_1pbz 1 . 6 . 2650 . 1 1 15 GLU CA C 7.329 11.080 8.909 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 6 . 2651 . 1 1 15 GLU CB C 8.025 9.757 9.369 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 6 . 2652 . 1 1 15 GLU CD C 10.506 9.118 8.921 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 6 . 2653 . 1 1 15 GLU CG C 9.514 9.822 9.833 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 6 . 2654 . 1 1 15 GLU H H 5.853 9.754 7.882 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . rr_1pbz 1 . 6 . 2655 . 1 1 15 GLU HA H 7.163 11.696 9.814 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 6 . 2656 . 1 1 15 GLU HB2 H 7.428 9.330 10.199 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2657 . 1 1 15 GLU HB3 H 7.933 8.988 8.574 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2658 . 1 1 15 GLU HG2 H 9.855 10.863 9.969 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 6 . 2659 . 1 1 15 GLU HG3 H 9.626 9.350 10.823 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 6 . 2660 . 1 1 15 GLU N N 6.001 10.646 8.370 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . rr_1pbz 1 . 6 . 2661 . 1 1 15 GLU O O 8.353 13.174 8.174 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . rr_1pbz 1 . 6 . 2662 . 1 1 15 GLU OE1 O 10.466 7.872 8.816 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 6 . 2663 . 1 1 15 GLU OE2 O 11.325 9.784 8.257 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 6 . 2664 . 1 1 16 ALA C C 8.337 12.854 4.565 . . . 1.0 . . . . . . . . . . . . A . 15 ALA C . . . . . . . . . rr_1pbz 1 . 6 . 2665 . 1 1 16 ALA CA C 9.303 12.276 5.675 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 6 . 2666 . 1 1 16 ALA CB C 10.456 11.405 5.134 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 6 . 2667 . 1 1 16 ALA H H 8.406 10.464 6.659 . . . 1.0 . . . . . . . . . . . . A . 15 ALA H . . . . . . . . . rr_1pbz 1 . 6 . 2668 . 1 1 16 ALA HA H 9.775 13.164 6.138 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 6 . 2669 . 1 1 16 ALA HB1 H 11.156 11.121 5.944 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 6 . 2670 . 1 1 16 ALA HB2 H 11.044 11.951 4.374 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2671 . 1 1 16 ALA HB3 H 10.085 10.477 4.664 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2672 . 1 1 16 ALA N N 8.641 11.462 6.749 . . . 1.0 . . . . . . . . . . . . A . 15 ALA N . . . . . . . . . rr_1pbz 1 . 6 . 2673 . 1 1 16 ALA O O 8.226 14.073 4.408 . . . 1.0 . . . . . . . . . . . . A . 15 ALA O . . . . . . . . . rr_1pbz 1 . 6 . 2674 . 1 1 17 GLY C C 5.201 12.824 3.532 . . . 1.0 . . . . . . . . . . . . A . 16 GLY C . . . . . . . . . rr_1pbz 1 . 6 . 2675 . 1 1 17 GLY CA C 6.526 12.358 2.879 . . . 1.0 . . . . . . . . . . . . A . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 6 . 2676 . 1 1 17 GLY H H 7.656 11.077 4.244 . . . 1.0 . . . . . . . . . . . . A . 16 GLY H . . . . . . . . . rr_1pbz 1 . 6 . 2677 . 1 1 17 GLY HA2 H 6.802 13.073 2.103 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 6 . 2678 . 1 1 17 GLY HA3 H 6.228 11.420 2.362 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 6 . 2679 . 1 1 17 GLY N N 7.676 11.988 3.773 . . . 1.0 . . . . . . . . . . . . A . 16 GLY N . . . . . . . . . rr_1pbz 1 . 6 . 2680 . 1 1 17 GLY O O 4.153 12.226 3.279 . . . 1.0 . . . . . . . . . . . . A . 16 GLY O . . . . . . . . . rr_1pbz 1 . 6 . 2681 . 1 1 18 CYS C C 2.695 14.325 4.705 . . . 1.0 . . . . . . . . . . . . A . 17 CYS C . . . . . . . . . rr_1pbz 1 . 6 . 2682 . 1 1 18 CYS CA C 4.147 14.301 5.246 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 6 . 2683 . 1 1 18 CYS CB C 4.541 15.722 5.702 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 6 . 2684 . 1 1 18 CYS H H 6.215 14.225 4.456 . . . 1.0 . . . . . . . . . . . . A . 17 CYS H . . . . . . . . . rr_1pbz 1 . 6 . 2685 . 1 1 18 CYS HA H 4.172 13.592 6.122 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 6 . 2686 . 1 1 18 CYS HB2 H 3.782 16.142 6.389 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2687 . 1 1 18 CYS HB3 H 5.466 15.673 6.310 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2688 . 1 1 18 CYS N N 5.250 13.882 4.346 . . . 1.0 . . . . . . . . . . . . A . 17 CYS N . . . . . . . . . rr_1pbz 1 . 6 . 2689 . 1 1 18 CYS O O 1.709 14.491 5.430 . . . 1.0 . . . . . . . . . . . . A . 17 CYS O . . . . . . . . . rr_1pbz 1 . 6 . 2690 . 1 1 18 CYS SG S 4.832 16.903 4.337 . . . 1.0 . . . . . . . . . . . . A . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 6 . 2691 . 1 1 19 NH2 HN1 H 3.459 14.020 2.845 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 6 . 2692 . 1 1 19 NH2 HN2 H 1.690 14.152 2.946 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 6 . 2693 . 1 1 19 NH2 N N 2.608 14.153 3.403 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 6 . 2694 . 2 1 2 CYS C C -5.723 0.459 -5.535 . . . 1.0 . . . . . . . . . . . . B . 1 CYS C . . . . . . . . . rr_1pbz 1 . 6 . 2695 . 2 1 2 CYS CA C -6.620 -0.523 -4.679 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 6 . 2696 . 2 1 2 CYS CB C -5.946 -1.894 -4.392 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 6 . 2697 . 2 1 2 CYS H H -8.226 -1.603 -5.888 . . . 1.0 . . . . . . . . . . . . B . 1 CYS H . . . . . . . . . rr_1pbz 1 . 6 . 2698 . 2 1 2 CYS HA H -6.691 -0.018 -3.679 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 6 . 2699 . 2 1 2 CYS HB2 H -6.526 -2.480 -3.652 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2700 . 2 1 2 CYS HB3 H -5.851 -2.527 -5.293 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2701 . 2 1 2 CYS N N -7.986 -0.844 -5.230 . . . 1.0 . . . . . . . . . . . . B . 1 CYS N . . . . . . . . . rr_1pbz 1 . 6 . 2702 . 2 1 2 CYS O O -4.809 1.045 -4.955 . . . 1.0 . . . . . . . . . . . . B . 1 CYS O . . . . . . . . . rr_1pbz 1 . 6 . 2703 . 2 1 2 CYS SG S -4.291 -1.664 -3.699 . . . 1.0 . . . . . . . . . . . . B . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 6 . 2704 . 2 1 3 GLY C C -5.506 2.929 -8.100 . . . 1.0 . . . . . . . . . . . . B . 2 GLY C . . . . . . . . . rr_1pbz 1 . 6 . 2705 . 2 1 3 GLY CA C -5.027 1.511 -7.701 . . . 1.0 . . . . . . . . . . . . B . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 6 . 2706 . 2 1 3 GLY H H -6.805 0.270 -7.222 . . . 1.0 . . . . . . . . . . . . B . 2 GLY H . . . . . . . . . rr_1pbz 1 . 6 . 2707 . 2 1 3 GLY HA2 H -4.030 1.623 -7.223 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 6 . 2708 . 2 1 3 GLY HA3 H -4.797 0.964 -8.633 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 6 . 2709 . 2 1 3 GLY N N -5.938 0.673 -6.855 . . . 1.0 . . . . . . . . . . . . B . 2 GLY N . . . . . . . . . rr_1pbz 1 . 6 . 2710 . 2 1 3 GLY O O -4.764 3.888 -7.914 . . . 1.0 . . . . . . . . . . . . B . 2 GLY O . . . . . . . . . rr_1pbz 1 . 6 . 2711 . 2 1 4 ALA C C -7.816 5.338 -8.002 . . . 1.0 . . . . . . . . . . . . B . 3 ALA C . . . . . . . . . rr_1pbz 1 . 6 . 2712 . 2 1 4 ALA CA C -7.216 4.426 -9.124 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 6 . 2713 . 2 1 4 ALA CB C -8.201 4.142 -10.256 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 6 . 2714 . 2 1 4 ALA H H -7.240 2.238 -8.857 . . . 1.0 . . . . . . . . . . . . B . 3 ALA H . . . . . . . . . rr_1pbz 1 . 6 . 2715 . 2 1 4 ALA HA H -6.374 5.016 -9.556 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 6 . 2716 . 2 1 4 ALA HB1 H -7.716 3.588 -11.081 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 6 . 2717 . 2 1 4 ALA HB2 H -9.067 3.556 -9.898 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2718 . 2 1 4 ALA HB3 H -8.582 5.091 -10.672 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2719 . 2 1 4 ALA N N -6.698 3.090 -8.703 . . . 1.0 . . . . . . . . . . . . B . 3 ALA N . . . . . . . . . rr_1pbz 1 . 6 . 2720 . 2 1 4 ALA O O -7.511 6.534 -7.990 . . . 1.0 . . . . . . . . . . . . B . 3 ALA O . . . . . . . . . rr_1pbz 1 . 6 . 2721 . 2 1 5 GLU C C -7.768 5.936 -4.919 . . . 1.0 . . . . . . . . . . . . B . 4 GLU C . . . . . . . . . rr_1pbz 1 . 6 . 2722 . 2 1 5 GLU CA C -9.008 5.589 -5.828 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 6 . 2723 . 2 1 5 GLU CB C -10.195 4.890 -5.123 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 6 . 2724 . 2 1 5 GLU CD C -12.091 6.610 -5.680 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 6 . 2725 . 2 1 5 GLU CG C -11.599 5.172 -5.741 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 6 . 2726 . 2 1 5 GLU H H -9.047 3.903 -7.259 . . . 1.0 . . . . . . . . . . . . B . 4 GLU H . . . . . . . . . rr_1pbz 1 . 6 . 2727 . 2 1 5 GLU HA H -9.352 6.581 -6.144 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 6 . 2728 . 2 1 5 GLU HB2 H -10.015 3.798 -5.083 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2729 . 2 1 5 GLU HB3 H -10.217 5.210 -4.065 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2730 . 2 1 5 GLU HG2 H -11.637 4.852 -6.797 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 6 . 2731 . 2 1 5 GLU HG3 H -12.366 4.573 -5.225 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 6 . 2732 . 2 1 5 GLU N N -8.650 4.827 -7.069 . . . 1.0 . . . . . . . . . . . . B . 4 GLU N . . . . . . . . . rr_1pbz 1 . 6 . 2733 . 2 1 5 GLU O O -7.678 7.043 -4.374 . . . 1.0 . . . . . . . . . . . . B . 4 GLU O . . . . . . . . . rr_1pbz 1 . 6 . 2734 . 2 1 5 GLU OE1 O -12.366 7.116 -4.576 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 6 . 2735 . 2 1 5 GLU OE2 O -12.188 7.274 -6.728 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 6 . 2736 . 2 1 6 ALA C C -4.759 6.528 -5.119 . . . 1.0 . . . . . . . . . . . . B . 5 ALA C . . . . . . . . . rr_1pbz 1 . 6 . 2737 . 2 1 6 ALA CA C -5.421 5.389 -4.291 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 6 . 2738 . 2 1 6 ALA CB C -4.472 4.194 -4.449 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 6 . 2739 . 2 1 6 ALA H H -6.965 4.219 -5.432 . . . 1.0 . . . . . . . . . . . . B . 5 ALA H . . . . . . . . . rr_1pbz 1 . 6 . 2740 . 2 1 6 ALA HA H -5.449 5.723 -3.219 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 6 . 2741 . 2 1 6 ALA HB1 H -4.409 3.879 -5.510 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 6 . 2742 . 2 1 6 ALA HB2 H -3.433 4.462 -4.202 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2743 . 2 1 6 ALA HB3 H -4.779 3.328 -3.859 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2744 . 2 1 6 ALA N N -6.770 5.028 -4.822 . . . 1.0 . . . . . . . . . . . . B . 5 ALA N . . . . . . . . . rr_1pbz 1 . 6 . 2745 . 2 1 6 ALA O O -4.294 7.480 -4.505 . . . 1.0 . . . . . . . . . . . . B . 5 ALA O . . . . . . . . . rr_1pbz 1 . 6 . 2746 . 2 1 7 ALA C C -4.593 8.948 -7.099 . . . 1.0 . . . . . . . . . . . . B . 6 ALA C . . . . . . . . . rr_1pbz 1 . 6 . 2747 . 2 1 7 ALA CA C -4.032 7.473 -7.288 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 6 . 2748 . 2 1 7 ALA CB C -4.223 7.028 -8.730 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 6 . 2749 . 2 1 7 ALA H H -5.111 5.618 -6.919 . . . 1.0 . . . . . . . . . . . . B . 6 ALA H . . . . . . . . . rr_1pbz 1 . 6 . 2750 . 2 1 7 ALA HA H -2.960 7.314 -7.033 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 6 . 2751 . 2 1 7 ALA HB1 H -3.825 6.013 -8.888 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 6 . 2752 . 2 1 7 ALA HB2 H -5.295 7.036 -9.001 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2753 . 2 1 7 ALA HB3 H -3.704 7.728 -9.403 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2754 . 2 1 7 ALA N N -4.695 6.450 -6.466 . . . 1.0 . . . . . . . . . . . . B . 6 ALA N . . . . . . . . . rr_1pbz 1 . 6 . 2755 . 2 1 7 ALA O O -3.849 9.906 -6.887 . . . 1.0 . . . . . . . . . . . . B . 6 ALA O . . . . . . . . . rr_1pbz 1 . 6 . 2756 . 2 1 8 LYS C C -6.441 10.785 -5.288 . . . 1.0 . . . . . . . . . . . . B . 7 LYS C . . . . . . . . . rr_1pbz 1 . 6 . 2757 . 2 1 8 LYS CA C -6.728 10.278 -6.749 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 6 . 2758 . 2 1 8 LYS CB C -8.187 9.810 -7.030 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 6 . 2759 . 2 1 8 LYS CD C -10.675 10.233 -7.313 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 6 . 2760 . 2 1 8 LYS CE C -11.968 10.638 -6.583 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 6 . 2761 . 2 1 8 LYS CG C -9.351 10.770 -6.704 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 6 . 2762 . 2 1 8 LYS H H -6.393 8.184 -7.401 . . . 1.0 . . . . . . . . . . . . B . 7 LYS H . . . . . . . . . rr_1pbz 1 . 6 . 2763 . 2 1 8 LYS HA H -6.467 11.122 -7.430 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 6 . 2764 . 2 1 8 LYS HB2 H -8.258 9.524 -8.100 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2765 . 2 1 8 LYS HB3 H -8.381 8.866 -6.476 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2766 . 2 1 8 LYS HD2 H -10.728 10.568 -8.369 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 6 . 2767 . 2 1 8 LYS HD3 H -10.655 9.125 -7.417 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 6 . 2768 . 2 1 8 LYS HE2 H -11.960 11.719 -6.317 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 6 . 2769 . 2 1 8 LYS HE3 H -12.824 10.510 -7.284 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 6 . 2770 . 2 1 8 LYS HG2 H -9.416 10.881 -5.602 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 6 . 2771 . 2 1 8 LYS HG3 H -9.135 11.788 -7.085 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 6 . 2772 . 2 1 8 LYS HZ1 H -11.366 9.708 -4.741 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 6 . 2773 . 2 1 8 LYS HZ2 H -13.012 9.867 -4.842 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 6 . 2774 . 2 1 8 LYS HZ3 H -12.214 8.741 -5.669 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 6 . 2775 . 2 1 8 LYS N N -5.937 9.071 -7.141 . . . 1.0 . . . . . . . . . . . . B . 7 LYS N . . . . . . . . . rr_1pbz 1 . 6 . 2776 . 2 1 8 LYS NZ N -12.155 9.757 -5.394 . . . 1.0 . . . . . . . . . . . . B . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 6 . 2777 . 2 1 8 LYS O O -6.159 11.972 -5.101 . . . 1.0 . . . . . . . . . . . . B . 7 LYS O . . . . . . . . . rr_1pbz 1 . 6 . 2778 . 2 1 9 ALA C C -4.427 10.734 -2.872 . . . 1.0 . . . . . . . . . . . . B . 8 ALA C . . . . . . . . . rr_1pbz 1 . 6 . 2779 . 2 1 9 ALA CA C -5.922 10.260 -2.906 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 6 . 2780 . 2 1 9 ALA CB C -5.923 8.988 -2.068 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 6 . 2781 . 2 1 9 ALA H H -6.786 8.962 -4.482 . . . 1.0 . . . . . . . . . . . . B . 8 ALA H . . . . . . . . . rr_1pbz 1 . 6 . 2782 . 2 1 9 ALA HA H -6.591 10.980 -2.393 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 6 . 2783 . 2 1 9 ALA HB1 H -5.571 9.232 -1.049 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 6 . 2784 . 2 1 9 ALA HB2 H -6.921 8.539 -2.030 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2785 . 2 1 9 ALA HB3 H -5.212 8.252 -2.482 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2786 . 2 1 9 ALA N N -6.466 9.914 -4.251 . . . 1.0 . . . . . . . . . . . . B . 8 ALA N . . . . . . . . . rr_1pbz 1 . 6 . 2787 . 2 1 9 ALA O O -4.056 11.566 -2.048 . . . 1.0 . . . . . . . . . . . . B . 8 ALA O . . . . . . . . . rr_1pbz 1 . 6 . 2788 . 2 1 10 HIS C C -1.874 11.878 -4.322 . . . 1.0 . . . . . . . . . . . . B . 9 HIS C . . . . . . . . . rr_1pbz 1 . 6 . 2789 . 2 1 10 HIS CA C -2.117 10.421 -3.795 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 6 . 2790 . 2 1 10 HIS CB C -1.510 9.221 -4.572 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 6 . 2791 . 2 1 10 HIS CD2 C -1.790 7.529 -2.573 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 6 . 2792 . 2 1 10 HIS CE1 C -1.162 5.704 -3.593 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 6 . 2793 . 2 1 10 HIS CG C -1.492 7.835 -3.892 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 6 . 2794 . 2 1 10 HIS H H -4.039 9.585 -4.469 . . . 1.0 . . . . . . . . . . . . B . 9 HIS H . . . . . . . . . rr_1pbz 1 . 6 . 2795 . 2 1 10 HIS HA H -1.672 10.405 -2.781 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 6 . 2796 . 2 1 10 HIS HB2 H -2.030 9.116 -5.539 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2797 . 2 1 10 HIS HB3 H -0.475 9.479 -4.838 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2798 . 2 1 10 HIS HD1 H -0.945 6.573 -5.604 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 6 . 2799 . 2 1 10 HIS HD2 H -2.235 8.218 -1.847 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 6 . 2800 . 2 1 10 HIS HE1 H -0.955 4.679 -3.840 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 6 . 2801 . 2 1 10 HIS N N -3.568 10.115 -3.705 . . . 1.0 . . . . . . . . . . . . B . 9 HIS N . . . . . . . . . rr_1pbz 1 . 6 . 2802 . 2 1 10 HIS ND1 N -1.188 6.678 -4.609 . . . 1.0 . . . . . . . . . . . . B . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 6 . 2803 . 2 1 10 HIS NE2 N -1.437 6.239 -2.381 . . . 1.0 . . . . . . . . . . . . B . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 6 . 2804 . 2 1 10 HIS O O -1.195 12.643 -3.638 . . . 1.0 . . . . . . . . . . . . B . 9 HIS O . . . . . . . . . rr_1pbz 1 . 6 . 2805 . 2 1 11 ALA C C -3.244 14.667 -4.872 . . . 1.0 . . . . . . . . . . . . B . 10 ALA C . . . . . . . . . rr_1pbz 1 . 6 . 2806 . 2 1 11 ALA CA C -2.627 13.661 -5.915 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 6 . 2807 . 2 1 11 ALA CB C -3.519 13.499 -7.174 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 6 . 2808 . 2 1 11 ALA H H -2.731 11.511 -6.113 . . . 1.0 . . . . . . . . . . . . B . 10 ALA H . . . . . . . . . rr_1pbz 1 . 6 . 2809 . 2 1 11 ALA HA H -1.640 14.058 -6.203 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 6 . 2810 . 2 1 11 ALA HB1 H -3.074 12.840 -7.944 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 6 . 2811 . 2 1 11 ALA HB2 H -4.512 13.066 -6.929 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2812 . 2 1 11 ALA HB3 H -3.725 14.471 -7.655 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2813 . 2 1 11 ALA N N -2.493 12.257 -5.455 . . . 1.0 . . . . . . . . . . . . B . 10 ALA N . . . . . . . . . rr_1pbz 1 . 6 . 2814 . 2 1 11 ALA O O -2.624 15.691 -4.554 . . . 1.0 . . . . . . . . . . . . B . 10 ALA O . . . . . . . . . rr_1pbz 1 . 6 . 2815 . 2 1 12 LYS C C -4.201 15.483 -1.994 . . . 1.0 . . . . . . . . . . . . B . 11 LYS C . . . . . . . . . rr_1pbz 1 . 6 . 2816 . 2 1 12 LYS CA C -5.081 15.224 -3.267 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 6 . 2817 . 2 1 12 LYS CB C -6.480 14.629 -2.908 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 6 . 2818 . 2 1 12 LYS CD C -7.319 16.613 -1.316 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 6 . 2819 . 2 1 12 LYS CE C -6.873 16.081 0.059 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 6 . 2820 . 2 1 12 LYS CG C -7.593 15.625 -2.477 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 6 . 2821 . 2 1 12 LYS H H -4.642 13.327 -4.414 . . . 1.0 . . . . . . . . . . . . B . 11 LYS H . . . . . . . . . rr_1pbz 1 . 6 . 2822 . 2 1 12 LYS HA H -5.236 16.221 -3.734 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 6 . 2823 . 2 1 12 LYS HB2 H -6.881 14.096 -3.792 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2824 . 2 1 12 LYS HB3 H -6.354 13.828 -2.154 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2825 . 2 1 12 LYS HD2 H -6.523 17.300 -1.666 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 6 . 2826 . 2 1 12 LYS HD3 H -8.176 17.308 -1.209 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 6 . 2827 . 2 1 12 LYS HE2 H -5.969 15.443 -0.042 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 6 . 2828 . 2 1 12 LYS HE3 H -6.508 16.947 0.660 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 6 . 2829 . 2 1 12 LYS HG2 H -7.831 16.249 -3.365 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 6 . 2830 . 2 1 12 LYS HG3 H -8.530 15.069 -2.286 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 6 . 2831 . 2 1 12 LYS HZ1 H -7.687 14.945 1.645 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 6 . 2832 . 2 1 12 LYS HZ2 H -8.317 14.575 0.169 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 6 . 2833 . 2 1 12 LYS HZ3 H -8.781 15.959 0.925 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 6 . 2834 . 2 1 12 LYS N N -4.429 14.340 -4.298 . . . 1.0 . . . . . . . . . . . . B . 11 LYS N . . . . . . . . . rr_1pbz 1 . 6 . 2835 . 2 1 12 LYS NZ N -7.972 15.353 0.744 . . . 1.0 . . . . . . . . . . . . B . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 6 . 2836 . 2 1 12 LYS O O -4.117 16.596 -1.472 . . . 1.0 . . . . . . . . . . . . B . 11 LYS O . . . . . . . . . rr_1pbz 1 . 6 . 2837 . 2 1 13 ALA C C -1.278 15.360 -0.889 . . . 1.0 . . . . . . . . . . . . B . 12 ALA C . . . . . . . . . rr_1pbz 1 . 6 . 2838 . 2 1 13 ALA CA C -2.534 14.553 -0.426 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 6 . 2839 . 2 1 13 ALA CB C -2.263 13.140 0.053 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 6 . 2840 . 2 1 13 ALA H H -3.726 13.553 -1.973 . . . 1.0 . . . . . . . . . . . . B . 12 ALA H . . . . . . . . . rr_1pbz 1 . 6 . 2841 . 2 1 13 ALA HA H -2.976 15.097 0.426 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 6 . 2842 . 2 1 13 ALA HB1 H -1.828 12.497 -0.734 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 6 . 2843 . 2 1 13 ALA HB2 H -3.179 12.650 0.438 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2844 . 2 1 13 ALA HB3 H -1.553 13.182 0.894 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2845 . 2 1 13 ALA N N -3.575 14.428 -1.459 . . . 1.0 . . . . . . . . . . . . B . 12 ALA N . . . . . . . . . rr_1pbz 1 . 6 . 2846 . 2 1 13 ALA O O -1.056 16.433 -0.361 . . . 1.0 . . . . . . . . . . . . B . 12 ALA O . . . . . . . . . rr_1pbz 1 . 6 . 2847 . 2 1 14 ALA C C 0.284 17.380 -2.657 . . . 1.0 . . . . . . . . . . . . B . 13 ALA C . . . . . . . . . rr_1pbz 1 . 6 . 2848 . 2 1 14 ALA CA C 0.567 15.817 -2.527 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 6 . 2849 . 2 1 14 ALA CB C 0.829 15.099 -3.856 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 6 . 2850 . 2 1 14 ALA H H -0.614 13.957 -2.045 . . . 1.0 . . . . . . . . . . . . B . 13 ALA H . . . . . . . . . rr_1pbz 1 . 6 . 2851 . 2 1 14 ALA HA H 1.488 15.747 -1.921 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 6 . 2852 . 2 1 14 ALA HB1 H 1.129 14.044 -3.701 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 6 . 2853 . 2 1 14 ALA HB2 H -0.079 15.088 -4.489 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2854 . 2 1 14 ALA HB3 H 1.632 15.593 -4.424 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2855 . 2 1 14 ALA N N -0.478 14.949 -1.872 . . . 1.0 . . . . . . . . . . . . B . 13 ALA N . . . . . . . . . rr_1pbz 1 . 6 . 2856 . 2 1 14 ALA O O 1.192 18.201 -2.520 . . . 1.0 . . . . . . . . . . . . B . 13 ALA O . . . . . . . . . rr_1pbz 1 . 6 . 2857 . 2 1 15 GLU C C -1.628 19.526 -1.175 . . . 1.0 . . . . . . . . . . . . B . 14 GLU C . . . . . . . . . rr_1pbz 1 . 6 . 2858 . 2 1 15 GLU CA C -1.570 19.098 -2.710 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 6 . 2859 . 2 1 15 GLU CB C -2.928 19.061 -3.498 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 6 . 2860 . 2 1 15 GLU CD C -5.354 19.565 -2.675 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 6 . 2861 . 2 1 15 GLU CG C -4.031 20.126 -3.199 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 6 . 2862 . 2 1 15 GLU H H -1.578 16.882 -2.936 . . . 1.0 . . . . . . . . . . . . B . 14 GLU H . . . . . . . . . rr_1pbz 1 . 6 . 2863 . 2 1 15 GLU HA H -0.912 19.833 -3.211 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 6 . 2864 . 2 1 15 GLU HB2 H -2.688 19.105 -4.578 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2865 . 2 1 15 GLU HB3 H -3.401 18.063 -3.400 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2866 . 2 1 15 GLU HG2 H -3.680 20.889 -2.485 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 6 . 2867 . 2 1 15 GLU HG3 H -4.275 20.689 -4.115 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 6 . 2868 . 2 1 15 GLU N N -0.996 17.728 -2.876 . . . 1.0 . . . . . . . . . . . . B . 14 GLU N . . . . . . . . . rr_1pbz 1 . 6 . 2869 . 2 1 15 GLU O O -0.808 20.343 -0.749 . . . 1.0 . . . . . . . . . . . . B . 14 GLU O . . . . . . . . . rr_1pbz 1 . 6 . 2870 . 2 1 15 GLU OE1 O -6.124 18.992 -3.476 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 6 . 2871 . 2 1 15 GLU OE2 O -5.623 19.654 -1.459 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 6 . 2872 . 2 1 16 ALA C C -1.833 18.311 2.094 . . . 1.0 . . . . . . . . . . . . B . 15 ALA C . . . . . . . . . rr_1pbz 1 . 6 . 2873 . 2 1 16 ALA CA C -2.620 19.289 1.131 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 6 . 2874 . 2 1 16 ALA CB C -4.120 19.414 1.461 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 6 . 2875 . 2 1 16 ALA H H -3.270 18.462 -0.859 . . . 1.0 . . . . . . . . . . . . B . 15 ALA H . . . . . . . . . rr_1pbz 1 . 6 . 2876 . 2 1 16 ALA HA H -2.180 20.291 1.312 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 6 . 2877 . 2 1 16 ALA HB1 H -4.284 19.688 2.518 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 6 . 2878 . 2 1 16 ALA HB2 H -4.670 18.479 1.260 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2879 . 2 1 16 ALA HB3 H -4.600 20.203 0.847 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2880 . 2 1 16 ALA N N -2.547 18.984 -0.339 . . . 1.0 . . . . . . . . . . . . B . 15 ALA N . . . . . . . . . rr_1pbz 1 . 6 . 2881 . 2 1 16 ALA O O -1.003 18.753 2.893 . . . 1.0 . . . . . . . . . . . . B . 15 ALA O . . . . . . . . . rr_1pbz 1 . 6 . 2882 . 2 1 17 GLY C C 0.135 15.633 2.104 . . . 1.0 . . . . . . . . . . . . B . 16 GLY C . . . . . . . . . rr_1pbz 1 . 6 . 2883 . 2 1 17 GLY CA C -1.273 15.919 2.690 . . . 1.0 . . . . . . . . . . . . B . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 6 . 2884 . 2 1 17 GLY H H -2.510 16.828 1.114 . . . 1.0 . . . . . . . . . . . . B . 16 GLY H . . . . . . . . . rr_1pbz 1 . 6 . 2885 . 2 1 17 GLY HA2 H -1.187 16.028 3.770 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 6 . 2886 . 2 1 17 GLY HA3 H -1.810 14.964 2.506 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 6 . 2887 . 2 1 17 GLY N N -2.113 16.995 2.048 . . . 1.0 . . . . . . . . . . . . B . 16 GLY N . . . . . . . . . rr_1pbz 1 . 6 . 2888 . 2 1 17 GLY O O 0.427 14.494 1.738 . . . 1.0 . . . . . . . . . . . . B . 16 GLY O . . . . . . . . . rr_1pbz 1 . 6 . 2889 . 2 1 18 CYS C C 3.174 15.428 1.091 . . . 1.0 . . . . . . . . . . . . B . 17 CYS C . . . . . . . . . rr_1pbz 1 . 6 . 2890 . 2 1 18 CYS CA C 2.239 16.688 1.227 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 6 . 2891 . 2 1 18 CYS CB C 2.999 17.889 1.851 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 6 . 2892 . 2 1 18 CYS H H 0.531 17.531 2.354 . . . 1.0 . . . . . . . . . . . . B . 17 CYS H . . . . . . . . . rr_1pbz 1 . 6 . 2893 . 2 1 18 CYS HA H 1.922 16.947 0.175 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 6 . 2894 . 2 1 18 CYS HB2 H 4.006 18.000 1.410 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 6 . 2895 . 2 1 18 CYS HB3 H 2.477 18.831 1.597 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 6 . 2896 . 2 1 18 CYS N N 0.971 16.666 2.007 . . . 1.0 . . . . . . . . . . . . B . 17 CYS N . . . . . . . . . rr_1pbz 1 . 6 . 2897 . 2 1 18 CYS O O 4.218 15.282 1.718 . . . 1.0 . . . . . . . . . . . . B . 17 CYS O . . . . . . . . . rr_1pbz 1 . 6 . 2898 . 2 1 18 CYS SG S 3.158 17.825 3.673 . . . 1.0 . . . . . . . . . . . . B . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 6 . 2899 . 2 1 19 NH2 HN1 H 1.893 14.435 0.002 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 6 . 2900 . 2 1 19 NH2 HN2 H 3.518 13.685 0.326 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 6 . 2901 . 2 1 19 NH2 N N 2.894 14.489 0.214 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 6 . 2902 . 3 2 1 PC3 C C -0.549 9.343 1.278 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C . . . . . . . . . rr_1pbz 1 . 6 . 2903 . 3 2 1 PC3 C1 C 0.795 8.995 0.866 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C1 . . . . . . . . . rr_1pbz 1 . 6 . 2904 . 3 2 1 PC3 C10 C -5.911 7.897 1.762 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C10 . . . . . . . . . rr_1pbz 1 . 6 . 2905 . 3 2 1 PC3 C11 C -4.468 0.790 -1.534 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C11 . . . . . . . . . rr_1pbz 1 . 6 . 2906 . 3 2 1 PC3 C12 C 4.555 5.196 -0.625 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C12 . . . . . . . . . rr_1pbz 1 . 6 . 2907 . 3 2 1 PC3 C14 C -0.978 10.714 1.780 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C14 . . . . . . . . . rr_1pbz 1 . 6 . 2908 . 3 2 1 PC3 C15 C -1.233 10.884 3.289 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C15 . . . . . . . . . rr_1pbz 1 . 6 . 2909 . 3 2 1 PC3 C16 C -6.827 4.805 1.098 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C16 . . . . . . . . . rr_1pbz 1 . 6 . 2910 . 3 2 1 PC3 C17 C -6.881 3.241 1.186 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C17 . . . . . . . . . rr_1pbz 1 . 6 . 2911 . 3 2 1 PC3 C18 C -1.295 0.012 -2.552 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C18 . . . . . . . . . rr_1pbz 1 . 6 . 2912 . 3 2 1 PC3 C19 C -1.389 0.238 -4.076 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C19 . . . . . . . . . rr_1pbz 1 . 6 . 2913 . 3 2 1 PC3 C2 C 3.093 4.808 -0.914 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2 . . . . . . . . . rr_1pbz 1 . 6 . 2914 . 3 2 1 PC3 C21 C -2.593 10.345 3.670 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C21 . . . . . . . . . rr_1pbz 1 . 6 . 2915 . 3 2 1 PC3 C22 C 5.679 7.496 -0.531 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C22 . . . . . . . . . rr_1pbz 1 . 6 . 2916 . 3 2 1 PC3 C23 C -0.924 1.600 -4.560 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C23 . . . . . . . . . rr_1pbz 1 . 6 . 2917 . 3 2 1 PC3 C24 C -7.869 2.583 2.155 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C24 . . . . . . . . . rr_1pbz 1 . 6 . 2918 . 3 2 1 PC3 C2A C 0.701 7.657 0.372 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2A . . . . . . . . . rr_1pbz 1 . 6 . 2919 . 3 2 1 PC3 C2C C -1.337 8.181 0.901 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2C . . . . . . . . . rr_1pbz 1 . 6 . 2920 . 3 2 1 PC3 C3 C 2.641 3.518 -1.397 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C3 . . . . . . . . . rr_1pbz 1 . 6 . 2921 . 3 2 1 PC3 C4 C -1.833 1.225 -1.806 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4 . . . . . . . . . rr_1pbz 1 . 6 . 2922 . 3 2 1 PC3 C4A C 1.225 3.558 -1.245 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4A . . . . . . . . . rr_1pbz 1 . 6 . 2923 . 3 2 1 PC3 C4C C 1.885 5.502 -0.568 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4C . . . . . . . . . rr_1pbz 1 . 6 . 2924 . 3 2 1 PC3 C5 C -3.189 1.586 -1.479 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C5 . . . . . . . . . rr_1pbz 1 . 6 . 2925 . 3 2 1 PC3 C6 C -5.490 5.498 0.672 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6 . . . . . . . . . rr_1pbz 1 . 6 . 2926 . 3 2 1 PC3 C6A C -3.104 2.900 -0.994 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6A . . . . . . . . . rr_1pbz 1 . 6 . 2927 . 3 2 1 PC3 C6C C -1.081 2.371 -1.451 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6C . . . . . . . . . rr_1pbz 1 . 6 . 2928 . 3 2 1 PC3 C7 C -5.071 6.855 1.027 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C7 . . . . . . . . . rr_1pbz 1 . 6 . 2929 . 3 2 1 PC3 C8 C 3.503 2.347 -1.884 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8 . . . . . . . . . rr_1pbz 1 . 6 . 2930 . 3 2 1 PC3 C8A C -3.661 6.903 0.761 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8A . . . . . . . . . rr_1pbz 1 . 6 . 2931 . 3 2 1 PC3 C8C C -4.307 4.939 0.092 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8C . . . . . . . . . rr_1pbz 1 . 6 . 2932 . 3 2 1 PC3 C9 C 1.997 9.937 0.908 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C9 . . . . . . . . . rr_1pbz 1 . 6 . 2933 . 3 2 1 PC3 CA C 1.834 6.865 -0.075 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CA . . . . . . . . . rr_1pbz 1 . 6 . 2934 . 3 2 1 PC3 CB C 0.349 2.456 -1.576 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CB . . . . . . . . . rr_1pbz 1 . 6 . 2935 . 3 2 1 PC3 CC C -4.244 3.645 -0.551 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CC . . . . . . . . . rr_1pbz 1 . 6 . 2936 . 3 2 1 PC3 CD C -2.783 8.038 1.058 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CD . . . . . . . . . rr_1pbz 1 . 6 . 2937 . 3 2 1 PC3 CO3 Co -1.248 5.284 -0.345 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CO3 . . . . . . . . . rr_1pbz 1 . 6 . 2938 . 3 2 1 PC3 CX5 C 5.164 6.374 -1.428 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CX5 . . . . . . . . . rr_1pbz 1 . 6 . 2939 . 3 2 1 PC3 H101 H -5.710 7.875 2.852 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H101 . . . . . . . . . rr_1pbz 1 . 6 . 2940 . 3 2 1 PC3 H102 H -5.697 8.931 1.432 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H102 . . . . . . . . . rr_1pbz 1 . 6 . 2941 . 3 2 1 PC3 H103 H -6.997 7.732 1.634 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H103 . . . . . . . . . rr_1pbz 1 . 6 . 2942 . 3 2 1 PC3 H111 H -4.273 -0.295 -1.523 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H111 . . . . . . . . . rr_1pbz 1 . 6 . 2943 . 3 2 1 PC3 H112 H -5.127 1.002 -0.670 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H112 . . . . . . . . . rr_1pbz 1 . 6 . 2944 . 3 2 1 PC3 H113 H -5.042 1.020 -2.447 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H113 . . . . . . . . . rr_1pbz 1 . 6 . 2945 . 3 2 1 PC3 H121 H 5.222 4.323 -0.757 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H121 . . . . . . . . . rr_1pbz 1 . 6 . 2946 . 3 2 1 PC3 H122 H 4.646 5.404 0.460 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H122 . . . . . . . . . rr_1pbz 1 . 6 . 2947 . 3 2 1 PC3 H141 H -0.233 11.474 1.470 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H141 . . . . . . . . . rr_1pbz 1 . 6 . 2948 . 3 2 1 PC3 H142 H -1.904 10.971 1.244 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H142 . . . . . . . . . rr_1pbz 1 . 6 . 2949 . 3 2 1 PC3 H151 H -1.215 11.954 3.565 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H151 . . . . . . . . . rr_1pbz 1 . 6 . 2950 . 3 2 1 PC3 H152 H -0.448 10.407 3.906 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H152 . . . . . . . . . rr_1pbz 1 . 6 . 2951 . 3 2 1 PC3 H161 H -7.100 5.191 2.101 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H161 . . . . . . . . . rr_1pbz 1 . 6 . 2952 . 3 2 1 PC3 H162 H -7.658 5.153 0.455 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H162 . . . . . . . . . rr_1pbz 1 . 6 . 2953 . 3 2 1 PC3 H171 H -7.093 2.813 0.191 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H171 . . . . . . . . . rr_1pbz 1 . 6 . 2954 . 3 2 1 PC3 H172 H -5.904 2.841 1.498 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H172 . . . . . . . . . rr_1pbz 1 . 6 . 2955 . 3 2 1 PC3 H181 H -0.239 -0.160 -2.268 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H181 . . . . . . . . . rr_1pbz 1 . 6 . 2956 . 3 2 1 PC3 H182 H -1.832 -0.911 -2.289 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H182 . . . . . . . . . rr_1pbz 1 . 6 . 2957 . 3 2 1 PC3 H191 H -0.822 -0.535 -4.626 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H191 . . . . . . . . . rr_1pbz 1 . 6 . 2958 . 3 2 1 PC3 H192 H -2.432 0.132 -4.416 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H192 . . . . . . . . . rr_1pbz 1 . 6 . 2959 . 3 2 1 PC3 H221 H 4.452 6.809 -2.152 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H221 . . . . . . . . . rr_1pbz 1 . 6 . 2960 . 3 2 1 PC3 H222 H 6.019 6.029 -2.037 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H222 . . . . . . . . . rr_1pbz 1 . 6 . 2961 . 3 2 1 PC3 H81 H 3.705 1.619 -1.077 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H81 . . . . . . . . . rr_1pbz 1 . 6 . 2962 . 3 2 1 PC3 H82 H 4.485 2.690 -2.264 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H82 . . . . . . . . . rr_1pbz 1 . 6 . 2963 . 3 2 1 PC3 H83 H 3.028 1.798 -2.719 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H83 . . . . . . . . . rr_1pbz 1 . 6 . 2964 . 3 2 1 PC3 H91 H 1.944 10.708 0.118 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H91 . . . . . . . . . rr_1pbz 1 . 6 . 2965 . 3 2 1 PC3 H92 H 2.061 10.479 1.871 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H92 . . . . . . . . . rr_1pbz 1 . 6 . 2966 . 3 2 1 PC3 H93 H 2.967 9.425 0.776 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H93 . . . . . . . . . rr_1pbz 1 . 6 . 2967 . 3 2 1 PC3 HA H 2.799 7.351 0.009 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HA . . . . . . . . . rr_1pbz 1 . 6 . 2968 . 3 2 1 PC3 HB H 0.835 1.565 -1.960 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HB . . . . . . . . . rr_1pbz 1 . 6 . 2969 . 3 2 1 PC3 HC H -5.187 3.136 -0.693 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HC . . . . . . . . . rr_1pbz 1 . 6 . 2970 . 3 2 1 PC3 HD H -3.275 8.897 1.501 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HD . . . . . . . . . rr_1pbz 1 . 6 . 2971 . 3 2 1 PC3 N2B N -0.588 7.149 0.350 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N2B . . . . . . . . . rr_1pbz 1 . 6 . 2972 . 3 2 1 PC3 N4B N 0.732 4.752 -0.745 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N4B . . . . . . . . . rr_1pbz 1 . 6 . 2973 . 3 2 1 PC3 N6B N -1.839 3.418 -0.972 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N6B . . . . . . . . . rr_1pbz 1 . 6 . 2974 . 3 2 1 PC3 N8B N -3.181 5.740 0.193 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N8B . . . . . . . . . rr_1pbz 1 . 6 . 2975 . 3 2 1 PC3 O1 O -2.656 9.135 3.992 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O1 . . . . . . . . . rr_1pbz 1 . 6 . 2976 . 3 2 1 PC3 O2 O -3.613 11.023 3.436 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O2 . . . . . . . . . rr_1pbz 1 . 6 . 2977 . 3 2 1 PC3 O22 O 6.750 7.346 0.086 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O22 . . . . . . . . . rr_1pbz 1 . 6 . 2978 . 3 2 1 PC3 O23 O -0.713 2.505 -3.707 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O23 . . . . . . . . . rr_1pbz 1 . 6 . 2979 . 3 2 1 PC3 O3 O 4.929 8.478 -0.359 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O3 . . . . . . . . . rr_1pbz 1 . 6 . 2980 . 3 2 1 PC3 O4 O -0.829 1.826 -5.776 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O4 . . . . . . . . . rr_1pbz 1 . 6 . 2981 . 3 2 1 PC3 O5 O -7.560 2.574 3.363 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O5 . . . . . . . . . rr_1pbz 1 . 6 . 2982 . 3 2 1 PC3 O6 O -8.900 2.056 1.702 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O6 . . . . . . . . . rr_1pbz 1 . 7 . 2983 . 1 1 2 CYS C C -3.252 -2.443 0.821 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . rr_1pbz 1 . 7 . 2984 . 1 1 2 CYS CA C -2.973 -3.250 -0.510 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 7 . 2985 . 1 1 2 CYS CB C -4.133 -3.091 -1.521 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 7 . 2986 . 1 1 2 CYS H H -3.637 -5.422 -0.307 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H . . . . . . . . . rr_1pbz 1 . 7 . 2987 . 1 1 2 CYS HA H -2.076 -2.744 -0.989 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 7 . 2988 . 1 1 2 CYS HB2 H -5.065 -3.587 -1.189 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 7 . 2989 . 1 1 2 CYS HB3 H -4.388 -2.024 -1.659 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 7 . 2990 . 1 1 2 CYS N N -2.852 -4.750 -0.366 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . rr_1pbz 1 . 7 . 2991 . 1 1 2 CYS O O -3.410 -1.223 0.736 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . rr_1pbz 1 . 7 . 2992 . 1 1 2 CYS SG S -3.629 -3.735 -3.128 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 7 . 2993 . 1 1 3 GLY C C -2.571 -2.179 4.345 . . . 1.0 . . . . . . . . . . . . A . 2 GLY C . . . . . . . . . rr_1pbz 1 . 7 . 2994 . 1 1 3 GLY CA C -3.688 -2.339 3.291 . . . 1.0 . . . . . . . . . . . . A . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 7 . 2995 . 1 1 3 GLY H H -3.171 -4.072 2.010 . . . 1.0 . . . . . . . . . . . . A . 2 GLY H . . . . . . . . . rr_1pbz 1 . 7 . 2996 . 1 1 3 GLY HA2 H -4.093 -1.328 3.081 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 7 . 2997 . 1 1 3 GLY HA3 H -4.532 -2.861 3.776 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 7 . 2998 . 1 1 3 GLY N N -3.334 -3.057 2.028 . . . 1.0 . . . . . . . . . . . . A . 2 GLY N . . . . . . . . . rr_1pbz 1 . 7 . 2999 . 1 1 3 GLY O O -2.323 -1.063 4.789 . . . 1.0 . . . . . . . . . . . . A . 2 GLY O . . . . . . . . . rr_1pbz 1 . 7 . 3000 . 1 1 4 ALA C C 0.576 -2.775 5.297 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . rr_1pbz 1 . 7 . 3001 . 1 1 4 ALA CA C -0.837 -3.196 5.816 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 7 . 3002 . 1 1 4 ALA CB C -0.837 -4.560 6.494 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 7 . 3003 . 1 1 4 ALA H H -2.146 -4.146 4.331 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . rr_1pbz 1 . 7 . 3004 . 1 1 4 ALA HA H -1.112 -2.444 6.586 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 7 . 3005 . 1 1 4 ALA HB1 H -0.576 -5.360 5.777 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 7 . 3006 . 1 1 4 ALA HB2 H -1.825 -4.782 6.935 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3007 . 1 1 4 ALA HB3 H -0.091 -4.570 7.307 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3008 . 1 1 4 ALA N N -1.930 -3.268 4.805 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . rr_1pbz 1 . 7 . 3009 . 1 1 4 ALA O O 1.254 -1.991 5.963 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . rr_1pbz 1 . 7 . 3010 . 1 1 5 GLU C C 2.045 -1.183 3.041 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . rr_1pbz 1 . 7 . 3011 . 1 1 5 GLU CA C 2.235 -2.697 3.450 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 7 . 3012 . 1 1 5 GLU CB C 2.548 -3.585 2.245 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 7 . 3013 . 1 1 5 GLU CD C 4.524 -5.052 3.084 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 7 . 3014 . 1 1 5 GLU CG C 3.118 -5.011 2.519 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 7 . 3015 . 1 1 5 GLU H H 0.567 -4.094 3.754 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . rr_1pbz 1 . 7 . 3016 . 1 1 5 GLU HA H 3.109 -2.763 4.105 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 7 . 3017 . 1 1 5 GLU HB2 H 1.619 -3.633 1.653 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3018 . 1 1 5 GLU HB3 H 3.271 -3.014 1.641 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3019 . 1 1 5 GLU HG2 H 2.471 -5.585 3.201 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 7 . 3020 . 1 1 5 GLU HG3 H 3.137 -5.587 1.576 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 7 . 3021 . 1 1 5 GLU N N 1.042 -3.273 4.141 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . rr_1pbz 1 . 7 . 3022 . 1 1 5 GLU O O 2.928 -0.344 3.244 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . rr_1pbz 1 . 7 . 3023 . 1 1 5 GLU OE1 O 4.732 -4.697 4.261 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 7 . 3024 . 1 1 5 GLU OE2 O 5.475 -5.311 2.324 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 7 . 3025 . 1 1 6 ALA C C 0.382 1.371 3.685 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . rr_1pbz 1 . 7 . 3026 . 1 1 6 ALA CA C 0.391 0.564 2.347 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 7 . 3027 . 1 1 6 ALA CB C -1.044 0.455 1.818 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 7 . 3028 . 1 1 6 ALA H H 0.246 -1.680 2.467 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . rr_1pbz 1 . 7 . 3029 . 1 1 6 ALA HA H 1.018 1.148 1.616 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 7 . 3030 . 1 1 6 ALA HB1 H -1.696 -0.095 2.526 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 7 . 3031 . 1 1 6 ALA HB2 H -1.097 -0.078 0.855 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3032 . 1 1 6 ALA HB3 H -1.515 1.441 1.700 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3033 . 1 1 6 ALA N N 0.854 -0.844 2.508 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . rr_1pbz 1 . 7 . 3034 . 1 1 6 ALA O O 0.894 2.483 3.678 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . rr_1pbz 1 . 7 . 3035 . 1 1 7 ALA C C 1.463 1.656 6.665 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_1pbz 1 . 7 . 3036 . 1 1 7 ALA CA C -0.009 1.470 6.149 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 7 . 3037 . 1 1 7 ALA CB C -0.706 0.509 7.093 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 7 . 3038 . 1 1 7 ALA H H -0.629 -0.068 4.689 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_1pbz 1 . 7 . 3039 . 1 1 7 ALA HA H -0.577 2.441 6.192 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 7 . 3040 . 1 1 7 ALA HB1 H -0.677 0.913 8.117 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 7 . 3041 . 1 1 7 ALA HB2 H -0.173 -0.458 7.115 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3042 . 1 1 7 ALA HB3 H -1.749 0.336 6.792 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3043 . 1 1 7 ALA N N -0.168 0.856 4.803 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_1pbz 1 . 7 . 3044 . 1 1 7 ALA O O 1.749 2.701 7.251 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_1pbz 1 . 7 . 3045 . 1 1 8 LYS C C 4.455 2.080 5.913 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1pbz 1 . 7 . 3046 . 1 1 8 LYS CA C 3.849 0.867 6.710 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 7 . 3047 . 1 1 8 LYS CB C 4.485 -0.514 6.369 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 7 . 3048 . 1 1 8 LYS CD C 6.504 -1.813 5.430 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 7 . 3049 . 1 1 8 LYS CE C 6.321 -1.624 3.902 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 7 . 3050 . 1 1 8 LYS CG C 6.032 -0.605 6.271 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 7 . 3051 . 1 1 8 LYS H H 2.010 -0.209 6.038 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1pbz 1 . 7 . 3052 . 1 1 8 LYS HA H 4.011 1.116 7.784 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 7 . 3053 . 1 1 8 LYS HB2 H 4.122 -1.270 7.093 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3054 . 1 1 8 LYS HB3 H 4.056 -0.856 5.409 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3055 . 1 1 8 LYS HD2 H 7.573 -2.002 5.655 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 7 . 3056 . 1 1 8 LYS HD3 H 5.973 -2.725 5.781 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 7 . 3057 . 1 1 8 LYS HE2 H 5.278 -1.324 3.653 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 7 . 3058 . 1 1 8 LYS HE3 H 6.947 -0.783 3.524 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 7 . 3059 . 1 1 8 LYS HG2 H 6.467 0.323 5.847 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 7 . 3060 . 1 1 8 LYS HG3 H 6.454 -0.659 7.295 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 7 . 3061 . 1 1 8 LYS HZ1 H 6.490 -2.956 2.220 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 7 . 3062 . 1 1 8 LYS HZ2 H 5.994 -3.673 3.537 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 7 . 3063 . 1 1 8 LYS HZ3 H 7.571 -3.314 3.430 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 7 . 3064 . 1 1 8 LYS N N 2.377 0.668 6.476 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1pbz 1 . 7 . 3065 . 1 1 8 LYS NZ N 6.653 -2.908 3.237 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 7 . 3066 . 1 1 8 LYS O O 5.172 2.905 6.484 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1pbz 1 . 7 . 3067 . 1 1 9 ALA C C 3.728 4.704 4.336 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_1pbz 1 . 7 . 3068 . 1 1 9 ALA CA C 4.415 3.395 3.798 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 7 . 3069 . 1 1 9 ALA CB C 3.890 3.047 2.417 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 7 . 3070 . 1 1 9 ALA H H 3.632 1.374 4.241 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_1pbz 1 . 7 . 3071 . 1 1 9 ALA HA H 5.501 3.550 3.646 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 7 . 3072 . 1 1 9 ALA HB1 H 4.201 3.838 1.724 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 7 . 3073 . 1 1 9 ALA HB2 H 2.793 2.999 2.408 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3074 . 1 1 9 ALA HB3 H 4.312 2.098 2.057 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3075 . 1 1 9 ALA N N 4.156 2.179 4.608 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_1pbz 1 . 7 . 3076 . 1 1 9 ALA O O 4.376 5.737 4.467 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_1pbz 1 . 7 . 3077 . 1 1 10 HIS C C 2.412 6.272 6.712 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_1pbz 1 . 7 . 3078 . 1 1 10 HIS CA C 1.714 5.771 5.393 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 7 . 3079 . 1 1 10 HIS CB C 0.227 5.317 5.472 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 7 . 3080 . 1 1 10 HIS CD2 C -0.379 5.483 2.911 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 7 . 3081 . 1 1 10 HIS CE1 C -2.018 4.044 2.816 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 7 . 3082 . 1 1 10 HIS CG C -0.596 5.009 4.190 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 7 . 3083 . 1 1 10 HIS H H 1.975 3.724 4.575 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_1pbz 1 . 7 . 3084 . 1 1 10 HIS HA H 1.784 6.693 4.792 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 7 . 3085 . 1 1 10 HIS HB2 H 0.228 4.413 6.103 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3086 . 1 1 10 HIS HB3 H -0.322 6.068 6.052 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3087 . 1 1 10 HIS HD1 H -2.075 3.551 4.944 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 7 . 3088 . 1 1 10 HIS HD2 H 0.389 6.166 2.581 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 7 . 3089 . 1 1 10 HIS HE1 H -2.802 3.378 2.457 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 7 . 3090 . 1 1 10 HIS N N 2.420 4.662 4.679 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_1pbz 1 . 7 . 3091 . 1 1 10 HIS ND1 N -1.613 4.040 4.170 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 7 . 3092 . 1 1 10 HIS NE2 N -1.303 4.942 2.097 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 7 . 3093 . 1 1 10 HIS O O 2.704 7.469 6.770 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_1pbz 1 . 7 . 3094 . 1 1 11 ALA C C 5.068 6.350 8.368 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_1pbz 1 . 7 . 3095 . 1 1 11 ALA CA C 3.675 5.767 8.807 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 7 . 3096 . 1 1 11 ALA CB C 3.817 4.421 9.559 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 7 . 3097 . 1 1 11 ALA H H 2.070 4.683 7.952 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_1pbz 1 . 7 . 3098 . 1 1 11 ALA HA H 3.208 6.515 9.469 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 7 . 3099 . 1 1 11 ALA HB1 H 4.495 4.515 10.426 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 7 . 3100 . 1 1 11 ALA HB2 H 4.255 3.632 8.911 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3101 . 1 1 11 ALA HB3 H 2.854 4.029 9.932 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3102 . 1 1 11 ALA N N 2.743 5.416 7.704 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_1pbz 1 . 7 . 3103 . 1 1 11 ALA O O 5.462 7.427 8.828 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_1pbz 1 . 7 . 3104 . 1 1 12 LYS C C 7.033 7.632 6.279 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_1pbz 1 . 7 . 3105 . 1 1 12 LYS CA C 7.061 6.178 6.871 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 7 . 3106 . 1 1 12 LYS CB C 7.597 5.103 5.881 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 7 . 3107 . 1 1 12 LYS CD C 10.156 5.643 6.052 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 7 . 3108 . 1 1 12 LYS CE C 11.146 6.718 5.562 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 7 . 3109 . 1 1 12 LYS CG C 8.915 5.433 5.139 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 7 . 3110 . 1 1 12 LYS H H 5.161 4.986 6.936 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_1pbz 1 . 7 . 3111 . 1 1 12 LYS HA H 7.760 6.238 7.728 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 7 . 3112 . 1 1 12 LYS HB2 H 7.689 4.132 6.404 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3113 . 1 1 12 LYS HB3 H 6.822 4.933 5.106 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3114 . 1 1 12 LYS HD2 H 9.829 5.961 7.063 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 7 . 3115 . 1 1 12 LYS HD3 H 10.654 4.672 6.245 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 7 . 3116 . 1 1 12 LYS HE2 H 10.616 7.699 5.494 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 7 . 3117 . 1 1 12 LYS HE3 H 11.931 6.879 6.338 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 7 . 3118 . 1 1 12 LYS HG2 H 9.114 4.633 4.399 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 7 . 3119 . 1 1 12 LYS HG3 H 8.719 6.329 4.511 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 7 . 3120 . 1 1 12 LYS HZ1 H 12.428 6.966 3.872 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 7 . 3121 . 1 1 12 LYS HZ2 H 11.001 6.218 3.533 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 7 . 3122 . 1 1 12 LYS HZ3 H 12.180 5.384 4.291 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 7 . 3123 . 1 1 12 LYS N N 5.769 5.669 7.431 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_1pbz 1 . 7 . 3124 . 1 1 12 LYS NZ N 11.735 6.309 4.252 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 7 . 3125 . 1 1 12 LYS O O 7.934 8.436 6.555 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_1pbz 1 . 7 . 3126 . 1 1 13 ALA C C 5.275 10.233 6.246 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . rr_1pbz 1 . 7 . 3127 . 1 1 13 ALA CA C 5.711 9.324 5.050 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 7 . 3128 . 1 1 13 ALA CB C 4.712 9.252 3.891 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 7 . 3129 . 1 1 13 ALA H H 5.480 7.130 5.133 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . rr_1pbz 1 . 7 . 3130 . 1 1 13 ALA HA H 6.641 9.750 4.638 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 7 . 3131 . 1 1 13 ALA HB1 H 5.220 8.833 3.003 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 7 . 3132 . 1 1 13 ALA HB2 H 3.834 8.625 4.135 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3133 . 1 1 13 ALA HB3 H 4.334 10.242 3.595 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3134 . 1 1 13 ALA N N 6.014 7.945 5.467 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . rr_1pbz 1 . 7 . 3135 . 1 1 13 ALA O O 6.038 11.105 6.617 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . rr_1pbz 1 . 7 . 3136 . 1 1 14 ALA C C 4.893 11.139 9.246 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_1pbz 1 . 7 . 3137 . 1 1 14 ALA CA C 3.770 10.742 8.197 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 7 . 3138 . 1 1 14 ALA CB C 2.671 9.842 8.773 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 7 . 3139 . 1 1 14 ALA H H 3.520 9.448 6.372 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_1pbz 1 . 7 . 3140 . 1 1 14 ALA HA H 3.293 11.702 7.933 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 7 . 3141 . 1 1 14 ALA HB1 H 2.234 10.276 9.686 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 7 . 3142 . 1 1 14 ALA HB2 H 3.073 8.843 9.023 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3143 . 1 1 14 ALA HB3 H 1.847 9.695 8.046 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3144 . 1 1 14 ALA N N 4.141 10.047 6.910 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_1pbz 1 . 7 . 3145 . 1 1 14 ALA O O 4.790 12.149 9.945 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_1pbz 1 . 7 . 3146 . 1 1 15 GLU C C 8.192 11.538 9.077 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . rr_1pbz 1 . 7 . 3147 . 1 1 15 GLU CA C 7.248 10.603 9.951 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 7 . 3148 . 1 1 15 GLU CB C 7.837 9.204 10.307 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 7 . 3149 . 1 1 15 GLU CD C 9.265 8.373 12.318 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 7 . 3150 . 1 1 15 GLU CG C 9.208 9.197 11.045 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 7 . 3151 . 1 1 15 GLU H H 5.801 9.636 8.524 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . rr_1pbz 1 . 7 . 3152 . 1 1 15 GLU HA H 7.061 11.132 10.906 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 7 . 3153 . 1 1 15 GLU HB2 H 7.091 8.657 10.921 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3154 . 1 1 15 GLU HB3 H 7.927 8.582 9.397 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3155 . 1 1 15 GLU HG2 H 9.998 8.793 10.395 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 7 . 3156 . 1 1 15 GLU HG3 H 9.537 10.215 11.314 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 7 . 3157 . 1 1 15 GLU N N 5.945 10.319 9.282 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . rr_1pbz 1 . 7 . 3158 . 1 1 15 GLU O O 8.420 12.692 9.448 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . rr_1pbz 1 . 7 . 3159 . 1 1 15 GLU OE1 O 9.342 7.131 12.219 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 7 . 3160 . 1 1 15 GLU OE2 O 9.268 8.968 13.413 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 7 . 3161 . 1 1 16 ALA C C 8.885 12.657 5.813 . . . 1.0 . . . . . . . . . . . . A . 15 ALA C . . . . . . . . . rr_1pbz 1 . 7 . 3162 . 1 1 16 ALA CA C 9.600 11.911 7.015 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 7 . 3163 . 1 1 16 ALA CB C 10.743 10.984 6.554 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 7 . 3164 . 1 1 16 ALA H H 8.530 10.077 7.782 . . . 1.0 . . . . . . . . . . . . A . 15 ALA H . . . . . . . . . rr_1pbz 1 . 7 . 3165 . 1 1 16 ALA HA H 10.070 12.722 7.609 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 7 . 3166 . 1 1 16 ALA HB1 H 11.300 10.569 7.416 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 7 . 3167 . 1 1 16 ALA HB2 H 10.365 10.140 5.951 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3168 . 1 1 16 ALA HB3 H 11.475 11.538 5.937 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3169 . 1 1 16 ALA N N 8.752 11.070 7.933 . . . 1.0 . . . . . . . . . . . . A . 15 ALA N . . . . . . . . . rr_1pbz 1 . 7 . 3170 . 1 1 16 ALA O O 9.198 13.813 5.516 . . . 1.0 . . . . . . . . . . . . A . 15 ALA O . . . . . . . . . rr_1pbz 1 . 7 . 3171 . 1 1 17 GLY C C 5.839 13.275 4.729 . . . 1.0 . . . . . . . . . . . . A . 16 GLY C . . . . . . . . . rr_1pbz 1 . 7 . 3172 . 1 1 17 GLY CA C 7.058 12.564 4.083 . . . 1.0 . . . . . . . . . . . . A . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 7 . 3173 . 1 1 17 GLY H H 7.664 11.198 5.651 . . . 1.0 . . . . . . . . . . . . A . 16 GLY H . . . . . . . . . rr_1pbz 1 . 7 . 3174 . 1 1 17 GLY HA2 H 7.539 13.244 3.385 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 7 . 3175 . 1 1 17 GLY HA3 H 6.659 11.707 3.497 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 7 . 3176 . 1 1 17 GLY N N 8.015 11.964 5.063 . . . 1.0 . . . . . . . . . . . . A . 16 GLY N . . . . . . . . . rr_1pbz 1 . 7 . 3177 . 1 1 17 GLY O O 5.997 14.214 5.509 . . . 1.0 . . . . . . . . . . . . A . 16 GLY O . . . . . . . . . rr_1pbz 1 . 7 . 3178 . 1 1 18 CYS C C 2.247 12.186 4.887 . . . 1.0 . . . . . . . . . . . . A . 17 CYS C . . . . . . . . . rr_1pbz 1 . 7 . 3179 . 1 1 18 CYS CA C 3.401 13.182 5.150 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 7 . 3180 . 1 1 18 CYS CB C 2.956 14.596 4.715 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 7 . 3181 . 1 1 18 CYS H H 4.596 12.144 3.634 . . . 1.0 . . . . . . . . . . . . A . 17 CYS H . . . . . . . . . rr_1pbz 1 . 7 . 3182 . 1 1 18 CYS HA H 3.666 13.072 6.241 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 7 . 3183 . 1 1 18 CYS HB2 H 2.161 14.960 5.387 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3184 . 1 1 18 CYS HB3 H 3.786 15.324 4.779 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3185 . 1 1 18 CYS N N 4.617 12.808 4.404 . . . 1.0 . . . . . . . . . . . . A . 17 CYS N . . . . . . . . . rr_1pbz 1 . 7 . 3186 . 1 1 18 CYS O O 1.749 11.458 5.748 . . . 1.0 . . . . . . . . . . . . A . 17 CYS O . . . . . . . . . rr_1pbz 1 . 7 . 3187 . 1 1 18 CYS SG S 2.312 14.552 3.023 . . . 1.0 . . . . . . . . . . . . A . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 7 . 3188 . 1 1 19 NH2 HN1 H 2.237 12.818 2.954 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 7 . 3189 . 1 1 19 NH2 HN2 H 1.019 11.595 3.377 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 7 . 3190 . 1 1 19 NH2 N N 1.802 12.201 3.648 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 7 . 3191 . 2 1 2 CYS C C -4.351 0.094 -7.327 . . . 1.0 . . . . . . . . . . . . B . 1 CYS C . . . . . . . . . rr_1pbz 1 . 7 . 3192 . 2 1 2 CYS CA C -3.562 -0.326 -6.025 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 7 . 3193 . 2 1 2 CYS CB C -4.158 -1.525 -5.253 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 7 . 3194 . 2 1 2 CYS H H -4.000 1.021 -4.272 . . . 1.0 . . . . . . . . . . . . B . 1 CYS H . . . . . . . . . rr_1pbz 1 . 7 . 3195 . 2 1 2 CYS HA H -2.603 -0.722 -6.450 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 7 . 3196 . 2 1 2 CYS HB2 H -5.034 -1.274 -4.628 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3197 . 2 1 2 CYS HB3 H -4.487 -2.330 -5.940 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3198 . 2 1 2 CYS N N -3.320 0.756 -5.003 . . . 1.0 . . . . . . . . . . . . B . 1 CYS N . . . . . . . . . rr_1pbz 1 . 7 . 3199 . 2 1 2 CYS O O -4.265 -0.653 -8.305 . . . 1.0 . . . . . . . . . . . . B . 1 CYS O . . . . . . . . . rr_1pbz 1 . 7 . 3200 . 2 1 2 CYS SG S -2.863 -2.243 -4.214 . . . 1.0 . . . . . . . . . . . . B . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 7 . 3201 . 2 1 3 GLY C C -6.255 3.102 -8.646 . . . 1.0 . . . . . . . . . . . . B . 2 GLY C . . . . . . . . . rr_1pbz 1 . 7 . 3202 . 2 1 3 GLY CA C -5.589 1.714 -8.733 . . . 1.0 . . . . . . . . . . . . B . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 7 . 3203 . 2 1 3 GLY H H -5.206 1.829 -6.606 . . . 1.0 . . . . . . . . . . . . B . 2 GLY H . . . . . . . . . rr_1pbz 1 . 7 . 3204 . 2 1 3 GLY HA2 H -4.732 1.801 -9.436 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 7 . 3205 . 2 1 3 GLY HA3 H -6.249 0.960 -9.199 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 7 . 3206 . 2 1 3 GLY N N -5.074 1.238 -7.430 . . . 1.0 . . . . . . . . . . . . B . 2 GLY N . . . . . . . . . rr_1pbz 1 . 7 . 3207 . 2 1 3 GLY O O -5.554 4.109 -8.692 . . . 1.0 . . . . . . . . . . . . B . 2 GLY O . . . . . . . . . rr_1pbz 1 . 7 . 3208 . 2 1 4 ALA C C -8.635 5.283 -7.378 . . . 1.0 . . . . . . . . . . . . B . 3 ALA C . . . . . . . . . rr_1pbz 1 . 7 . 3209 . 2 1 4 ALA CA C -8.339 4.457 -8.666 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 7 . 3210 . 2 1 4 ALA CB C -9.604 4.038 -9.412 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 7 . 3211 . 2 1 4 ALA H H -8.048 2.330 -8.185 . . . 1.0 . . . . . . . . . . . . B . 3 ALA H . . . . . . . . . rr_1pbz 1 . 7 . 3212 . 2 1 4 ALA HA H -7.756 5.155 -9.321 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 7 . 3213 . 2 1 4 ALA HB1 H -10.210 3.335 -8.810 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 7 . 3214 . 2 1 4 ALA HB2 H -10.224 4.921 -9.636 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3215 . 2 1 4 ALA HB3 H -9.355 3.547 -10.371 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3216 . 2 1 4 ALA N N -7.584 3.178 -8.515 . . . 1.0 . . . . . . . . . . . . B . 3 ALA N . . . . . . . . . rr_1pbz 1 . 7 . 3217 . 2 1 4 ALA O O -8.416 6.498 -7.418 . . . 1.0 . . . . . . . . . . . . B . 3 ALA O . . . . . . . . . rr_1pbz 1 . 7 . 3218 . 2 1 5 GLU C C -7.701 5.882 -4.525 . . . 1.0 . . . . . . . . . . . . B . 4 GLU C . . . . . . . . . rr_1pbz 1 . 7 . 3219 . 2 1 5 GLU CA C -9.138 5.430 -4.938 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 7 . 3220 . 2 1 5 GLU CB C -9.895 4.630 -3.847 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 7 . 3221 . 2 1 5 GLU CD C -9.214 5.507 -1.432 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 7 . 3222 . 2 1 5 GLU CG C -10.243 5.438 -2.557 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 7 . 3223 . 2 1 5 GLU H H -9.561 3.779 -6.366 . . . 1.0 . . . . . . . . . . . . B . 4 GLU H . . . . . . . . . rr_1pbz 1 . 7 . 3224 . 2 1 5 GLU HA H -9.683 6.369 -5.097 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 7 . 3225 . 2 1 5 GLU HB2 H -10.848 4.265 -4.275 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3226 . 2 1 5 GLU HB3 H -9.338 3.712 -3.575 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3227 . 2 1 5 GLU HG2 H -10.522 6.478 -2.786 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 7 . 3228 . 2 1 5 GLU HG3 H -11.146 5.001 -2.093 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 7 . 3229 . 2 1 5 GLU N N -9.134 4.702 -6.256 . . . 1.0 . . . . . . . . . . . . B . 4 GLU N . . . . . . . . . rr_1pbz 1 . 7 . 3230 . 2 1 5 GLU O O -7.486 7.067 -4.261 . . . 1.0 . . . . . . . . . . . . B . 4 GLU O . . . . . . . . . rr_1pbz 1 . 7 . 3231 . 2 1 5 GLU OE1 O -8.127 6.099 -1.599 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 7 . 3232 . 2 1 5 GLU OE2 O -9.518 4.987 -0.345 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 7 . 3233 . 2 1 6 ALA C C -4.914 6.531 -5.517 . . . 1.0 . . . . . . . . . . . . B . 5 ALA C . . . . . . . . . rr_1pbz 1 . 7 . 3234 . 2 1 6 ALA CA C -5.274 5.364 -4.571 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 7 . 3235 . 2 1 6 ALA CB C -4.442 4.171 -5.043 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 7 . 3236 . 2 1 6 ALA H H -7.080 4.155 -5.138 . . . 1.0 . . . . . . . . . . . . B . 5 ALA H . . . . . . . . . rr_1pbz 1 . 7 . 3237 . 2 1 6 ALA HA H -4.965 5.680 -3.537 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 7 . 3238 . 2 1 6 ALA HB1 H -4.556 3.312 -4.375 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 7 . 3239 . 2 1 6 ALA HB2 H -4.731 3.881 -6.073 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3240 . 2 1 6 ALA HB3 H -3.374 4.443 -5.121 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3241 . 2 1 6 ALA N N -6.707 4.976 -4.638 . . . 1.0 . . . . . . . . . . . . B . 5 ALA N . . . . . . . . . rr_1pbz 1 . 7 . 3242 . 2 1 6 ALA O O -4.381 7.507 -5.011 . . . 1.0 . . . . . . . . . . . . B . 5 ALA O . . . . . . . . . rr_1pbz 1 . 7 . 3243 . 2 1 7 ALA C C -5.382 9.007 -7.345 . . . 1.0 . . . . . . . . . . . . B . 6 ALA C . . . . . . . . . rr_1pbz 1 . 7 . 3244 . 2 1 7 ALA CA C -4.823 7.577 -7.734 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 7 . 3245 . 2 1 7 ALA CB C -5.369 7.179 -9.096 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 7 . 3246 . 2 1 7 ALA H H -5.713 5.653 -7.193 . . . 1.0 . . . . . . . . . . . . B . 6 ALA H . . . . . . . . . rr_1pbz 1 . 7 . 3247 . 2 1 7 ALA HA H -3.712 7.495 -7.743 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 7 . 3248 . 2 1 7 ALA HB1 H -6.463 7.020 -9.032 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 7 . 3249 . 2 1 7 ALA HB2 H -4.887 6.260 -9.452 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3250 . 2 1 7 ALA HB3 H -5.188 7.989 -9.818 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3251 . 2 1 7 ALA N N -5.198 6.478 -6.832 . . . 1.0 . . . . . . . . . . . . B . 6 ALA N . . . . . . . . . rr_1pbz 1 . 7 . 3252 . 2 1 7 ALA O O -4.630 9.975 -7.231 . . . 1.0 . . . . . . . . . . . . B . 6 ALA O . . . . . . . . . rr_1pbz 1 . 7 . 3253 . 2 1 8 LYS C C -6.896 10.733 -5.136 . . . 1.0 . . . . . . . . . . . . B . 7 LYS C . . . . . . . . . rr_1pbz 1 . 7 . 3254 . 2 1 8 LYS CA C -7.434 10.235 -6.522 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 7 . 3255 . 2 1 8 LYS CB C -8.906 9.715 -6.468 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 7 . 3256 . 2 1 8 LYS CD C -11.351 9.977 -5.825 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 7 . 3257 . 2 1 8 LYS CE C -12.453 10.769 -5.100 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 7 . 3258 . 2 1 8 LYS CG C -9.977 10.685 -5.922 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 7 . 3259 . 2 1 8 LYS H H -7.156 8.150 -7.190 . . . 1.0 . . . . . . . . . . . . B . 7 LYS H . . . . . . . . . rr_1pbz 1 . 7 . 3260 . 2 1 8 LYS HA H -7.331 11.099 -7.217 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 7 . 3261 . 2 1 8 LYS HB2 H -9.218 9.362 -7.473 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3262 . 2 1 8 LYS HB3 H -8.923 8.794 -5.841 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3263 . 2 1 8 LYS HD2 H -11.685 9.643 -6.830 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 7 . 3264 . 2 1 8 LYS HD3 H -11.206 9.026 -5.268 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 7 . 3265 . 2 1 8 LYS HE2 H -13.308 10.086 -4.879 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 7 . 3266 . 2 1 8 LYS HE3 H -12.089 11.082 -4.091 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 7 . 3267 . 2 1 8 LYS HG2 H -9.664 11.040 -4.918 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 7 . 3268 . 2 1 8 LYS HG3 H -10.018 11.588 -6.562 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 7 . 3269 . 2 1 8 LYS HZ1 H -13.645 12.490 -5.503 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 7 . 3270 . 2 1 8 LYS HZ2 H -13.217 11.654 -6.859 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 7 . 3271 . 2 1 8 LYS HZ3 H -12.115 12.589 -6.099 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 7 . 3272 . 2 1 8 LYS N N -6.710 9.076 -7.115 . . . 1.0 . . . . . . . . . . . . B . 7 LYS N . . . . . . . . . rr_1pbz 1 . 7 . 3273 . 2 1 8 LYS NZ N -12.889 11.933 -5.925 . . . 1.0 . . . . . . . . . . . . B . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 7 . 3274 . 2 1 8 LYS O O -6.655 11.930 -4.976 . . . 1.0 . . . . . . . . . . . . B . 7 LYS O . . . . . . . . . rr_1pbz 1 . 7 . 3275 . 2 1 9 ALA C C -4.502 10.632 -3.057 . . . 1.0 . . . . . . . . . . . . B . 8 ALA C . . . . . . . . . rr_1pbz 1 . 7 . 3276 . 2 1 9 ALA CA C -5.983 10.165 -2.890 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 7 . 3277 . 2 1 9 ALA CB C -5.892 8.866 -2.107 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 7 . 3278 . 2 1 9 ALA H H -6.992 8.877 -4.354 . . . 1.0 . . . . . . . . . . . . B . 8 ALA H . . . . . . . . . rr_1pbz 1 . 7 . 3279 . 2 1 9 ALA HA H -6.564 10.871 -2.262 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 7 . 3280 . 2 1 9 ALA HB1 H -5.347 9.066 -1.170 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 7 . 3281 . 2 1 9 ALA HB2 H -5.323 8.105 -2.674 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3282 . 2 1 9 ALA HB3 H -6.888 8.467 -1.871 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3283 . 2 1 9 ALA N N -6.719 9.848 -4.139 . . . 1.0 . . . . . . . . . . . . B . 8 ALA N . . . . . . . . . rr_1pbz 1 . 7 . 3284 . 2 1 9 ALA O O -4.037 11.477 -2.296 . . . 1.0 . . . . . . . . . . . . B . 8 ALA O . . . . . . . . . rr_1pbz 1 . 7 . 3285 . 2 1 10 HIS C C -2.142 11.724 -4.905 . . . 1.0 . . . . . . . . . . . . B . 9 HIS C . . . . . . . . . rr_1pbz 1 . 7 . 3286 . 2 1 10 HIS CA C -2.311 10.306 -4.220 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 7 . 3287 . 2 1 10 HIS CB C -1.761 8.996 -4.849 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 7 . 3288 . 2 1 10 HIS CD2 C -1.939 7.626 -2.557 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 7 . 3289 . 2 1 10 HIS CE1 C -1.544 5.622 -3.340 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 7 . 3290 . 2 1 10 HIS CG C -1.699 7.726 -3.934 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 7 . 3291 . 2 1 10 HIS H H -4.268 9.364 -4.631 . . . 1.0 . . . . . . . . . . . . B . 9 HIS H . . . . . . . . . rr_1pbz 1 . 7 . 3292 . 2 1 10 HIS HA H -1.760 10.391 -3.263 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 7 . 3293 . 2 1 10 HIS HB2 H -2.362 8.769 -5.755 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3294 . 2 1 10 HIS HB3 H -0.755 9.206 -5.238 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3295 . 2 1 10 HIS HD1 H -1.456 6.207 -5.479 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 7 . 3296 . 2 1 10 HIS HD2 H -2.250 8.446 -1.910 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 7 . 3297 . 2 1 10 HIS HE1 H -1.438 4.547 -3.437 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 7 . 3298 . 2 1 10 HIS N N -3.746 9.998 -3.975 . . . 1.0 . . . . . . . . . . . . B . 9 HIS N . . . . . . . . . rr_1pbz 1 . 7 . 3299 . 2 1 10 HIS ND1 N -1.520 6.453 -4.482 . . . 1.0 . . . . . . . . . . . . B . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 7 . 3300 . 2 1 10 HIS NE2 N -1.722 6.335 -2.199 . . . 1.0 . . . . . . . . . . . . B . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 7 . 3301 . 2 1 10 HIS O O -1.307 12.514 -4.454 . . . 1.0 . . . . . . . . . . . . B . 9 HIS O . . . . . . . . . rr_1pbz 1 . 7 . 3302 . 2 1 11 ALA C C -3.694 14.496 -5.346 . . . 1.0 . . . . . . . . . . . . B . 10 ALA C . . . . . . . . . rr_1pbz 1 . 7 . 3303 . 2 1 11 ALA CA C -3.187 13.446 -6.408 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 7 . 3304 . 2 1 11 ALA CB C -4.227 13.240 -7.538 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 7 . 3305 . 2 1 11 ALA H H -3.360 11.294 -6.463 . . . 1.0 . . . . . . . . . . . . B . 10 ALA H . . . . . . . . . rr_1pbz 1 . 7 . 3306 . 2 1 11 ALA HA H -2.243 13.831 -6.827 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 7 . 3307 . 2 1 11 ALA HB1 H -5.183 12.826 -7.151 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 7 . 3308 . 2 1 11 ALA HB2 H -3.881 12.545 -8.325 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3309 . 2 1 11 ALA HB3 H -4.488 14.194 -8.029 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3310 . 2 1 11 ALA N N -2.993 12.066 -5.896 . . . 1.0 . . . . . . . . . . . . B . 10 ALA N . . . . . . . . . rr_1pbz 1 . 7 . 3311 . 2 1 11 ALA O O -3.076 15.555 -5.186 . . . 1.0 . . . . . . . . . . . . B . 10 ALA O . . . . . . . . . rr_1pbz 1 . 7 . 3312 . 2 1 12 LYS C C -4.092 15.325 -2.387 . . . 1.0 . . . . . . . . . . . . B . 11 LYS C . . . . . . . . . rr_1pbz 1 . 7 . 3313 . 2 1 12 LYS CA C -5.226 15.029 -3.425 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 7 . 3314 . 2 1 12 LYS CB C -6.496 14.360 -2.826 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 7 . 3315 . 2 1 12 LYS CD C -6.619 14.881 -0.265 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 7 . 3316 . 2 1 12 LYS CE C -5.956 16.139 0.344 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 7 . 3317 . 2 1 12 LYS CG C -7.231 15.107 -1.676 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 7 . 3318 . 2 1 12 LYS H H -4.968 13.161 -4.635 . . . 1.0 . . . . . . . . . . . . B . 11 LYS H . . . . . . . . . rr_1pbz 1 . 7 . 3319 . 2 1 12 LYS HA H -5.528 16.020 -3.820 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 7 . 3320 . 2 1 12 LYS HB2 H -7.217 14.233 -3.656 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3321 . 2 1 12 LYS HB3 H -6.254 13.325 -2.514 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3322 . 2 1 12 LYS HD2 H -7.407 14.522 0.426 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 7 . 3323 . 2 1 12 LYS HD3 H -5.907 14.030 -0.309 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 7 . 3324 . 2 1 12 LYS HE2 H -5.645 16.842 -0.466 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 7 . 3325 . 2 1 12 LYS HE3 H -6.703 16.745 0.903 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 7 . 3326 . 2 1 12 LYS HG2 H -7.320 16.187 -1.930 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 7 . 3327 . 2 1 12 LYS HG3 H -8.283 14.759 -1.662 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 7 . 3328 . 2 1 12 LYS HZ1 H -4.121 15.120 0.711 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 7 . 3329 . 2 1 12 LYS HZ2 H -4.170 16.545 1.455 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 7 . 3330 . 2 1 12 LYS HZ3 H -4.987 15.240 2.055 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 7 . 3331 . 2 1 12 LYS N N -4.776 14.180 -4.587 . . . 1.0 . . . . . . . . . . . . B . 11 LYS N . . . . . . . . . rr_1pbz 1 . 7 . 3332 . 2 1 12 LYS NZ N -4.779 15.755 1.191 . . . 1.0 . . . . . . . . . . . . B . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 7 . 3333 . 2 1 12 LYS O O -3.890 16.463 -1.967 . . . 1.0 . . . . . . . . . . . . B . 11 LYS O . . . . . . . . . rr_1pbz 1 . 7 . 3334 . 2 1 13 ALA C C -1.089 15.434 -1.917 . . . 1.0 . . . . . . . . . . . . B . 12 ALA C . . . . . . . . . rr_1pbz 1 . 7 . 3335 . 2 1 13 ALA CA C -2.077 14.421 -1.240 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 7 . 3336 . 2 1 13 ALA CB C -1.532 12.994 -1.048 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 7 . 3337 . 2 1 13 ALA H H -3.747 13.394 -2.276 . . . 1.0 . . . . . . . . . . . . B . 12 ALA H . . . . . . . . . rr_1pbz 1 . 7 . 3338 . 2 1 13 ALA HA H -2.326 14.815 -0.246 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 7 . 3339 . 2 1 13 ALA HB1 H -2.265 12.352 -0.531 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 7 . 3340 . 2 1 13 ALA HB2 H -0.629 13.010 -0.415 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3341 . 2 1 13 ALA HB3 H -1.269 12.509 -2.000 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3342 . 2 1 13 ALA N N -3.348 14.288 -1.984 . . . 1.0 . . . . . . . . . . . . B . 12 ALA N . . . . . . . . . rr_1pbz 1 . 7 . 3343 . 2 1 13 ALA O O -0.989 16.565 -1.478 . . . 1.0 . . . . . . . . . . . . B . 12 ALA O . . . . . . . . . rr_1pbz 1 . 7 . 3344 . 2 1 14 ALA C C -0.211 17.570 -4.096 . . . 1.0 . . . . . . . . . . . . B . 13 ALA C . . . . . . . . . rr_1pbz 1 . 7 . 3345 . 2 1 14 ALA CA C 0.315 16.081 -3.888 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 7 . 3346 . 2 1 14 ALA CB C 0.484 15.293 -5.195 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 7 . 3347 . 2 1 14 ALA H H -0.552 14.111 -3.173 . . . 1.0 . . . . . . . . . . . . B . 13 ALA H . . . . . . . . . rr_1pbz 1 . 7 . 3348 . 2 1 14 ALA HA H 1.317 16.209 -3.440 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 7 . 3349 . 2 1 14 ALA HB1 H 1.106 15.848 -5.914 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 7 . 3350 . 2 1 14 ALA HB2 H -0.496 15.097 -5.671 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3351 . 2 1 14 ALA HB3 H 0.970 14.312 -5.023 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3352 . 2 1 14 ALA N N -0.451 15.111 -3.030 . . . 1.0 . . . . . . . . . . . . B . 13 ALA N . . . . . . . . . rr_1pbz 1 . 7 . 3353 . 2 1 14 ALA O O 0.573 18.487 -4.349 . . . 1.0 . . . . . . . . . . . . B . 13 ALA O . . . . . . . . . rr_1pbz 1 . 7 . 3354 . 2 1 15 GLU C C -2.135 19.663 -2.382 . . . 1.0 . . . . . . . . . . . . B . 14 GLU C . . . . . . . . . rr_1pbz 1 . 7 . 3355 . 2 1 15 GLU CA C -2.220 19.084 -3.855 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 7 . 3356 . 2 1 15 GLU CB C -3.646 18.876 -4.472 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 7 . 3357 . 2 1 15 GLU CD C -5.749 19.733 -3.073 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 7 . 3358 . 2 1 15 GLU CG C -4.762 19.944 -4.225 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 7 . 3359 . 2 1 15 GLU H H -1.949 16.863 -3.694 . . . 1.0 . . . . . . . . . . . . B . 14 GLU H . . . . . . . . . rr_1pbz 1 . 7 . 3360 . 2 1 15 GLU HA H -1.702 19.825 -4.495 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 7 . 3361 . 2 1 15 GLU HB2 H -3.507 18.775 -5.566 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3362 . 2 1 15 GLU HB3 H -4.056 17.892 -4.177 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3363 . 2 1 15 GLU HG2 H -4.325 20.950 -4.100 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 7 . 3364 . 2 1 15 GLU HG3 H -5.402 20.024 -5.118 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 7 . 3365 . 2 1 15 GLU N N -1.531 17.761 -3.979 . . . 1.0 . . . . . . . . . . . . B . 14 GLU N . . . . . . . . . rr_1pbz 1 . 7 . 3366 . 2 1 15 GLU O O -1.318 20.553 -2.126 . . . 1.0 . . . . . . . . . . . . B . 14 GLU O . . . . . . . . . rr_1pbz 1 . 7 . 3367 . 2 1 15 GLU OE1 O -5.889 18.597 -2.555 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 7 . 3368 . 2 1 15 GLU OE2 O -6.396 20.717 -2.671 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 7 . 3369 . 2 1 16 ALA C C -2.064 18.814 1.039 . . . 1.0 . . . . . . . . . . . . B . 15 ALA C . . . . . . . . . rr_1pbz 1 . 7 . 3370 . 2 1 16 ALA CA C -2.922 19.646 0.009 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 7 . 3371 . 2 1 16 ALA CB C -4.393 19.759 0.432 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 7 . 3372 . 2 1 16 ALA H H -3.708 18.609 -1.829 . . . 1.0 . . . . . . . . . . . . B . 15 ALA H . . . . . . . . . rr_1pbz 1 . 7 . 3373 . 2 1 16 ALA HA H -2.500 20.671 0.047 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 7 . 3374 . 2 1 16 ALA HB1 H -4.904 18.785 0.405 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 7 . 3375 . 2 1 16 ALA HB2 H -4.954 20.431 -0.248 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3376 . 2 1 16 ALA HB3 H -4.488 20.169 1.453 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3377 . 2 1 16 ALA N N -2.944 19.176 -1.418 . . . 1.0 . . . . . . . . . . . . B . 15 ALA N . . . . . . . . . rr_1pbz 1 . 7 . 3378 . 2 1 16 ALA O O -1.580 19.354 2.036 . . . 1.0 . . . . . . . . . . . . B . 15 ALA O . . . . . . . . . rr_1pbz 1 . 7 . 3379 . 2 1 17 GLY C C 0.462 16.803 0.995 . . . 1.0 . . . . . . . . . . . . B . 16 GLY C . . . . . . . . . rr_1pbz 1 . 7 . 3380 . 2 1 17 GLY CA C -0.973 16.609 1.545 . . . 1.0 . . . . . . . . . . . . B . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 7 . 3381 . 2 1 17 GLY H H -2.150 17.339 -0.152 . . . 1.0 . . . . . . . . . . . . B . 16 GLY H . . . . . . . . . rr_1pbz 1 . 7 . 3382 . 2 1 17 GLY HA2 H -0.971 16.720 2.625 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 7 . 3383 . 2 1 17 GLY HA3 H -1.260 15.554 1.346 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 7 . 3384 . 2 1 17 GLY N N -1.971 17.487 0.853 . . . 1.0 . . . . . . . . . . . . B . 16 GLY N . . . . . . . . . rr_1pbz 1 . 7 . 3385 . 2 1 17 GLY O O 1.023 17.898 1.045 . . . 1.0 . . . . . . . . . . . . B . 16 GLY O . . . . . . . . . rr_1pbz 1 . 7 . 3386 . 2 1 18 CYS C C 2.568 14.556 -1.290 . . . 1.0 . . . . . . . . . . . . B . 17 CYS C . . . . . . . . . rr_1pbz 1 . 7 . 3387 . 2 1 18 CYS CA C 2.273 15.798 -0.376 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 7 . 3388 . 2 1 18 CYS CB C 3.487 16.075 0.549 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 7 . 3389 . 2 1 18 CYS H H 0.559 14.843 0.631 . . . 1.0 . . . . . . . . . . . . B . 17 CYS H . . . . . . . . . rr_1pbz 1 . 7 . 3390 . 2 1 18 CYS HA H 2.055 16.616 -1.117 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 7 . 3391 . 2 1 18 CYS HB2 H 4.387 16.259 -0.057 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 7 . 3392 . 2 1 18 CYS HB3 H 3.320 16.979 1.161 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 7 . 3393 . 2 1 18 CYS N N 1.048 15.720 0.457 . . . 1.0 . . . . . . . . . . . . B . 17 CYS N . . . . . . . . . rr_1pbz 1 . 7 . 3394 . 2 1 18 CYS O O 3.105 14.682 -2.387 . . . 1.0 . . . . . . . . . . . . B . 17 CYS O . . . . . . . . . rr_1pbz 1 . 7 . 3395 . 2 1 18 CYS SG S 3.770 14.664 1.648 . . . 1.0 . . . . . . . . . . . . B . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 7 . 3396 . 2 1 19 NH2 HN1 H 2.713 12.632 -1.557 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 7 . 3397 . 2 1 19 NH2 HN2 H 2.006 13.202 0.051 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 7 . 3398 . 2 1 19 NH2 N N 2.298 13.318 -0.923 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 7 . 3399 . 3 2 1 PC3 C C 2.259 7.764 0.129 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C . . . . . . . . . rr_1pbz 1 . 7 . 3400 . 3 2 1 PC3 C1 C 1.349 8.806 0.571 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C1 . . . . . . . . . rr_1pbz 1 . 7 . 3401 . 3 2 1 PC3 C10 C 3.198 2.740 -1.723 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C10 . . . . . . . . . rr_1pbz 1 . 7 . 3402 . 3 2 1 PC3 C11 C -4.654 0.947 -1.267 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C11 . . . . . . . . . rr_1pbz 1 . 7 . 3403 . 3 2 1 PC3 C12 C -3.849 10.603 1.714 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C12 . . . . . . . . . rr_1pbz 1 . 7 . 3404 . 3 2 1 PC3 C14 C 3.791 7.704 0.259 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C14 . . . . . . . . . rr_1pbz 1 . 7 . 3405 . 3 2 1 PC3 C15 C 4.213 6.743 1.403 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C15 . . . . . . . . . rr_1pbz 1 . 7 . 3406 . 3 2 1 PC3 C16 C 0.693 0.721 -2.282 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C16 . . . . . . . . . rr_1pbz 1 . 7 . 3407 . 3 2 1 PC3 C17 C 1.231 -0.447 -1.432 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C17 . . . . . . . . . rr_1pbz 1 . 7 . 3408 . 3 2 1 PC3 C18 C -6.665 3.126 0.213 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C18 . . . . . . . . . rr_1pbz 1 . 7 . 3409 . 3 2 1 PC3 C19 C -6.833 3.561 1.692 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C19 . . . . . . . . . rr_1pbz 1 . 7 . 3410 . 3 2 1 PC3 C2 C -3.705 9.097 1.401 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2 . . . . . . . . . rr_1pbz 1 . 7 . 3411 . 3 2 1 PC3 C21 C 5.601 6.140 1.296 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C21 . . . . . . . . . rr_1pbz 1 . 7 . 3412 . 3 2 1 PC3 C22 C -2.094 12.432 2.245 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C22 . . . . . . . . . rr_1pbz 1 . 7 . 3413 . 3 2 1 PC3 C23 C -5.595 3.419 2.573 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C23 . . . . . . . . . rr_1pbz 1 . 7 . 3414 . 3 2 1 PC3 C24 C 1.025 -1.789 -2.123 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C24 . . . . . . . . . rr_1pbz 1 . 7 . 3415 . 3 2 1 PC3 C2A C 0.046 8.196 0.556 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2A . . . . . . . . . rr_1pbz 1 . 7 . 3416 . 3 2 1 PC3 C2C C 1.390 6.648 -0.118 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2C . . . . . . . . . rr_1pbz 1 . 7 . 3417 . 3 2 1 PC3 C3 C -4.811 8.159 1.255 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C3 . . . . . . . . . rr_1pbz 1 . 7 . 3418 . 3 2 1 PC3 C4 C -5.267 3.363 -0.323 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4 . . . . . . . . . rr_1pbz 1 . 7 . 3419 . 3 2 1 PC3 C4A C -4.210 6.961 0.772 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4A . . . . . . . . . rr_1pbz 1 . 7 . 3420 . 3 2 1 PC3 C4C C -2.552 8.345 0.985 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4C . . . . . . . . . rr_1pbz 1 . 7 . 3421 . 3 2 1 PC3 C5 C -4.365 2.369 -0.842 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C5 . . . . . . . . . rr_1pbz 1 . 7 . 3422 . 3 2 1 PC3 C6 C 0.625 2.073 -1.565 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6 . . . . . . . . . rr_1pbz 1 . 7 . 3423 . 3 2 1 PC3 C6A C -3.098 2.967 -0.767 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6A . . . . . . . . . rr_1pbz 1 . 7 . 3424 . 3 2 1 PC3 C6C C -4.450 4.482 -0.049 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6C . . . . . . . . . rr_1pbz 1 . 7 . 3425 . 3 2 1 PC3 C7 C 1.728 2.981 -1.373 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C7 . . . . . . . . . rr_1pbz 1 . 7 . 3426 . 3 2 1 PC3 C8 C -6.304 8.387 1.534 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8 . . . . . . . . . rr_1pbz 1 . 7 . 3427 . 3 2 1 PC3 C8A C 1.122 4.173 -0.887 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8A . . . . . . . . . rr_1pbz 1 . 7 . 3428 . 3 2 1 PC3 C8C C -0.524 2.809 -1.138 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8C . . . . . . . . . rr_1pbz 1 . 7 . 3429 . 3 2 1 PC3 C9 C 1.744 10.188 1.082 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C9 . . . . . . . . . rr_1pbz 1 . 7 . 3430 . 3 2 1 PC3 CA C -1.191 8.860 0.935 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CA . . . . . . . . . rr_1pbz 1 . 7 . 3431 . 3 2 1 PC3 CB C -4.939 5.742 0.463 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CB . . . . . . . . . rr_1pbz 1 . 7 . 3432 . 3 2 1 PC3 CC C -1.879 2.298 -1.135 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CC . . . . . . . . . rr_1pbz 1 . 7 . 3433 . 3 2 1 PC3 CD C 1.856 5.368 -0.590 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CD . . . . . . . . . rr_1pbz 1 . 7 . 3434 . 3 2 1 PC3 CO3 Co -1.577 5.556 -0.045 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CO3 . . . . . . . . . rr_1pbz 1 . 7 . 3435 . 3 2 1 PC3 CX5 C -2.906 11.248 2.772 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CX5 . . . . . . . . . rr_1pbz 1 . 7 . 3436 . 3 2 1 PC3 H101 H 3.558 3.428 -2.510 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H101 . . . . . . . . . rr_1pbz 1 . 7 . 3437 . 3 2 1 PC3 H102 H 3.862 2.885 -0.847 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H102 . . . . . . . . . rr_1pbz 1 . 7 . 3438 . 3 2 1 PC3 H103 H 3.387 1.714 -2.093 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H103 . . . . . . . . . rr_1pbz 1 . 7 . 3439 . 3 2 1 PC3 H111 H -5.369 0.911 -2.109 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H111 . . . . . . . . . rr_1pbz 1 . 7 . 3440 . 3 2 1 PC3 H112 H -3.737 0.408 -1.568 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H112 . . . . . . . . . rr_1pbz 1 . 7 . 3441 . 3 2 1 PC3 H113 H -5.107 0.378 -0.432 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H113 . . . . . . . . . rr_1pbz 1 . 7 . 3442 . 3 2 1 PC3 H121 H -4.883 10.812 2.044 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H121 . . . . . . . . . rr_1pbz 1 . 7 . 3443 . 3 2 1 PC3 H122 H -3.786 11.155 0.756 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H122 . . . . . . . . . rr_1pbz 1 . 7 . 3444 . 3 2 1 PC3 H141 H 4.238 7.362 -0.696 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H141 . . . . . . . . . rr_1pbz 1 . 7 . 3445 . 3 2 1 PC3 H142 H 4.238 8.701 0.433 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H142 . . . . . . . . . rr_1pbz 1 . 7 . 3446 . 3 2 1 PC3 H151 H 3.548 5.875 1.475 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H151 . . . . . . . . . rr_1pbz 1 . 7 . 3447 . 3 2 1 PC3 H152 H 4.092 7.204 2.388 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H152 . . . . . . . . . rr_1pbz 1 . 7 . 3448 . 3 2 1 PC3 H161 H 1.320 0.804 -3.191 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H161 . . . . . . . . . rr_1pbz 1 . 7 . 3449 . 3 2 1 PC3 H162 H -0.303 0.446 -2.677 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H162 . . . . . . . . . rr_1pbz 1 . 7 . 3450 . 3 2 1 PC3 H171 H 0.729 -0.516 -0.456 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H171 . . . . . . . . . rr_1pbz 1 . 7 . 3451 . 3 2 1 PC3 H172 H 2.307 -0.327 -1.215 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H172 . . . . . . . . . rr_1pbz 1 . 7 . 3452 . 3 2 1 PC3 H181 H -7.414 3.633 -0.422 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H181 . . . . . . . . . rr_1pbz 1 . 7 . 3453 . 3 2 1 PC3 H182 H -6.901 2.050 0.136 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H182 . . . . . . . . . rr_1pbz 1 . 7 . 3454 . 3 2 1 PC3 H191 H -7.662 3.000 2.159 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H191 . . . . . . . . . rr_1pbz 1 . 7 . 3455 . 3 2 1 PC3 H192 H -7.162 4.616 1.721 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H192 . . . . . . . . . rr_1pbz 1 . 7 . 3456 . 3 2 1 PC3 H221 H -2.213 10.518 3.226 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H221 . . . . . . . . . rr_1pbz 1 . 7 . 3457 . 3 2 1 PC3 H222 H -3.497 11.627 3.626 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H222 . . . . . . . . . rr_1pbz 1 . 7 . 3458 . 3 2 1 PC3 H81 H -6.586 9.454 1.547 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H81 . . . . . . . . . rr_1pbz 1 . 7 . 3459 . 3 2 1 PC3 H82 H -6.597 7.957 2.511 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H82 . . . . . . . . . rr_1pbz 1 . 7 . 3460 . 3 2 1 PC3 H83 H -6.948 7.901 0.774 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H83 . . . . . . . . . rr_1pbz 1 . 7 . 3461 . 3 2 1 PC3 H91 H 1.861 10.195 2.182 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H91 . . . . . . . . . rr_1pbz 1 . 7 . 3462 . 3 2 1 PC3 H92 H 0.993 10.964 0.835 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H92 . . . . . . . . . rr_1pbz 1 . 7 . 3463 . 3 2 1 PC3 H93 H 2.705 10.533 0.655 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H93 . . . . . . . . . rr_1pbz 1 . 7 . 3464 . 3 2 1 PC3 HA H -1.077 9.899 1.225 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HA . . . . . . . . . rr_1pbz 1 . 7 . 3465 . 3 2 1 PC3 HB H -6.010 5.779 0.639 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HB . . . . . . . . . rr_1pbz 1 . 7 . 3466 . 3 2 1 PC3 HC H -1.998 1.271 -1.465 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HC . . . . . . . . . rr_1pbz 1 . 7 . 3467 . 3 2 1 PC3 HD H 2.929 5.304 -0.757 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HD . . . . . . . . . rr_1pbz 1 . 7 . 3468 . 3 2 1 PC3 N2B N 0.047 6.877 0.138 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N2B . . . . . . . . . rr_1pbz 1 . 7 . 3469 . 3 2 1 PC3 N4B N -2.843 7.038 0.615 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N4B . . . . . . . . . rr_1pbz 1 . 7 . 3470 . 3 2 1 PC3 N6B N -3.119 4.263 -0.305 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N6B . . . . . . . . . rr_1pbz 1 . 7 . 3471 . 3 2 1 PC3 N8B N -0.248 4.094 -0.718 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N8B . . . . . . . . . rr_1pbz 1 . 7 . 3472 . 3 2 1 PC3 O1 O 6.483 6.458 2.117 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O1 . . . . . . . . . rr_1pbz 1 . 7 . 3473 . 3 2 1 PC3 O2 O 5.766 5.262 0.425 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O2 . . . . . . . . . rr_1pbz 1 . 7 . 3474 . 3 2 1 PC3 O22 O -2.701 13.488 1.945 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O22 . . . . . . . . . rr_1pbz 1 . 7 . 3475 . 3 2 1 PC3 O23 O -5.137 2.292 2.844 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O23 . . . . . . . . . rr_1pbz 1 . 7 . 3476 . 3 2 1 PC3 O3 O -0.873 12.270 2.039 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O3 . . . . . . . . . rr_1pbz 1 . 7 . 3477 . 3 2 1 PC3 O4 O -4.930 4.454 2.828 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O4 . . . . . . . . . rr_1pbz 1 . 7 . 3478 . 3 2 1 PC3 O5 O -0.147 -2.121 -2.402 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O5 . . . . . . . . . rr_1pbz 1 . 7 . 3479 . 3 2 1 PC3 O6 O 2.013 -2.498 -2.369 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O6 . . . . . . . . . rr_1pbz 1 . 8 . 3480 . 1 1 2 CYS C C -3.527 -3.132 0.042 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . rr_1pbz 1 . 8 . 3481 . 1 1 2 CYS CA C -5.100 -3.162 0.036 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 8 . 3482 . 1 1 2 CYS CB C -5.695 -1.731 -0.034 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 8 . 3483 . 1 1 2 CYS H H -6.029 -3.373 2.102 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H . . . . . . . . . rr_1pbz 1 . 8 . 3484 . 1 1 2 CYS HA H -5.331 -3.649 -0.956 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 8 . 3485 . 1 1 2 CYS HB2 H -5.757 -1.220 0.948 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3486 . 1 1 2 CYS HB3 H -5.066 -1.061 -0.652 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3487 . 1 1 2 CYS N N -5.794 -3.834 1.198 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . rr_1pbz 1 . 8 . 3488 . 1 1 2 CYS O O -2.965 -2.764 -0.996 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . rr_1pbz 1 . 8 . 3489 . 1 1 2 CYS SG S -7.316 -1.735 -0.824 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 8 . 3490 . 1 1 3 GLY C C -0.802 -3.023 2.584 . . . 1.0 . . . . . . . . . . . . A . 2 GLY C . . . . . . . . . rr_1pbz 1 . 8 . 3491 . 1 1 3 GLY CA C -1.330 -3.277 1.161 . . . 1.0 . . . . . . . . . . . . A . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 8 . 3492 . 1 1 3 GLY H H -3.269 -3.907 1.923 . . . 1.0 . . . . . . . . . . . . A . 2 GLY H . . . . . . . . . rr_1pbz 1 . 8 . 3493 . 1 1 3 GLY HA2 H -0.792 -4.100 0.660 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 8 . 3494 . 1 1 3 GLY HA3 H -1.079 -2.376 0.563 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 8 . 3495 . 1 1 3 GLY N N -2.785 -3.521 1.106 . . . 1.0 . . . . . . . . . . . . A . 2 GLY N . . . . . . . . . rr_1pbz 1 . 8 . 3496 . 1 1 3 GLY O O -0.849 -1.888 3.050 . . . 1.0 . . . . . . . . . . . . A . 2 GLY O . . . . . . . . . rr_1pbz 1 . 8 . 3497 . 1 1 4 ALA C C 1.880 -3.108 4.366 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . rr_1pbz 1 . 8 . 3498 . 1 1 4 ALA CA C 0.479 -3.780 4.559 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 8 . 3499 . 1 1 4 ALA CB C 0.532 -5.097 5.313 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 8 . 3500 . 1 1 4 ALA H H -0.410 -4.987 2.955 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . rr_1pbz 1 . 8 . 3501 . 1 1 4 ALA HA H -0.106 -3.070 5.184 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 8 . 3502 . 1 1 4 ALA HB1 H 1.108 -5.852 4.751 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 8 . 3503 . 1 1 4 ALA HB2 H -0.489 -5.477 5.501 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3504 . 1 1 4 ALA HB3 H 1.019 -4.937 6.290 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3505 . 1 1 4 ALA N N -0.270 -4.033 3.293 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . rr_1pbz 1 . 8 . 3506 . 1 1 4 ALA O O 2.289 -2.317 5.214 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . rr_1pbz 1 . 8 . 3507 . 1 1 5 GLU C C 3.387 -1.092 2.479 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . rr_1pbz 1 . 8 . 3508 . 1 1 5 GLU CA C 3.785 -2.575 2.860 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 8 . 3509 . 1 1 5 GLU CB C 4.517 -3.285 1.723 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 8 . 3510 . 1 1 5 GLU CD C 6.634 -4.106 3.003 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 8 . 3511 . 1 1 5 GLU CG C 5.456 -4.466 2.113 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 8 . 3512 . 1 1 5 GLU H H 2.323 -4.234 2.754 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . rr_1pbz 1 . 8 . 3513 . 1 1 5 GLU HA H 4.512 -2.526 3.673 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 8 . 3514 . 1 1 5 GLU HB2 H 3.752 -3.589 0.990 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3515 . 1 1 5 GLU HB3 H 5.133 -2.508 1.243 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3516 . 1 1 5 GLU HG2 H 4.893 -5.272 2.612 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 8 . 3517 . 1 1 5 GLU HG3 H 5.888 -4.922 1.206 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 8 . 3518 . 1 1 5 GLU N N 2.614 -3.402 3.277 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . rr_1pbz 1 . 8 . 3519 . 1 1 5 GLU O O 4.081 -0.141 2.845 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . rr_1pbz 1 . 8 . 3520 . 1 1 5 GLU OE1 O 7.508 -3.322 2.589 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 8 . 3521 . 1 1 5 GLU OE2 O 6.695 -4.576 4.156 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 8 . 3522 . 1 1 6 ALA C C 1.281 1.129 2.964 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . rr_1pbz 1 . 8 . 3523 . 1 1 6 ALA CA C 1.623 0.449 1.600 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 8 . 3524 . 1 1 6 ALA CB C 0.328 0.260 0.798 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 8 . 3525 . 1 1 6 ALA H H 1.768 -1.793 1.617 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . rr_1pbz 1 . 8 . 3526 . 1 1 6 ALA HA H 2.283 1.167 1.036 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 8 . 3527 . 1 1 6 ALA HB1 H -0.148 1.228 0.588 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 8 . 3528 . 1 1 6 ALA HB2 H -0.427 -0.301 1.377 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3529 . 1 1 6 ALA HB3 H 0.492 -0.281 -0.146 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3530 . 1 1 6 ALA N N 2.255 -0.896 1.764 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . rr_1pbz 1 . 8 . 3531 . 1 1 6 ALA O O 1.683 2.272 3.129 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . rr_1pbz 1 . 8 . 3532 . 1 1 7 ALA C C 1.755 1.282 6.111 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_1pbz 1 . 8 . 3533 . 1 1 7 ALA CA C 0.430 0.978 5.314 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 8 . 3534 . 1 1 7 ALA CB C -0.292 -0.161 6.016 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 8 . 3535 . 1 1 7 ALA H H 0.282 -0.488 3.666 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_1pbz 1 . 8 . 3536 . 1 1 7 ALA HA H -0.260 1.869 5.333 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 8 . 3537 . 1 1 7 ALA HB1 H -0.524 0.133 7.051 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 8 . 3538 . 1 1 7 ALA HB2 H 0.363 -1.050 6.074 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3539 . 1 1 7 ALA HB3 H -1.221 -0.440 5.492 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3540 . 1 1 7 ALA N N 0.589 0.473 3.918 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_1pbz 1 . 8 . 3541 . 1 1 7 ALA O O 1.831 2.306 6.795 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_1pbz 1 . 8 . 3542 . 1 1 8 LYS C C 4.812 1.965 5.894 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1pbz 1 . 8 . 3543 . 1 1 8 LYS CA C 4.163 0.682 6.525 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 8 . 3544 . 1 1 8 LYS CB C 4.883 -0.675 6.297 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 8 . 3545 . 1 1 8 LYS CD C 6.704 -2.359 6.782 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 8 . 3546 . 1 1 8 LYS CE C 8.190 -2.717 6.598 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 8 . 3547 . 1 1 8 LYS CG C 6.349 -0.847 6.748 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 8 . 3548 . 1 1 8 LYS H H 2.595 -0.464 5.467 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1pbz 1 . 8 . 3549 . 1 1 8 LYS HA H 4.099 0.888 7.618 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 8 . 3550 . 1 1 8 LYS HB2 H 4.276 -1.463 6.790 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3551 . 1 1 8 LYS HB3 H 4.839 -0.924 5.219 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3552 . 1 1 8 LYS HD2 H 6.349 -2.767 7.750 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 8 . 3553 . 1 1 8 LYS HD3 H 6.095 -2.930 6.043 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 8 . 3554 . 1 1 8 LYS HE2 H 8.847 -2.031 7.178 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 8 . 3555 . 1 1 8 LYS HE3 H 8.368 -3.732 7.023 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 8 . 3556 . 1 1 8 LYS HG2 H 7.003 -0.281 6.056 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 8 . 3557 . 1 1 8 LYS HG3 H 6.508 -0.391 7.746 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 8 . 3558 . 1 1 8 LYS HZ1 H 7.883 -3.390 4.613 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 8 . 3559 . 1 1 8 LYS HZ2 H 9.443 -3.025 4.852 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 8 . 3560 . 1 1 8 LYS HZ3 H 8.283 -1.863 4.627 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 8 . 3561 . 1 1 8 LYS N N 2.785 0.405 6.015 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1pbz 1 . 8 . 3562 . 1 1 8 LYS NZ N 8.508 -2.723 5.142 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 8 . 3563 . 1 1 8 LYS O O 5.340 2.796 6.634 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1pbz 1 . 8 . 3564 . 1 1 9 ALA C C 4.126 4.657 4.355 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_1pbz 1 . 8 . 3565 . 1 1 9 ALA CA C 5.030 3.454 3.902 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 8 . 3566 . 1 1 9 ALA CB C 4.817 3.246 2.414 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 8 . 3567 . 1 1 9 ALA H H 4.432 1.328 4.032 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_1pbz 1 . 8 . 3568 . 1 1 9 ALA HA H 6.105 3.699 3.987 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 8 . 3569 . 1 1 9 ALA HB1 H 3.760 3.022 2.201 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 8 . 3570 . 1 1 9 ALA HB2 H 5.449 2.423 2.049 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3571 . 1 1 9 ALA HB3 H 5.087 4.180 1.889 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3572 . 1 1 9 ALA N N 4.730 2.157 4.563 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_1pbz 1 . 8 . 3573 . 1 1 9 ALA O O 4.633 5.755 4.550 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_1pbz 1 . 8 . 3574 . 1 1 10 HIS C C 2.323 5.963 6.578 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_1pbz 1 . 8 . 3575 . 1 1 10 HIS CA C 1.882 5.474 5.139 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 8 . 3576 . 1 1 10 HIS CB C 0.455 4.875 4.960 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 8 . 3577 . 1 1 10 HIS CD2 C 0.173 5.118 2.332 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 8 . 3578 . 1 1 10 HIS CE1 C -1.332 3.555 2.003 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 8 . 3579 . 1 1 10 HIS CG C -0.133 4.548 3.559 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 8 . 3580 . 1 1 10 HIS H H 2.464 3.505 4.286 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_1pbz 1 . 8 . 3581 . 1 1 10 HIS HA H 1.942 6.422 4.579 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 8 . 3582 . 1 1 10 HIS HB2 H 0.445 3.942 5.549 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3583 . 1 1 10 HIS HB3 H -0.252 5.538 5.472 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3584 . 1 1 10 HIS HD1 H -1.591 2.970 4.073 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 8 . 3585 . 1 1 10 HIS HD2 H 0.926 5.862 2.108 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 8 . 3586 . 1 1 10 HIS HE1 H -2.012 2.839 1.535 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 8 . 3587 . 1 1 10 HIS N N 2.796 4.469 4.514 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_1pbz 1 . 8 . 3588 . 1 1 10 HIS ND1 N -1.039 3.490 3.376 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 8 . 3589 . 1 1 10 HIS NE2 N -0.655 4.573 1.419 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 8 . 3590 . 1 1 10 HIS O O 2.511 7.174 6.744 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_1pbz 1 . 8 . 3591 . 1 1 11 ALA C C 4.675 6.081 8.686 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_1pbz 1 . 8 . 3592 . 1 1 11 ALA CA C 3.257 5.410 8.832 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 8 . 3593 . 1 1 11 ALA CB C 3.346 4.030 9.529 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 8 . 3594 . 1 1 11 ALA H H 1.907 4.273 7.656 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_1pbz 1 . 8 . 3595 . 1 1 11 ALA HA H 2.637 6.094 9.437 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 8 . 3596 . 1 1 11 ALA HB1 H 3.856 4.102 10.505 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 8 . 3597 . 1 1 11 ALA HB2 H 2.357 3.568 9.706 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3598 . 1 1 11 ALA HB3 H 3.932 3.302 8.929 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3599 . 1 1 11 ALA N N 2.546 5.073 7.571 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_1pbz 1 . 8 . 3600 . 1 1 11 ALA O O 4.933 7.123 9.297 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_1pbz 1 . 8 . 3601 . 1 1 12 LYS C C 6.851 7.581 6.995 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_1pbz 1 . 8 . 3602 . 1 1 12 LYS CA C 6.907 6.112 7.545 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 8 . 3603 . 1 1 12 LYS CB C 7.698 5.120 6.636 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 8 . 3604 . 1 1 12 LYS CD C 10.063 5.924 5.722 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 8 . 3605 . 1 1 12 LYS CE C 10.095 7.462 5.843 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 8 . 3606 . 1 1 12 LYS CG C 9.245 5.109 6.758 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 8 . 3607 . 1 1 12 LYS H H 5.090 4.822 7.223 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_1pbz 1 . 8 . 3608 . 1 1 12 LYS HA H 7.441 6.182 8.514 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 8 . 3609 . 1 1 12 LYS HB2 H 7.391 4.091 6.903 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3610 . 1 1 12 LYS HB3 H 7.374 5.223 5.582 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3611 . 1 1 12 LYS HD2 H 11.107 5.554 5.745 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 8 . 3612 . 1 1 12 LYS HD3 H 9.709 5.659 4.705 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 8 . 3613 . 1 1 12 LYS HE2 H 10.742 7.890 5.045 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 8 . 3614 . 1 1 12 LYS HE3 H 9.094 7.880 5.596 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 8 . 3615 . 1 1 12 LYS HG2 H 9.551 5.351 7.795 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 8 . 3616 . 1 1 12 LYS HG3 H 9.569 4.055 6.650 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 8 . 3617 . 1 1 12 LYS HZ1 H 11.514 7.664 7.474 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 8 . 3618 . 1 1 12 LYS HZ2 H 10.017 7.482 7.995 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 8 . 3619 . 1 1 12 LYS HZ3 H 10.426 8.888 7.437 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 8 . 3620 . 1 1 12 LYS N N 5.562 5.508 7.842 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_1pbz 1 . 8 . 3621 . 1 1 12 LYS NZ N 10.556 7.896 7.196 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 8 . 3622 . 1 1 12 LYS O O 7.596 8.455 7.450 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_1pbz 1 . 8 . 3623 . 1 1 13 ALA C C 5.089 10.104 6.783 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . rr_1pbz 1 . 8 . 3624 . 1 1 13 ALA CA C 5.589 9.216 5.594 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 8 . 3625 . 1 1 13 ALA CB C 4.576 9.043 4.447 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 8 . 3626 . 1 1 13 ALA H H 5.473 7.024 5.657 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . rr_1pbz 1 . 8 . 3627 . 1 1 13 ALA HA H 6.501 9.673 5.173 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 8 . 3628 . 1 1 13 ALA HB1 H 4.955 8.327 3.696 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 8 . 3629 . 1 1 13 ALA HB2 H 4.410 9.992 3.908 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3630 . 1 1 13 ALA HB3 H 3.600 8.660 4.791 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3631 . 1 1 13 ALA N N 5.948 7.851 6.037 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . rr_1pbz 1 . 8 . 3632 . 1 1 13 ALA O O 5.805 10.984 7.226 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . rr_1pbz 1 . 8 . 3633 . 1 1 14 ALA C C 4.518 10.774 9.809 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_1pbz 1 . 8 . 3634 . 1 1 14 ALA CA C 3.458 10.466 8.662 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 8 . 3635 . 1 1 14 ALA CB C 2.334 9.515 9.096 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 8 . 3636 . 1 1 14 ALA H H 3.444 9.144 6.817 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_1pbz 1 . 8 . 3637 . 1 1 14 ALA HA H 2.991 11.443 8.446 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 8 . 3638 . 1 1 14 ALA HB1 H 1.838 9.877 10.010 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 8 . 3639 . 1 1 14 ALA HB2 H 1.557 9.407 8.314 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3640 . 1 1 14 ALA HB3 H 2.729 8.503 9.305 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3641 . 1 1 14 ALA N N 3.917 9.859 7.361 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_1pbz 1 . 8 . 3642 . 1 1 14 ALA O O 4.356 11.712 10.591 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_1pbz 1 . 8 . 3643 . 1 1 15 GLU C C 7.769 11.298 9.972 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . rr_1pbz 1 . 8 . 3644 . 1 1 15 GLU CA C 6.834 10.201 10.639 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 8 . 3645 . 1 1 15 GLU CB C 7.443 8.778 10.892 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 8 . 3646 . 1 1 15 GLU CD C 9.895 8.129 10.259 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 8 . 3647 . 1 1 15 GLU CG C 8.936 8.634 11.331 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 8 . 3648 . 1 1 15 GLU H H 5.489 9.301 9.071 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . rr_1pbz 1 . 8 . 3649 . 1 1 15 GLU HA H 6.564 10.609 11.632 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 8 . 3650 . 1 1 15 GLU HB2 H 6.812 8.294 11.662 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3651 . 1 1 15 GLU HB3 H 7.283 8.127 10.010 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3652 . 1 1 15 GLU HG2 H 9.335 9.580 11.739 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 8 . 3653 . 1 1 15 GLU HG3 H 9.016 7.908 12.156 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 8 . 3654 . 1 1 15 GLU N N 5.579 9.960 9.859 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . rr_1pbz 1 . 8 . 3655 . 1 1 15 GLU O O 7.828 12.419 10.484 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . rr_1pbz 1 . 8 . 3656 . 1 1 15 GLU OE1 O 9.633 7.067 9.652 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 8 . 3657 . 1 1 15 GLU OE2 O 10.886 8.810 9.938 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 8 . 3658 . 1 1 16 ALA C C 8.708 12.736 6.859 . . . 1.0 . . . . . . . . . . . . A . 15 ALA C . . . . . . . . . rr_1pbz 1 . 8 . 3659 . 1 1 16 ALA CA C 9.325 12.041 8.133 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 8 . 3660 . 1 1 16 ALA CB C 10.683 11.398 7.805 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 8 . 3661 . 1 1 16 ALA H H 8.456 10.008 8.653 . . . 1.0 . . . . . . . . . . . . A . 15 ALA H . . . . . . . . . rr_1pbz 1 . 8 . 3662 . 1 1 16 ALA HA H 9.543 12.877 8.828 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 8 . 3663 . 1 1 16 ALA HB1 H 11.395 12.160 7.438 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 8 . 3664 . 1 1 16 ALA HB2 H 11.145 10.937 8.698 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3665 . 1 1 16 ALA HB3 H 10.592 10.637 7.013 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3666 . 1 1 16 ALA N N 8.487 11.016 8.859 . . . 1.0 . . . . . . . . . . . . A . 15 ALA N . . . . . . . . . rr_1pbz 1 . 8 . 3667 . 1 1 16 ALA O O 8.966 13.916 6.611 . . . 1.0 . . . . . . . . . . . . A . 15 ALA O . . . . . . . . . rr_1pbz 1 . 8 . 3668 . 1 1 17 GLY C C 5.899 13.339 5.444 . . . 1.0 . . . . . . . . . . . . A . 16 GLY C . . . . . . . . . rr_1pbz 1 . 8 . 3669 . 1 1 17 GLY CA C 7.118 12.534 4.925 . . . 1.0 . . . . . . . . . . . . A . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 8 . 3670 . 1 1 17 GLY H H 7.639 11.172 6.533 . . . 1.0 . . . . . . . . . . . . A . 16 GLY H . . . . . . . . . rr_1pbz 1 . 8 . 3671 . 1 1 17 GLY HA2 H 7.670 13.124 4.200 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 8 . 3672 . 1 1 17 GLY HA3 H 6.727 11.650 4.370 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 8 . 3673 . 1 1 17 GLY N N 7.985 11.985 6.011 . . . 1.0 . . . . . . . . . . . . A . 16 GLY N . . . . . . . . . rr_1pbz 1 . 8 . 3674 . 1 1 17 GLY O O 6.030 14.405 6.047 . . . 1.0 . . . . . . . . . . . . A . 16 GLY O . . . . . . . . . rr_1pbz 1 . 8 . 3675 . 1 1 18 CYS C C 3.076 14.747 5.871 . . . 1.0 . . . . . . . . . . . . A . 17 CYS C . . . . . . . . . rr_1pbz 1 . 8 . 3676 . 1 1 18 CYS CA C 3.447 13.246 5.818 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 8 . 3677 . 1 1 18 CYS CB C 2.470 12.655 4.756 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 8 . 3678 . 1 1 18 CYS H H 4.775 11.973 4.579 . . . 1.0 . . . . . . . . . . . . A . 17 CYS H . . . . . . . . . rr_1pbz 1 . 8 . 3679 . 1 1 18 CYS HA H 3.475 12.790 6.846 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 8 . 3680 . 1 1 18 CYS HB2 H 2.455 11.550 4.813 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3681 . 1 1 18 CYS HB3 H 1.419 12.935 4.979 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3682 . 1 1 18 CYS N N 4.702 12.816 5.158 . . . 1.0 . . . . . . . . . . . . A . 17 CYS N . . . . . . . . . rr_1pbz 1 . 8 . 3683 . 1 1 18 CYS O O 2.189 15.193 6.603 . . . 1.0 . . . . . . . . . . . . A . 17 CYS O . . . . . . . . . rr_1pbz 1 . 8 . 3684 . 1 1 18 CYS SG S 2.833 13.131 3.034 . . . 1.0 . . . . . . . . . . . . A . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 8 . 3685 . 1 1 19 NH2 HN1 H 4.545 15.069 4.502 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 8 . 3686 . 1 1 19 NH2 HN2 H 3.678 16.515 5.066 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 8 . 3687 . 1 1 19 NH2 N N 3.821 15.499 5.089 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 8 . 3688 . 2 1 2 CYS C C -6.321 0.309 -5.314 . . . 1.0 . . . . . . . . . . . . B . 1 CYS C . . . . . . . . . rr_1pbz 1 . 8 . 3689 . 2 1 2 CYS CA C -7.152 -0.567 -4.290 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 8 . 3690 . 2 1 2 CYS CB C -6.321 -1.773 -3.788 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 8 . 3691 . 2 1 2 CYS H H -8.563 -2.174 -5.036 . . . 1.0 . . . . . . . . . . . . B . 1 CYS H . . . . . . . . . rr_1pbz 1 . 8 . 3692 . 2 1 2 CYS HA H -7.312 0.110 -3.399 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 8 . 3693 . 2 1 2 CYS HB2 H -6.009 -2.440 -4.613 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3694 . 2 1 2 CYS HB3 H -5.375 -1.425 -3.323 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3695 . 2 1 2 CYS N N -8.441 -1.183 -4.771 . . . 1.0 . . . . . . . . . . . . B . 1 CYS N . . . . . . . . . rr_1pbz 1 . 8 . 3696 . 2 1 2 CYS O O -5.333 0.909 -4.890 . . . 1.0 . . . . . . . . . . . . B . 1 CYS O . . . . . . . . . rr_1pbz 1 . 8 . 3697 . 2 1 2 CYS SG S -7.190 -2.754 -2.542 . . . 1.0 . . . . . . . . . . . . B . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 8 . 3698 . 2 1 3 GLY C C -6.402 2.669 -7.871 . . . 1.0 . . . . . . . . . . . . B . 2 GLY C . . . . . . . . . rr_1pbz 1 . 8 . 3699 . 2 1 3 GLY CA C -5.907 1.227 -7.609 . . . 1.0 . . . . . . . . . . . . B . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 8 . 3700 . 2 1 3 GLY H H -7.562 -0.044 -6.873 . . . 1.0 . . . . . . . . . . . . B . 2 GLY H . . . . . . . . . rr_1pbz 1 . 8 . 3701 . 2 1 3 GLY HA2 H -4.838 1.291 -7.322 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 8 . 3702 . 2 1 3 GLY HA3 H -5.886 0.708 -8.583 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 8 . 3703 . 2 1 3 GLY N N -6.666 0.393 -6.626 . . . 1.0 . . . . . . . . . . . . B . 2 GLY N . . . . . . . . . rr_1pbz 1 . 8 . 3704 . 2 1 3 GLY O O -5.580 3.578 -7.942 . . . 1.0 . . . . . . . . . . . . B . 2 GLY O . . . . . . . . . rr_1pbz 1 . 8 . 3705 . 2 1 4 ALA C C -8.445 5.131 -6.987 . . . 1.0 . . . . . . . . . . . . B . 3 ALA C . . . . . . . . . rr_1pbz 1 . 8 . 3706 . 2 1 4 ALA CA C -8.265 4.263 -8.271 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 8 . 3707 . 2 1 4 ALA CB C -9.570 4.065 -9.038 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 8 . 3708 . 2 1 4 ALA H H -8.332 2.094 -7.968 . . . 1.0 . . . . . . . . . . . . B . 3 ALA H . . . . . . . . . rr_1pbz 1 . 8 . 3709 . 2 1 4 ALA HA H -7.572 4.845 -8.925 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 8 . 3710 . 2 1 4 ALA HB1 H -9.398 3.534 -9.991 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 8 . 3711 . 2 1 4 ALA HB2 H -10.017 5.047 -9.273 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3712 . 2 1 4 ALA HB3 H -10.303 3.496 -8.437 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3713 . 2 1 4 ALA N N -7.709 2.897 -8.077 . . . 1.0 . . . . . . . . . . . . B . 3 ALA N . . . . . . . . . rr_1pbz 1 . 8 . 3714 . 2 1 4 ALA O O -8.074 6.304 -7.046 . . . 1.0 . . . . . . . . . . . . B . 3 ALA O . . . . . . . . . rr_1pbz 1 . 8 . 3715 . 2 1 5 GLU C C -7.423 5.627 -4.039 . . . 1.0 . . . . . . . . . . . . B . 4 GLU C . . . . . . . . . rr_1pbz 1 . 8 . 3716 . 2 1 5 GLU CA C -8.883 5.364 -4.546 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 8 . 3717 . 2 1 5 GLU CB C -9.867 4.777 -3.512 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 8 . 3718 . 2 1 5 GLU CD C -11.512 6.851 -3.546 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 8 . 3719 . 2 1 5 GLU CG C -11.326 5.332 -3.618 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 8 . 3720 . 2 1 5 GLU H H -9.451 3.720 -5.909 . . . 1.0 . . . . . . . . . . . . B . 4 GLU H . . . . . . . . . rr_1pbz 1 . 8 . 3721 . 2 1 5 GLU HA H -9.230 6.381 -4.754 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 8 . 3722 . 2 1 5 GLU HB2 H -9.853 3.670 -3.572 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3723 . 2 1 5 GLU HB3 H -9.486 5.010 -2.501 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3724 . 2 1 5 GLU HG2 H -11.793 5.004 -4.562 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 8 . 3725 . 2 1 5 GLU HG3 H -11.953 4.909 -2.816 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 8 . 3726 . 2 1 5 GLU N N -8.956 4.615 -5.844 . . . 1.0 . . . . . . . . . . . . B . 4 GLU N . . . . . . . . . rr_1pbz 1 . 8 . 3727 . 2 1 5 GLU O O -7.139 6.679 -3.459 . . . 1.0 . . . . . . . . . . . . B . 4 GLU O . . . . . . . . . rr_1pbz 1 . 8 . 3728 . 2 1 5 GLU OE1 O -11.482 7.420 -2.436 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 8 . 3729 . 2 1 5 GLU OE2 O -11.666 7.485 -4.611 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 8 . 3730 . 2 1 6 ALA C C -4.637 6.208 -5.165 . . . 1.0 . . . . . . . . . . . . B . 5 ALA C . . . . . . . . . rr_1pbz 1 . 8 . 3731 . 2 1 6 ALA CA C -5.018 5.044 -4.203 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 8 . 3732 . 2 1 6 ALA CB C -4.196 3.844 -4.679 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 8 . 3733 . 2 1 6 ALA H H -6.877 3.918 -4.823 . . . 1.0 . . . . . . . . . . . . B . 5 ALA H . . . . . . . . . rr_1pbz 1 . 8 . 3734 . 2 1 6 ALA HA H -4.707 5.358 -3.172 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 8 . 3735 . 2 1 6 ALA HB1 H -4.515 3.538 -5.695 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 8 . 3736 . 2 1 6 ALA HB2 H -3.129 4.105 -4.802 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3737 . 2 1 6 ALA HB3 H -4.298 2.984 -4.014 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3738 . 2 1 6 ALA N N -6.470 4.712 -4.303 . . . 1.0 . . . . . . . . . . . . B . 5 ALA N . . . . . . . . . rr_1pbz 1 . 8 . 3739 . 2 1 6 ALA O O -4.045 7.172 -4.693 . . . 1.0 . . . . . . . . . . . . B . 5 ALA O . . . . . . . . . rr_1pbz 1 . 8 . 3740 . 2 1 7 ALA C C -5.125 8.634 -7.077 . . . 1.0 . . . . . . . . . . . . B . 6 ALA C . . . . . . . . . rr_1pbz 1 . 8 . 3741 . 2 1 7 ALA CA C -4.579 7.185 -7.432 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 8 . 3742 . 2 1 7 ALA CB C -5.134 6.727 -8.773 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 8 . 3743 . 2 1 7 ALA H H -5.537 5.338 -6.788 . . . 1.0 . . . . . . . . . . . . B . 6 ALA H . . . . . . . . . rr_1pbz 1 . 8 . 3744 . 2 1 7 ALA HA H -3.473 7.069 -7.470 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 8 . 3745 . 2 1 7 ALA HB1 H -6.239 6.696 -8.744 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 8 . 3746 . 2 1 7 ALA HB2 H -4.758 5.725 -9.036 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3747 . 2 1 7 ALA HB3 H -4.838 7.442 -9.556 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3748 . 2 1 7 ALA N N -4.962 6.139 -6.475 . . . 1.0 . . . . . . . . . . . . B . 6 ALA N . . . . . . . . . rr_1pbz 1 . 8 . 3749 . 2 1 7 ALA O O -4.378 9.611 -7.019 . . . 1.0 . . . . . . . . . . . . B . 6 ALA O . . . . . . . . . rr_1pbz 1 . 8 . 3750 . 2 1 8 LYS C C -6.561 10.403 -4.858 . . . 1.0 . . . . . . . . . . . . B . 7 LYS C . . . . . . . . . rr_1pbz 1 . 8 . 3751 . 2 1 8 LYS CA C -7.174 9.867 -6.203 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 8 . 3752 . 2 1 8 LYS CB C -8.646 9.355 -6.099 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 8 . 3753 . 2 1 8 LYS CD C -9.911 10.451 -4.124 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 8 . 3754 . 2 1 8 LYS CE C -10.194 11.860 -3.579 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 8 . 3755 . 2 1 8 LYS CG C -9.740 10.356 -5.664 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 8 . 3756 . 2 1 8 LYS H H -6.925 7.811 -6.965 . . . 1.0 . . . . . . . . . . . . B . 7 LYS H . . . . . . . . . rr_1pbz 1 . 8 . 3757 . 2 1 8 LYS HA H -7.145 10.708 -6.928 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 8 . 3758 . 2 1 8 LYS HB2 H -8.957 8.955 -7.085 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3759 . 2 1 8 LYS HB3 H -8.693 8.464 -5.437 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3760 . 2 1 8 LYS HD2 H -10.744 9.772 -3.835 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 8 . 3761 . 2 1 8 LYS HD3 H -9.059 9.989 -3.582 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 8 . 3762 . 2 1 8 LYS HE2 H -11.064 12.310 -4.109 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 8 . 3763 . 2 1 8 LYS HE3 H -10.517 11.766 -2.515 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 8 . 3764 . 2 1 8 LYS HG2 H -9.574 11.335 -6.151 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 8 . 3765 . 2 1 8 LYS HG3 H -10.710 10.005 -6.078 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 8 . 3766 . 2 1 8 LYS HZ1 H -8.629 12.760 -4.676 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 8 . 3767 . 2 1 8 LYS HZ2 H -9.001 13.626 -3.321 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 8 . 3768 . 2 1 8 LYS HZ3 H -8.145 12.209 -3.259 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 8 . 3769 . 2 1 8 LYS N N -6.446 8.707 -6.797 . . . 1.0 . . . . . . . . . . . . B . 7 LYS N . . . . . . . . . rr_1pbz 1 . 8 . 3770 . 2 1 8 LYS NZ N -8.954 12.676 -3.703 . . . 1.0 . . . . . . . . . . . . B . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 8 . 3771 . 2 1 8 LYS O O -6.385 11.617 -4.716 . . . 1.0 . . . . . . . . . . . . B . 7 LYS O . . . . . . . . . rr_1pbz 1 . 8 . 3772 . 2 1 9 ALA C C -3.992 10.496 -3.046 . . . 1.0 . . . . . . . . . . . . B . 8 ALA C . . . . . . . . . rr_1pbz 1 . 8 . 3773 . 2 1 9 ALA CA C -5.414 9.921 -2.692 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 8 . 3774 . 2 1 9 ALA CB C -5.161 8.654 -1.886 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 8 . 3775 . 2 1 9 ALA H H -6.555 8.566 -4.011 . . . 1.0 . . . . . . . . . . . . B . 8 ALA H . . . . . . . . . rr_1pbz 1 . 8 . 3776 . 2 1 9 ALA HA H -5.982 10.577 -1.999 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 8 . 3777 . 2 1 9 ALA HB1 H -4.559 7.929 -2.458 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 8 . 3778 . 2 1 9 ALA HB2 H -6.106 8.186 -1.579 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3779 . 2 1 9 ALA HB3 H -4.593 8.944 -0.984 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3780 . 2 1 9 ALA N N -6.249 9.539 -3.868 . . . 1.0 . . . . . . . . . . . . B . 8 ALA N . . . . . . . . . rr_1pbz 1 . 8 . 3781 . 2 1 9 ALA O O -3.487 11.418 -2.417 . . . 1.0 . . . . . . . . . . . . B . 8 ALA O . . . . . . . . . rr_1pbz 1 . 8 . 3782 . 2 1 10 HIS C C -1.927 11.760 -5.114 . . . 1.0 . . . . . . . . . . . . B . 9 HIS C . . . . . . . . . rr_1pbz 1 . 8 . 3783 . 2 1 10 HIS CA C -1.938 10.319 -4.462 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 8 . 3784 . 2 1 10 HIS CB C -1.401 9.068 -5.207 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 8 . 3785 . 2 1 10 HIS CD2 C -1.319 7.604 -2.981 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 8 . 3786 . 2 1 10 HIS CE1 C -0.998 5.650 -3.908 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 8 . 3787 . 2 1 10 HIS CG C -1.192 7.773 -4.369 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 8 . 3788 . 2 1 10 HIS H H -3.884 9.281 -4.654 . . . 1.0 . . . . . . . . . . . . B . 9 HIS H . . . . . . . . . rr_1pbz 1 . 8 . 3789 . 2 1 10 HIS HA H -1.291 10.427 -3.571 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 8 . 3790 . 2 1 10 HIS HB2 H -2.094 8.839 -6.042 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3791 . 2 1 10 HIS HB3 H -0.453 9.338 -5.691 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3792 . 2 1 10 HIS HD1 H -0.837 6.318 -5.984 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 8 . 3793 . 2 1 10 HIS HD2 H -1.548 8.388 -2.257 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 8 . 3794 . 2 1 10 HIS HE1 H -0.891 4.581 -4.075 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 8 . 3795 . 2 1 10 HIS N N -3.309 9.900 -4.041 . . . 1.0 . . . . . . . . . . . . B . 9 HIS N . . . . . . . . . rr_1pbz 1 . 8 . 3796 . 2 1 10 HIS ND1 N -1.041 6.536 -5.000 . . . 1.0 . . . . . . . . . . . . B . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 8 . 3797 . 2 1 10 HIS NE2 N -1.112 6.296 -2.718 . . . 1.0 . . . . . . . . . . . . B . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 8 . 3798 . 2 1 10 HIS O O -1.078 12.593 -4.780 . . . 1.0 . . . . . . . . . . . . B . 9 HIS O . . . . . . . . . rr_1pbz 1 . 8 . 3799 . 2 1 11 ALA C C -3.716 14.382 -5.198 . . . 1.0 . . . . . . . . . . . . B . 10 ALA C . . . . . . . . . rr_1pbz 1 . 8 . 3800 . 2 1 11 ALA CA C -3.280 13.437 -6.383 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 8 . 3801 . 2 1 11 ALA CB C -4.439 13.219 -7.380 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 8 . 3802 . 2 1 11 ALA H H -3.213 11.279 -6.556 . . . 1.0 . . . . . . . . . . . . B . 10 ALA H . . . . . . . . . rr_1pbz 1 . 8 . 3803 . 2 1 11 ALA HA H -2.421 13.913 -6.891 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 8 . 3804 . 2 1 11 ALA HB1 H -5.304 12.720 -6.898 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 8 . 3805 . 2 1 11 ALA HB2 H -4.143 12.594 -8.242 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3806 . 2 1 11 ALA HB3 H -4.811 14.181 -7.773 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3807 . 2 1 11 ALA N N -2.930 12.060 -5.961 . . . 1.0 . . . . . . . . . . . . B . 10 ALA N . . . . . . . . . rr_1pbz 1 . 8 . 3808 . 2 1 11 ALA O O -3.212 15.499 -5.115 . . . 1.0 . . . . . . . . . . . . B . 10 ALA O . . . . . . . . . rr_1pbz 1 . 8 . 3809 . 2 1 12 LYS C C -3.589 15.214 -2.224 . . . 1.0 . . . . . . . . . . . . B . 11 LYS C . . . . . . . . . rr_1pbz 1 . 8 . 3810 . 2 1 12 LYS CA C -4.864 14.709 -2.984 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 8 . 3811 . 2 1 12 LYS CB C -5.863 13.926 -2.091 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 8 . 3812 . 2 1 12 LYS CD C -6.476 16.043 -0.539 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 8 . 3813 . 2 1 12 LYS CE C -7.413 16.782 -1.519 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 8 . 3814 . 2 1 12 LYS CG C -6.311 14.511 -0.717 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 8 . 3815 . 2 1 12 LYS H H -4.692 12.919 -4.367 . . . 1.0 . . . . . . . . . . . . B . 11 LYS H . . . . . . . . . rr_1pbz 1 . 8 . 3816 . 2 1 12 LYS HA H -5.397 15.621 -3.282 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 8 . 3817 . 2 1 12 LYS HB2 H -6.752 13.725 -2.697 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3818 . 2 1 12 LYS HB3 H -5.427 12.928 -1.884 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3819 . 2 1 12 LYS HD2 H -6.798 16.239 0.504 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 8 . 3820 . 2 1 12 LYS HD3 H -5.458 16.479 -0.570 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 8 . 3821 . 2 1 12 LYS HE2 H -7.263 16.432 -2.564 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 8 . 3822 . 2 1 12 LYS HE3 H -8.481 16.572 -1.299 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 8 . 3823 . 2 1 12 LYS HG2 H -7.216 13.980 -0.365 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 8 . 3824 . 2 1 12 LYS HG3 H -5.543 14.181 0.021 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 8 . 3825 . 2 1 12 LYS HZ1 H -7.566 18.788 -0.723 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 8 . 3826 . 2 1 12 LYS HZ2 H -7.337 18.745 -2.363 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 8 . 3827 . 2 1 12 LYS HZ3 H -6.108 18.439 -1.415 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 8 . 3828 . 2 1 12 LYS N N -4.595 13.943 -4.261 . . . 1.0 . . . . . . . . . . . . B . 11 LYS N . . . . . . . . . rr_1pbz 1 . 8 . 3829 . 2 1 12 LYS NZ N -7.116 18.241 -1.462 . . . 1.0 . . . . . . . . . . . . B . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 8 . 3830 . 2 1 12 LYS O O -3.453 16.422 -1.964 . . . 1.0 . . . . . . . . . . . . B . 11 LYS O . . . . . . . . . rr_1pbz 1 . 8 . 3831 . 2 1 13 ALA C C -0.593 15.697 -2.390 . . . 1.0 . . . . . . . . . . . . B . 12 ALA C . . . . . . . . . rr_1pbz 1 . 8 . 3832 . 2 1 13 ALA CA C -1.279 14.585 -1.527 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 8 . 3833 . 2 1 13 ALA CB C -0.544 13.227 -1.443 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 8 . 3834 . 2 1 13 ALA H H -3.048 13.342 -1.863 . . . 1.0 . . . . . . . . . . . . B . 12 ALA H . . . . . . . . . rr_1pbz 1 . 8 . 3835 . 2 1 13 ALA HA H -1.367 14.969 -0.510 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 8 . 3836 . 2 1 13 ALA HB1 H -0.584 12.667 -2.392 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 8 . 3837 . 2 1 13 ALA HB2 H -0.993 12.579 -0.667 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3838 . 2 1 13 ALA HB3 H 0.522 13.354 -1.190 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3839 . 2 1 13 ALA N N -2.650 14.285 -1.980 . . . 1.0 . . . . . . . . . . . . B . 12 ALA N . . . . . . . . . rr_1pbz 1 . 8 . 3840 . 2 1 13 ALA O O -0.617 16.869 -2.007 . . . 1.0 . . . . . . . . . . . . B . 12 ALA O . . . . . . . . . rr_1pbz 1 . 8 . 3841 . 2 1 14 ALA C C -0.583 17.619 -4.961 . . . 1.0 . . . . . . . . . . . . B . 13 ALA C . . . . . . . . . rr_1pbz 1 . 8 . 3842 . 2 1 14 ALA CA C 0.319 16.370 -4.614 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 8 . 3843 . 2 1 14 ALA CB C 0.540 15.487 -5.859 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 8 . 3844 . 2 1 14 ALA H H -0.282 14.397 -3.827 . . . 1.0 . . . . . . . . . . . . B . 13 ALA H . . . . . . . . . rr_1pbz 1 . 8 . 3845 . 2 1 14 ALA HA H 1.295 16.784 -4.297 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 8 . 3846 . 2 1 14 ALA HB1 H 0.939 16.077 -6.703 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 8 . 3847 . 2 1 14 ALA HB2 H -0.410 15.036 -6.207 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3848 . 2 1 14 ALA HB3 H 1.250 14.658 -5.678 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3849 . 2 1 14 ALA N N -0.119 15.377 -3.596 . . . 1.0 . . . . . . . . . . . . B . 13 ALA N . . . . . . . . . rr_1pbz 1 . 8 . 3850 . 2 1 14 ALA O O -0.108 18.495 -5.690 . . . 1.0 . . . . . . . . . . . . B . 13 ALA O . . . . . . . . . rr_1pbz 1 . 8 . 3851 . 2 1 15 GLU C C -2.391 19.953 -3.464 . . . 1.0 . . . . . . . . . . . . B . 14 GLU C . . . . . . . . . rr_1pbz 1 . 8 . 3852 . 2 1 15 GLU CA C -2.676 18.957 -4.629 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 8 . 3853 . 2 1 15 GLU CB C -4.155 18.503 -4.806 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 8 . 3854 . 2 1 15 GLU CD C -6.652 19.164 -4.390 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 8 . 3855 . 2 1 15 GLU CG C -5.281 19.581 -4.916 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 8 . 3856 . 2 1 15 GLU H H -2.049 16.976 -3.739 . . . 1.0 . . . . . . . . . . . . B . 14 GLU H . . . . . . . . . rr_1pbz 1 . 8 . 3857 . 2 1 15 GLU HA H -2.397 19.479 -5.565 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 8 . 3858 . 2 1 15 GLU HB2 H -4.202 17.877 -5.718 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3859 . 2 1 15 GLU HB3 H -4.394 17.821 -3.976 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3860 . 2 1 15 GLU HG2 H -4.999 20.501 -4.373 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 8 . 3861 . 2 1 15 GLU HG3 H -5.410 19.903 -5.963 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 8 . 3862 . 2 1 15 GLU N N -1.821 17.737 -4.440 . . . 1.0 . . . . . . . . . . . . B . 14 GLU N . . . . . . . . . rr_1pbz 1 . 8 . 3863 . 2 1 15 GLU O O -1.872 21.048 -3.687 . . . 1.0 . . . . . . . . . . . . B . 14 GLU O . . . . . . . . . rr_1pbz 1 . 8 . 3864 . 2 1 15 GLU OE1 O -7.076 18.002 -4.576 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 8 . 3865 . 2 1 15 GLU OE2 O -7.244 19.927 -3.602 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 8 . 3866 . 2 1 16 ALA C C -1.026 19.633 -0.333 . . . 1.0 . . . . . . . . . . . . B . 15 ALA C . . . . . . . . . rr_1pbz 1 . 8 . 3867 . 2 1 16 ALA CA C -2.256 20.311 -1.019 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 8 . 3868 . 2 1 16 ALA CB C -3.501 20.264 -0.143 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 8 . 3869 . 2 1 16 ALA H H -3.044 18.589 -2.162 . . . 1.0 . . . . . . . . . . . . B . 15 ALA H . . . . . . . . . rr_1pbz 1 . 8 . 3870 . 2 1 16 ALA HA H -2.026 21.375 -1.239 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 8 . 3871 . 2 1 16 ALA HB1 H -3.738 19.214 0.122 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 8 . 3872 . 2 1 16 ALA HB2 H -4.357 20.733 -0.654 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3873 . 2 1 16 ALA HB3 H -3.290 20.809 0.791 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3874 . 2 1 16 ALA N N -2.704 19.563 -2.218 . . . 1.0 . . . . . . . . . . . . B . 15 ALA N . . . . . . . . . rr_1pbz 1 . 8 . 3875 . 2 1 16 ALA O O -1.053 19.436 0.882 . . . 1.0 . . . . . . . . . . . . B . 15 ALA O . . . . . . . . . rr_1pbz 1 . 8 . 3876 . 2 1 17 GLY C C 1.280 17.877 0.710 . . . 1.0 . . . . . . . . . . . . B . 16 GLY C . . . . . . . . . rr_1pbz 1 . 8 . 3877 . 2 1 17 GLY CA C 1.261 18.553 -0.690 . . . 1.0 . . . . . . . . . . . . B . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 8 . 3878 . 2 1 17 GLY H H -0.445 19.163 -1.876 . . . 1.0 . . . . . . . . . . . . B . 16 GLY H . . . . . . . . . rr_1pbz 1 . 8 . 3879 . 2 1 17 GLY HA2 H 1.429 17.800 -1.494 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 8 . 3880 . 2 1 17 GLY HA3 H 2.195 19.126 -0.771 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 8 . 3881 . 2 1 17 GLY N N 0.103 19.478 -1.053 . . . 1.0 . . . . . . . . . . . . B . 16 GLY N . . . . . . . . . rr_1pbz 1 . 8 . 3882 . 2 1 17 GLY O O 1.945 18.205 1.690 . . . 1.0 . . . . . . . . . . . . B . 16 GLY O . . . . . . . . . rr_1pbz 1 . 8 . 3883 . 2 1 18 CYS C C -0.515 16.724 3.116 . . . 1.0 . . . . . . . . . . . . B . 17 CYS C . . . . . . . . . rr_1pbz 1 . 8 . 3884 . 2 1 18 CYS CA C -0.260 16.090 1.691 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 8 . 3885 . 2 1 18 CYS CB C 0.487 14.740 1.792 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 8 . 3886 . 2 1 18 CYS H H 0.095 16.885 -0.384 . . . 1.0 . . . . . . . . . . . . B . 17 CYS H . . . . . . . . . rr_1pbz 1 . 8 . 3887 . 2 1 18 CYS HA H -1.292 15.911 1.250 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 8 . 3888 . 2 1 18 CYS HB2 H -0.111 14.017 2.378 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 8 . 3889 . 2 1 18 CYS HB3 H 0.640 14.270 0.809 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 8 . 3890 . 2 1 18 CYS N N 0.378 16.900 0.615 . . . 1.0 . . . . . . . . . . . . B . 17 CYS N . . . . . . . . . rr_1pbz 1 . 8 . 3891 . 2 1 18 CYS O O -0.202 16.177 4.171 . . . 1.0 . . . . . . . . . . . . B . 17 CYS O . . . . . . . . . rr_1pbz 1 . 8 . 3892 . 2 1 18 CYS SG S 2.093 14.936 2.590 . . . 1.0 . . . . . . . . . . . . B . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 8 . 3893 . 2 1 19 NH2 HN1 H -1.090 18.198 4.210 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 8 . 3894 . 2 1 19 NH2 HN2 H -1.105 18.452 2.394 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 8 . 3895 . 2 1 19 NH2 N N -1.142 17.869 3.243 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 8 . 3896 . 3 2 1 PC3 C C -0.084 1.561 -2.582 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C . . . . . . . . . rr_1pbz 1 . 8 . 3897 . 3 2 1 PC3 C1 C -1.520 1.432 -2.377 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C1 . . . . . . . . . rr_1pbz 1 . 8 . 3898 . 3 2 1 PC3 C10 C 4.596 4.290 -1.931 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C10 . . . . . . . . . rr_1pbz 1 . 8 . 3899 . 3 2 1 PC3 C11 C 0.694 10.486 1.344 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C11 . . . . . . . . . rr_1pbz 1 . 8 . 3900 . 3 2 1 PC3 C12 C -6.186 3.223 0.074 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C12 . . . . . . . . . rr_1pbz 1 . 8 . 3901 . 3 2 1 PC3 C14 C 0.745 0.805 -3.663 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C14 . . . . . . . . . rr_1pbz 1 . 8 . 3902 . 3 2 1 PC3 C15 C 1.586 1.616 -4.721 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C15 . . . . . . . . . rr_1pbz 1 . 8 . 3903 . 3 2 1 PC3 C16 C 4.623 7.247 -0.566 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C16 . . . . . . . . . rr_1pbz 1 . 8 . 3904 . 3 2 1 PC3 C17 C 4.582 8.245 0.620 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C17 . . . . . . . . . rr_1pbz 1 . 8 . 3905 . 3 2 1 PC3 C18 C -2.405 10.069 2.321 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C18 . . . . . . . . . rr_1pbz 1 . 8 . 3906 . 3 2 1 PC3 C19 C -3.830 10.495 1.938 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C19 . . . . . . . . . rr_1pbz 1 . 8 . 3907 . 3 2 1 PC3 C2 C -5.114 4.315 -0.149 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2 . . . . . . . . . rr_1pbz 1 . 8 . 3908 . 3 2 1 PC3 C21 C 1.089 2.998 -5.188 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C21 . . . . . . . . . rr_1pbz 1 . 8 . 3909 . 3 2 1 PC3 C22 C -4.861 2.084 2.055 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C22 . . . . . . . . . rr_1pbz 1 . 8 . 3910 . 3 2 1 PC3 C23 C -3.958 11.511 0.813 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C23 . . . . . . . . . rr_1pbz 1 . 8 . 3911 . 3 2 1 PC3 C24 C 5.910 8.556 1.286 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C24 . . . . . . . . . rr_1pbz 1 . 8 . 3912 . 3 2 1 PC3 C2A C -1.909 2.641 -1.719 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2A . . . . . . . . . rr_1pbz 1 . 8 . 3913 . 3 2 1 PC3 C2C C 0.230 2.818 -1.976 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2C . . . . . . . . . rr_1pbz 1 . 8 . 3914 . 3 2 1 PC3 C3 C -5.146 5.660 0.394 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C3 . . . . . . . . . rr_1pbz 1 . 8 . 3915 . 3 2 1 PC3 C4 C -1.658 9.225 1.299 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4 . . . . . . . . . rr_1pbz 1 . 8 . 3916 . 3 2 1 PC3 C4A C -3.794 6.104 0.316 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4A . . . . . . . . . rr_1pbz 1 . 8 . 3917 . 3 2 1 PC3 C4C C -3.764 4.140 -0.598 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4C . . . . . . . . . rr_1pbz 1 . 8 . 3918 . 3 2 1 PC3 C5 C -0.263 9.367 0.984 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C5 . . . . . . . . . rr_1pbz 1 . 8 . 3919 . 3 2 1 PC3 C6 C 3.363 6.392 -0.832 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6 . . . . . . . . . rr_1pbz 1 . 8 . 3920 . 3 2 1 PC3 C6A C 0.094 8.151 0.378 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6A . . . . . . . . . rr_1pbz 1 . 8 . 3921 . 3 2 1 PC3 C6C C -2.004 7.944 0.785 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6C . . . . . . . . . rr_1pbz 1 . 8 . 3922 . 3 2 1 PC3 C7 C 3.382 5.061 -1.409 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C7 . . . . . . . . . rr_1pbz 1 . 8 . 3923 . 3 2 1 PC3 C8 C -6.341 6.357 1.051 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8 . . . . . . . . . rr_1pbz 1 . 8 . 3924 . 3 2 1 PC3 C8A C 2.022 4.637 -1.395 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8A . . . . . . . . . rr_1pbz 1 . 8 . 3925 . 3 2 1 PC3 C8C C 1.972 6.628 -0.572 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8C . . . . . . . . . rr_1pbz 1 . 8 . 3926 . 3 2 1 PC3 C9 C -2.410 0.277 -2.832 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C9 . . . . . . . . . rr_1pbz 1 . 8 . 3927 . 3 2 1 PC3 CA C -3.262 2.965 -1.293 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CA . . . . . . . . . rr_1pbz 1 . 8 . 3928 . 3 2 1 PC3 CB C -3.324 7.376 0.840 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CB . . . . . . . . . rr_1pbz 1 . 8 . 3929 . 3 2 1 PC3 CC C 1.430 7.855 -0.037 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CC . . . . . . . . . rr_1pbz 1 . 8 . 3930 . 3 2 1 PC3 CD C 1.567 3.357 -1.873 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CD . . . . . . . . . rr_1pbz 1 . 8 . 3931 . 3 2 1 PC3 CO3 Co -0.909 5.367 -0.661 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CO3 . . . . . . . . . rr_1pbz 1 . 8 . 3932 . 3 2 1 PC3 CX5 C -6.200 2.589 1.506 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CX5 . . . . . . . . . rr_1pbz 1 . 8 . 3933 . 3 2 1 PC3 H101 H 4.812 3.393 -1.322 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H101 . . . . . . . . . rr_1pbz 1 . 8 . 3934 . 3 2 1 PC3 H102 H 5.520 4.899 -1.934 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H102 . . . . . . . . . rr_1pbz 1 . 8 . 3935 . 3 2 1 PC3 H103 H 4.445 3.956 -2.976 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H103 . . . . . . . . . rr_1pbz 1 . 8 . 3936 . 3 2 1 PC3 H111 H 1.564 10.537 0.662 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H111 . . . . . . . . . rr_1pbz 1 . 8 . 3937 . 3 2 1 PC3 H112 H 1.087 10.383 2.372 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H112 . . . . . . . . . rr_1pbz 1 . 8 . 3938 . 3 2 1 PC3 H113 H 0.191 11.472 1.292 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H113 . . . . . . . . . rr_1pbz 1 . 8 . 3939 . 3 2 1 PC3 H121 H -7.186 3.647 -0.141 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H121 . . . . . . . . . rr_1pbz 1 . 8 . 3940 . 3 2 1 PC3 H122 H -6.074 2.414 -0.669 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H122 . . . . . . . . . rr_1pbz 1 . 8 . 3941 . 3 2 1 PC3 H141 H 1.399 0.063 -3.169 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H141 . . . . . . . . . rr_1pbz 1 . 8 . 3942 . 3 2 1 PC3 H142 H 0.042 0.184 -4.251 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H142 . . . . . . . . . rr_1pbz 1 . 8 . 3943 . 3 2 1 PC3 H151 H 1.713 1.004 -5.632 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H151 . . . . . . . . . rr_1pbz 1 . 8 . 3944 . 3 2 1 PC3 H152 H 2.617 1.753 -4.352 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H152 . . . . . . . . . rr_1pbz 1 . 8 . 3945 . 3 2 1 PC3 H161 H 5.470 6.557 -0.380 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H161 . . . . . . . . . rr_1pbz 1 . 8 . 3946 . 3 2 1 PC3 H162 H 4.927 7.784 -1.485 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H162 . . . . . . . . . rr_1pbz 1 . 8 . 3947 . 3 2 1 PC3 H171 H 3.944 7.865 1.434 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H171 . . . . . . . . . rr_1pbz 1 . 8 . 3948 . 3 2 1 PC3 H172 H 4.155 9.210 0.298 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H172 . . . . . . . . . rr_1pbz 1 . 8 . 3949 . 3 2 1 PC3 H181 H -2.437 9.531 3.287 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H181 . . . . . . . . . rr_1pbz 1 . 8 . 3950 . 3 2 1 PC3 H182 H -1.821 10.986 2.533 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H182 . . . . . . . . . rr_1pbz 1 . 8 . 3951 . 3 2 1 PC3 H191 H -4.317 10.959 2.814 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H191 . . . . . . . . . rr_1pbz 1 . 8 . 3952 . 3 2 1 PC3 H192 H -4.448 9.614 1.696 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H192 . . . . . . . . . rr_1pbz 1 . 8 . 3953 . 3 2 1 PC3 H221 H -6.908 1.742 1.533 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H221 . . . . . . . . . rr_1pbz 1 . 8 . 3954 . 3 2 1 PC3 H222 H -6.603 3.319 2.232 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H222 . . . . . . . . . rr_1pbz 1 . 8 . 3955 . 3 2 1 PC3 H81 H -6.288 7.461 0.985 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H81 . . . . . . . . . rr_1pbz 1 . 8 . 3956 . 3 2 1 PC3 H82 H -6.423 6.090 2.120 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H82 . . . . . . . . . rr_1pbz 1 . 8 . 3957 . 3 2 1 PC3 H83 H -7.295 6.064 0.574 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H83 . . . . . . . . . rr_1pbz 1 . 8 . 3958 . 3 2 1 PC3 H91 H -2.918 0.507 -3.787 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H91 . . . . . . . . . rr_1pbz 1 . 8 . 3959 . 3 2 1 PC3 H92 H -1.835 -0.655 -2.988 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H92 . . . . . . . . . rr_1pbz 1 . 8 . 3960 . 3 2 1 PC3 H93 H -3.192 0.031 -2.088 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H93 . . . . . . . . . rr_1pbz 1 . 8 . 3961 . 3 2 1 PC3 HA H -3.995 2.188 -1.473 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HA . . . . . . . . . rr_1pbz 1 . 8 . 3962 . 3 2 1 PC3 HB H -4.073 7.992 1.325 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HB . . . . . . . . . rr_1pbz 1 . 8 . 3963 . 3 2 1 PC3 HC H 2.126 8.668 0.102 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HC . . . . . . . . . rr_1pbz 1 . 8 . 3964 . 3 2 1 PC3 HD H 2.346 2.715 -2.266 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HD . . . . . . . . . rr_1pbz 1 . 8 . 3965 . 3 2 1 PC3 N2B N -0.865 3.511 -1.507 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N2B . . . . . . . . . rr_1pbz 1 . 8 . 3966 . 3 2 1 PC3 N4B N -2.938 5.209 -0.306 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N4B . . . . . . . . . rr_1pbz 1 . 8 . 3967 . 3 2 1 PC3 N6B N -0.944 7.263 0.218 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N6B . . . . . . . . . rr_1pbz 1 . 8 . 3968 . 3 2 1 PC3 N8B N 1.146 5.561 -0.879 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N8B . . . . . . . . . rr_1pbz 1 . 8 . 3969 . 3 2 1 PC3 O1 O -0.003 3.068 -5.780 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O1 . . . . . . . . . rr_1pbz 1 . 8 . 3970 . 3 2 1 PC3 O2 O 1.644 4.023 -4.734 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O2 . . . . . . . . . rr_1pbz 1 . 8 . 3971 . 3 2 1 PC3 O22 O -4.250 2.786 2.889 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O22 . . . . . . . . . rr_1pbz 1 . 8 . 3972 . 3 2 1 PC3 O23 O -4.981 11.426 0.100 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O23 . . . . . . . . . rr_1pbz 1 . 8 . 3973 . 3 2 1 PC3 O3 O -4.280 1.164 1.441 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O3 . . . . . . . . . rr_1pbz 1 . 8 . 3974 . 3 2 1 PC3 O4 O -3.080 12.369 0.615 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O4 . . . . . . . . . rr_1pbz 1 . 8 . 3975 . 3 2 1 PC3 O5 O 6.172 9.743 1.553 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O5 . . . . . . . . . rr_1pbz 1 . 8 . 3976 . 3 2 1 PC3 O6 O 6.624 7.603 1.662 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O6 . . . . . . . . . rr_1pbz 1 . 9 . 3977 . 1 1 2 CYS C C -3.705 -3.114 0.027 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . rr_1pbz 1 . 9 . 3978 . 1 1 2 CYS CA C -5.278 -3.184 0.052 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 9 . 3979 . 1 1 2 CYS CB C -5.916 -1.771 -0.032 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 9 . 3980 . 1 1 2 CYS H H -6.141 -3.402 2.147 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H . . . . . . . . . rr_1pbz 1 . 9 . 3981 . 1 1 2 CYS HA H -5.514 -3.691 -0.929 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 9 . 3982 . 1 1 2 CYS HB2 H -6.058 -1.281 0.952 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 9 . 3983 . 1 1 2 CYS HB3 H -5.274 -1.072 -0.595 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 9 . 3984 . 1 1 2 CYS N N -5.926 -3.859 1.237 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . rr_1pbz 1 . 9 . 3985 . 1 1 2 CYS O O -3.179 -2.742 -1.027 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . rr_1pbz 1 . 9 . 3986 . 1 1 2 CYS SG S -7.481 -1.801 -0.932 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 9 . 3987 . 1 1 3 GLY C C -0.865 -3.000 2.491 . . . 1.0 . . . . . . . . . . . . A . 2 GLY C . . . . . . . . . rr_1pbz 1 . 9 . 3988 . 1 1 3 GLY CA C -1.474 -3.168 1.086 . . . 1.0 . . . . . . . . . . . . A . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 9 . 3989 . 1 1 3 GLY H H -3.367 -3.878 1.901 . . . 1.0 . . . . . . . . . . . . A . 2 GLY H . . . . . . . . . rr_1pbz 1 . 9 . 3990 . 1 1 3 GLY HA2 H -0.939 -3.930 0.493 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 9 . 3991 . 1 1 3 GLY HA3 H -1.290 -2.218 0.541 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 9 . 3992 . 1 1 3 GLY N N -2.924 -3.456 1.079 . . . 1.0 . . . . . . . . . . . . A . 2 GLY N . . . . . . . . . rr_1pbz 1 . 9 . 3993 . 1 1 3 GLY O O -0.897 -1.901 3.038 . . . 1.0 . . . . . . . . . . . . A . 2 GLY O . . . . . . . . . rr_1pbz 1 . 9 . 3994 . 1 1 4 ALA C C 1.944 -3.203 4.099 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . rr_1pbz 1 . 9 . 3995 . 1 1 4 ALA CA C 0.548 -3.879 4.322 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 9 . 3996 . 1 1 4 ALA CB C 0.642 -5.250 4.974 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 9 . 3997 . 1 1 4 ALA H H -0.422 -4.976 2.685 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . rr_1pbz 1 . 9 . 3998 . 1 1 4 ALA HA H 0.006 -3.214 5.030 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 9 . 3999 . 1 1 4 ALA HB1 H 1.183 -5.960 4.324 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 9 . 4000 . 1 1 4 ALA HB2 H -0.364 -5.648 5.195 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4001 . 1 1 4 ALA HB3 H 1.192 -5.165 5.927 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4002 . 1 1 4 ALA N N -0.276 -4.049 3.089 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . rr_1pbz 1 . 9 . 4003 . 1 1 4 ALA O O 2.408 -2.470 4.972 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . rr_1pbz 1 . 9 . 4004 . 1 1 5 GLU C C 3.393 -1.088 2.258 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . rr_1pbz 1 . 9 . 4005 . 1 1 5 GLU CA C 3.779 -2.596 2.532 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 9 . 4006 . 1 1 5 GLU CB C 4.442 -3.266 1.339 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 9 . 4007 . 1 1 5 GLU CD C 6.283 -4.925 0.649 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 9 . 4008 . 1 1 5 GLU CG C 5.227 -4.569 1.664 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 9 . 4009 . 1 1 5 GLU H H 2.305 -4.229 2.393 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . rr_1pbz 1 . 9 . 4010 . 1 1 5 GLU HA H 4.557 -2.613 3.300 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 9 . 4011 . 1 1 5 GLU HB2 H 3.676 -3.431 0.563 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4012 . 1 1 5 GLU HB3 H 5.148 -2.512 0.954 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4013 . 1 1 5 GLU HG2 H 5.761 -4.493 2.626 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 9 . 4014 . 1 1 5 GLU HG3 H 4.554 -5.436 1.757 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 9 . 4015 . 1 1 5 GLU N N 2.614 -3.427 2.955 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . rr_1pbz 1 . 9 . 4016 . 1 1 5 GLU O O 4.096 -0.165 2.680 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . rr_1pbz 1 . 9 . 4017 . 1 1 5 GLU OE1 O 7.439 -4.487 0.822 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 9 . 4018 . 1 1 5 GLU OE2 O 5.971 -5.669 -0.300 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 9 . 4019 . 1 1 6 ALA C C 1.330 1.116 2.937 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . rr_1pbz 1 . 9 . 4020 . 1 1 6 ALA CA C 1.599 0.504 1.524 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 9 . 4021 . 1 1 6 ALA CB C 0.253 0.330 0.810 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 9 . 4022 . 1 1 6 ALA H H 1.769 -1.737 1.378 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . rr_1pbz 1 . 9 . 4023 . 1 1 6 ALA HA H 2.209 1.252 0.943 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 9 . 4024 . 1 1 6 ALA HB1 H -0.433 -0.303 1.396 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 9 . 4025 . 1 1 6 ALA HB2 H -0.271 1.293 0.724 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4026 . 1 1 6 ALA HB3 H 0.359 -0.124 -0.187 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4027 . 1 1 6 ALA N N 2.243 -0.844 1.588 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . rr_1pbz 1 . 9 . 4028 . 1 1 6 ALA O O 1.677 2.275 3.121 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . rr_1pbz 1 . 9 . 4029 . 1 1 7 ALA C C 2.045 1.085 6.042 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_1pbz 1 . 9 . 4030 . 1 1 7 ALA CA C 0.664 0.817 5.331 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 9 . 4031 . 1 1 7 ALA CB C -0.019 -0.350 6.027 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 9 . 4032 . 1 1 7 ALA H H 0.437 -0.569 3.627 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_1pbz 1 . 9 . 4033 . 1 1 7 ALA HA H -0.021 1.704 5.436 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 9 . 4034 . 1 1 7 ALA HB1 H -0.194 -0.099 7.084 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 9 . 4035 . 1 1 7 ALA HB2 H 0.632 -1.242 6.017 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4036 . 1 1 7 ALA HB3 H -0.976 -0.611 5.546 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4037 . 1 1 7 ALA N N 0.735 0.387 3.906 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_1pbz 1 . 9 . 4038 . 1 1 7 ALA O O 2.171 2.072 6.770 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_1pbz 1 . 9 . 4039 . 1 1 8 LYS C C 5.071 1.854 5.658 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1pbz 1 . 9 . 4040 . 1 1 8 LYS CA C 4.487 0.510 6.248 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 9 . 4041 . 1 1 8 LYS CB C 5.280 -0.788 5.888 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 9 . 4042 . 1 1 8 LYS CD C 7.753 -0.369 6.587 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 9 . 4043 . 1 1 8 LYS CE C 9.015 -1.036 7.172 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 9 . 4044 . 1 1 8 LYS CG C 6.463 -1.193 6.789 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 9 . 4045 . 1 1 8 LYS H H 2.830 -0.637 5.302 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1pbz 1 . 9 . 4046 . 1 1 8 LYS HA H 4.477 0.651 7.353 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 9 . 4047 . 1 1 8 LYS HB2 H 4.604 -1.668 5.925 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4048 . 1 1 8 LYS HB3 H 5.585 -0.762 4.823 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4049 . 1 1 8 LYS HD2 H 7.912 -0.236 5.496 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 9 . 4050 . 1 1 8 LYS HD3 H 7.614 0.664 6.969 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 9 . 4051 . 1 1 8 LYS HE2 H 9.131 -2.062 6.745 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 9 . 4052 . 1 1 8 LYS HE3 H 9.920 -0.496 6.809 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 9 . 4053 . 1 1 8 LYS HG2 H 6.136 -1.184 7.848 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 9 . 4054 . 1 1 8 LYS HG3 H 6.677 -2.261 6.568 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 9 . 4055 . 1 1 8 LYS HZ1 H 9.793 -1.501 9.106 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 9 . 4056 . 1 1 8 LYS HZ2 H 8.159 -1.590 9.020 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 9 . 4057 . 1 1 8 LYS HZ3 H 8.882 -0.128 9.086 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 9 . 4058 . 1 1 8 LYS N N 3.077 0.233 5.822 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1pbz 1 . 9 . 4059 . 1 1 8 LYS NZ N 8.970 -1.064 8.667 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 9 . 4060 . 1 1 8 LYS O O 5.685 2.638 6.388 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1pbz 1 . 9 . 4061 . 1 1 9 ALA C C 4.170 4.616 4.334 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_1pbz 1 . 9 . 4062 . 1 1 9 ALA CA C 5.056 3.463 3.743 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 9 . 4063 . 1 1 9 ALA CB C 4.727 3.339 2.268 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 9 . 4064 . 1 1 9 ALA H H 4.488 1.334 3.813 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_1pbz 1 . 9 . 4065 . 1 1 9 ALA HA H 6.126 3.723 3.755 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 9 . 4066 . 1 1 9 ALA HB1 H 4.943 4.307 1.779 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 9 . 4067 . 1 1 9 ALA HB2 H 3.659 3.115 2.127 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4068 . 1 1 9 ALA HB3 H 5.333 2.547 1.805 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4069 . 1 1 9 ALA N N 4.843 2.130 4.358 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_1pbz 1 . 9 . 4070 . 1 1 9 ALA O O 4.673 5.716 4.541 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_1pbz 1 . 9 . 4071 . 1 1 10 HIS C C 2.529 5.694 6.749 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_1pbz 1 . 9 . 4072 . 1 1 10 HIS CA C 1.971 5.307 5.334 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 9 . 4073 . 1 1 10 HIS CB C 0.541 4.702 5.244 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 9 . 4074 . 1 1 10 HIS CD2 C 0.066 5.131 2.679 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 9 . 4075 . 1 1 10 HIS CE1 C -1.387 3.541 2.316 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 9 . 4076 . 1 1 10 HIS CG C -0.162 4.479 3.879 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 9 . 4077 . 1 1 10 HIS H H 2.527 3.426 4.318 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_1pbz 1 . 9 . 4078 . 1 1 10 HIS HA H 1.964 6.297 4.849 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 9 . 4079 . 1 1 10 HIS HB2 H 0.596 3.730 5.763 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4080 . 1 1 10 HIS HB3 H -0.123 5.314 5.866 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4081 . 1 1 10 HIS HD1 H -1.553 2.844 4.371 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 9 . 4082 . 1 1 10 HIS HD2 H 0.772 5.922 2.484 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 9 . 4083 . 1 1 10 HIS HE1 H -2.066 2.832 1.836 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 9 . 4084 . 1 1 10 HIS N N 2.859 4.380 4.575 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_1pbz 1 . 9 . 4085 . 1 1 10 HIS ND1 N -1.048 3.411 3.677 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 9 . 4086 . 1 1 10 HIS NE2 N -0.756 4.600 1.754 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 9 . 4087 . 1 1 10 HIS O O 2.750 6.889 6.933 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_1pbz 1 . 9 . 4088 . 1 1 11 ALA C C 5.017 5.827 8.655 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_1pbz 1 . 9 . 4089 . 1 1 11 ALA CA C 3.659 5.065 8.889 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 9 . 4090 . 1 1 11 ALA CB C 3.872 3.658 9.499 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 9 . 4091 . 1 1 11 ALA H H 2.211 3.965 7.788 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_1pbz 1 . 9 . 4092 . 1 1 11 ALA HA H 3.066 5.684 9.586 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 9 . 4093 . 1 1 11 ALA HB1 H 4.428 2.986 8.813 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 9 . 4094 . 1 1 11 ALA HB2 H 4.462 3.712 10.432 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4095 . 1 1 11 ALA HB3 H 2.922 3.148 9.745 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4096 . 1 1 11 ALA N N 2.847 4.765 7.678 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_1pbz 1 . 9 . 4097 . 1 1 11 ALA O O 5.235 6.887 9.248 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_1pbz 1 . 9 . 4098 . 1 1 12 LYS C C 6.994 7.542 6.934 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_1pbz 1 . 9 . 4099 . 1 1 12 LYS CA C 7.155 6.035 7.357 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 9 . 4100 . 1 1 12 LYS CB C 7.842 5.124 6.290 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 9 . 4101 . 1 1 12 LYS CD C 9.084 6.339 4.333 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 9 . 4102 . 1 1 12 LYS CE C 8.927 5.407 3.112 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 9 . 4103 . 1 1 12 LYS CG C 9.194 5.613 5.698 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 9 . 4104 . 1 1 12 LYS H H 5.405 4.635 7.136 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_1pbz 1 . 9 . 4105 . 1 1 12 LYS HA H 7.806 6.063 8.254 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 9 . 4106 . 1 1 12 LYS HB2 H 8.001 4.129 6.748 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4107 . 1 1 12 LYS HB3 H 7.122 4.931 5.471 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4108 . 1 1 12 LYS HD2 H 8.248 7.071 4.364 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 9 . 4109 . 1 1 12 LYS HD3 H 9.987 6.972 4.211 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 9 . 4110 . 1 1 12 LYS HE2 H 9.774 4.689 3.052 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 9 . 4111 . 1 1 12 LYS HE3 H 8.008 4.792 3.208 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 9 . 4112 . 1 1 12 LYS HG2 H 9.675 6.300 6.426 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 9 . 4113 . 1 1 12 LYS HG3 H 9.909 4.771 5.620 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 9 . 4114 . 1 1 12 LYS HZ1 H 9.306 7.165 1.900 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 9 . 4115 . 1 1 12 LYS HZ2 H 9.006 5.807 0.978 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 9 . 4116 . 1 1 12 LYS HZ3 H 7.853 6.595 1.711 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 9 . 4117 . 1 1 12 LYS N N 5.885 5.324 7.746 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_1pbz 1 . 9 . 4118 . 1 1 12 LYS NZ N 8.841 6.249 1.887 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 9 . 4119 . 1 1 12 LYS O O 7.690 8.436 7.435 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_1pbz 1 . 9 . 4120 . 1 1 13 ALA C C 4.893 9.850 6.884 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . rr_1pbz 1 . 9 . 4121 . 1 1 13 ALA CA C 5.579 9.135 5.669 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 9 . 4122 . 1 1 13 ALA CB C 4.754 8.954 4.385 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 9 . 4123 . 1 1 13 ALA H H 5.535 6.947 5.726 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . rr_1pbz 1 . 9 . 4124 . 1 1 13 ALA HA H 6.462 9.746 5.398 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 9 . 4125 . 1 1 13 ALA HB1 H 4.484 9.927 3.949 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 9 . 4126 . 1 1 13 ALA HB2 H 3.826 8.379 4.562 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4127 . 1 1 13 ALA HB3 H 5.336 8.425 3.604 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4128 . 1 1 13 ALA N N 6.050 7.787 6.016 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . rr_1pbz 1 . 9 . 4129 . 1 1 13 ALA O O 5.542 10.696 7.455 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . rr_1pbz 1 . 9 . 4130 . 1 1 14 ALA C C 3.990 10.468 9.869 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_1pbz 1 . 9 . 4131 . 1 1 14 ALA CA C 3.082 10.064 8.641 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 9 . 4132 . 1 1 14 ALA CB C 2.031 9.002 8.987 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 9 . 4133 . 1 1 14 ALA H H 3.160 9.008 6.671 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_1pbz 1 . 9 . 4134 . 1 1 14 ALA HA H 2.531 10.991 8.421 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 9 . 4135 . 1 1 14 ALA HB1 H 1.331 8.825 8.146 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 9 . 4136 . 1 1 14 ALA HB2 H 2.518 8.037 9.223 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4137 . 1 1 14 ALA HB3 H 1.433 9.302 9.861 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4138 . 1 1 14 ALA N N 3.681 9.553 7.349 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_1pbz 1 . 9 . 4139 . 1 1 14 ALA O O 3.665 11.392 10.616 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_1pbz 1 . 9 . 4140 . 1 1 15 GLU C C 7.121 11.311 10.308 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . rr_1pbz 1 . 9 . 4141 . 1 1 15 GLU CA C 6.240 10.131 10.912 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 9 . 4142 . 1 1 15 GLU CB C 7.026 8.818 11.206 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 9 . 4143 . 1 1 15 GLU CD C 7.592 8.624 13.745 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 9 . 4144 . 1 1 15 GLU CG C 8.093 8.888 12.335 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 9 . 4145 . 1 1 15 GLU H H 5.161 9.137 9.189 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . rr_1pbz 1 . 9 . 4146 . 1 1 15 GLU HA H 5.832 10.490 11.879 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 9 . 4147 . 1 1 15 GLU HB2 H 6.320 7.999 11.458 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4148 . 1 1 15 GLU HB3 H 7.512 8.474 10.273 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4149 . 1 1 15 GLU HG2 H 8.873 8.130 12.162 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 9 . 4150 . 1 1 15 GLU HG3 H 8.618 9.859 12.343 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 9 . 4151 . 1 1 15 GLU N N 5.105 9.753 10.016 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . rr_1pbz 1 . 9 . 4152 . 1 1 15 GLU O O 7.145 12.405 10.879 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . rr_1pbz 1 . 9 . 4153 . 1 1 15 GLU OE1 O 7.407 7.441 14.098 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 9 . 4154 . 1 1 15 GLU OE2 O 7.426 9.590 14.516 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 9 . 4155 . 1 1 16 ALA C C 7.750 13.058 7.343 . . . 1.0 . . . . . . . . . . . . A . 15 ALA C . . . . . . . . . rr_1pbz 1 . 9 . 4156 . 1 1 16 ALA CA C 8.547 12.251 8.454 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 9 . 4157 . 1 1 16 ALA CB C 9.865 11.632 7.942 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 9 . 4158 . 1 1 16 ALA H H 7.750 10.167 8.797 . . . 1.0 . . . . . . . . . . . . A . 15 ALA H . . . . . . . . . rr_1pbz 1 . 9 . 4159 . 1 1 16 ALA HA H 8.834 13.016 9.203 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 9 . 4160 . 1 1 16 ALA HB1 H 10.504 12.394 7.461 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 9 . 4161 . 1 1 16 ALA HB2 H 9.688 10.829 7.202 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4162 . 1 1 16 ALA HB3 H 10.455 11.196 8.770 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4163 . 1 1 16 ALA N N 7.828 11.132 9.160 . . . 1.0 . . . . . . . . . . . . A . 15 ALA N . . . . . . . . . rr_1pbz 1 . 9 . 4164 . 1 1 16 ALA O O 7.688 14.289 7.375 . . . 1.0 . . . . . . . . . . . . A . 15 ALA O . . . . . . . . . rr_1pbz 1 . 9 . 4165 . 1 1 17 GLY C C 4.773 13.032 5.802 . . . 1.0 . . . . . . . . . . . . A . 16 GLY C . . . . . . . . . rr_1pbz 1 . 9 . 4166 . 1 1 17 GLY CA C 6.246 12.910 5.332 . . . 1.0 . . . . . . . . . . . . A . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 9 . 4167 . 1 1 17 GLY H H 7.100 11.406 6.647 . . . 1.0 . . . . . . . . . . . . A . 16 GLY H . . . . . . . . . rr_1pbz 1 . 9 . 4168 . 1 1 17 GLY HA2 H 6.545 13.881 4.942 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 9 . 4169 . 1 1 17 GLY HA3 H 6.256 12.180 4.496 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 9 . 4170 . 1 1 17 GLY N N 7.231 12.368 6.314 . . . 1.0 . . . . . . . . . . . . A . 16 GLY N . . . . . . . . . rr_1pbz 1 . 9 . 4171 . 1 1 17 GLY O O 4.459 13.691 6.793 . . . 1.0 . . . . . . . . . . . . A . 16 GLY O . . . . . . . . . rr_1pbz 1 . 9 . 4172 . 1 1 18 CYS C C 1.910 10.873 4.895 . . . 1.0 . . . . . . . . . . . . A . 17 CYS C . . . . . . . . . rr_1pbz 1 . 9 . 4173 . 1 1 18 CYS CA C 2.468 12.170 5.513 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 9 . 4174 . 1 1 18 CYS CB C 1.613 13.365 5.032 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 9 . 4175 . 1 1 18 CYS H H 4.218 12.017 4.176 . . . 1.0 . . . . . . . . . . . . A . 17 CYS H . . . . . . . . . rr_1pbz 1 . 9 . 4176 . 1 1 18 CYS HA H 2.499 12.007 6.623 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 9 . 4177 . 1 1 18 CYS HB2 H 0.624 13.345 5.524 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4178 . 1 1 18 CYS HB3 H 2.074 14.334 5.302 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4179 . 1 1 18 CYS N N 3.863 12.373 5.064 . . . 1.0 . . . . . . . . . . . . A . 17 CYS N . . . . . . . . . rr_1pbz 1 . 9 . 4180 . 1 1 18 CYS O O 1.226 10.026 5.476 . . . 1.0 . . . . . . . . . . . . A . 17 CYS O . . . . . . . . . rr_1pbz 1 . 9 . 4181 . 1 1 18 CYS SG S 1.371 13.263 3.233 . . . 1.0 . . . . . . . . . . . . A . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 9 . 4182 . 1 1 19 NH2 HN1 H 2.827 11.467 3.180 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 9 . 4183 . 1 1 19 NH2 HN2 H 1.958 9.918 3.100 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 9 . 4184 . 1 1 19 NH2 N N 2.257 10.743 3.632 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 9 . 4185 . 2 1 2 CYS C C -6.665 0.486 -5.421 . . . 1.0 . . . . . . . . . . . . B . 1 CYS C . . . . . . . . . rr_1pbz 1 . 9 . 4186 . 2 1 2 CYS CA C -7.388 -0.489 -4.402 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 9 . 4187 . 2 1 2 CYS CB C -6.443 -1.616 -3.911 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 9 . 4188 . 2 1 2 CYS H H -8.556 -2.166 -5.372 . . . 1.0 . . . . . . . . . . . . B . 1 CYS H . . . . . . . . . rr_1pbz 1 . 9 . 4189 . 2 1 2 CYS HA H -7.613 0.143 -3.498 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 9 . 4190 . 2 1 2 CYS HB2 H -6.057 -2.230 -4.745 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4191 . 2 1 2 CYS HB3 H -5.540 -1.192 -3.432 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4192 . 2 1 2 CYS N N -8.587 -1.243 -4.910 . . . 1.0 . . . . . . . . . . . . B . 1 CYS N . . . . . . . . . rr_1pbz 1 . 9 . 4193 . 2 1 2 CYS O O -5.754 1.193 -4.996 . . . 1.0 . . . . . . . . . . . . B . 1 CYS O . . . . . . . . . rr_1pbz 1 . 9 . 4194 . 2 1 2 CYS SG S -7.220 -2.717 -2.698 . . . 1.0 . . . . . . . . . . . . B . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 9 . 4195 . 2 1 3 GLY C C -6.599 2.790 -8.013 . . . 1.0 . . . . . . . . . . . . B . 2 GLY C . . . . . . . . . rr_1pbz 1 . 9 . 4196 . 2 1 3 GLY CA C -6.219 1.314 -7.750 . . . 1.0 . . . . . . . . . . . . B . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 9 . 4197 . 2 1 3 GLY H H -7.834 -0.014 -7.000 . . . 1.0 . . . . . . . . . . . . B . 2 GLY H . . . . . . . . . rr_1pbz 1 . 9 . 4198 . 2 1 3 GLY HA2 H -5.142 1.297 -7.480 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 9 . 4199 . 2 1 3 GLY HA3 H -6.249 0.783 -8.718 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 9 . 4200 . 2 1 3 GLY N N -7.012 0.544 -6.737 . . . 1.0 . . . . . . . . . . . . B . 2 GLY N . . . . . . . . . rr_1pbz 1 . 9 . 4201 . 2 1 3 GLY O O -5.735 3.660 -7.936 . . . 1.0 . . . . . . . . . . . . B . 2 GLY O . . . . . . . . . rr_1pbz 1 . 9 . 4202 . 2 1 4 ALA C C -8.475 5.280 -7.037 . . . 1.0 . . . . . . . . . . . . B . 3 ALA C . . . . . . . . . rr_1pbz 1 . 9 . 4203 . 2 1 4 ALA CA C -8.335 4.520 -8.403 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 9 . 4204 . 2 1 4 ALA CB C -9.642 4.488 -9.188 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 9 . 4205 . 2 1 4 ALA H H -8.500 2.321 -8.500 . . . 1.0 . . . . . . . . . . . . B . 3 ALA H . . . . . . . . . rr_1pbz 1 . 9 . 4206 . 2 1 4 ALA HA H -7.606 5.115 -8.994 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 9 . 4207 . 2 1 4 ALA HB1 H -10.018 5.518 -9.327 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 9 . 4208 . 2 1 4 ALA HB2 H -10.416 3.913 -8.649 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4209 . 2 1 4 ALA HB3 H -9.495 4.047 -10.190 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4210 . 2 1 4 ALA N N -7.859 3.104 -8.353 . . . 1.0 . . . . . . . . . . . . B . 3 ALA N . . . . . . . . . rr_1pbz 1 . 9 . 4211 . 2 1 4 ALA O O -8.231 6.487 -7.000 . . . 1.0 . . . . . . . . . . . . B . 3 ALA O . . . . . . . . . rr_1pbz 1 . 9 . 4212 . 2 1 5 GLU C C -7.297 5.563 -4.171 . . . 1.0 . . . . . . . . . . . . B . 4 GLU C . . . . . . . . . rr_1pbz 1 . 9 . 4213 . 2 1 5 GLU CA C -8.754 5.135 -4.548 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 9 . 4214 . 2 1 5 GLU CB C -9.435 4.073 -3.627 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 9 . 4215 . 2 1 5 GLU CD C -9.055 5.569 -1.486 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 9 . 4216 . 2 1 5 GLU CG C -9.411 4.226 -2.078 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 9 . 4217 . 2 1 5 GLU H H -9.179 3.644 -6.132 . . . 1.0 . . . . . . . . . . . . B . 4 GLU H . . . . . . . . . rr_1pbz 1 . 9 . 4218 . 2 1 5 GLU HA H -9.317 6.079 -4.507 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 9 . 4219 . 2 1 5 GLU HB2 H -10.499 3.998 -3.927 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4220 . 2 1 5 GLU HB3 H -9.007 3.077 -3.842 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4221 . 2 1 5 GLU HG2 H -10.392 3.961 -1.648 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 9 . 4222 . 2 1 5 GLU HG3 H -8.710 3.503 -1.631 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 9 . 4223 . 2 1 5 GLU N N -8.854 4.594 -5.943 . . . 1.0 . . . . . . . . . . . . B . 4 GLU N . . . . . . . . . rr_1pbz 1 . 9 . 4224 . 2 1 5 GLU O O -7.051 6.727 -3.832 . . . 1.0 . . . . . . . . . . . . B . 4 GLU O . . . . . . . . . rr_1pbz 1 . 9 . 4225 . 2 1 5 GLU OE1 O -9.862 6.513 -1.592 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 9 . 4226 . 2 1 5 GLU OE2 O -7.933 5.699 -0.945 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 9 . 4227 . 2 1 6 ALA C C -4.552 6.260 -5.248 . . . 1.0 . . . . . . . . . . . . B . 5 ALA C . . . . . . . . . rr_1pbz 1 . 9 . 4228 . 2 1 6 ALA CA C -4.872 5.053 -4.330 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 9 . 4229 . 2 1 6 ALA CB C -4.048 3.885 -4.880 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 9 . 4230 . 2 1 6 ALA H H -6.696 3.844 -4.858 . . . 1.0 . . . . . . . . . . . . B . 5 ALA H . . . . . . . . . rr_1pbz 1 . 9 . 4231 . 2 1 6 ALA HA H -4.522 5.334 -3.301 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 9 . 4232 . 2 1 6 ALA HB1 H -2.994 4.172 -5.051 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 9 . 4233 . 2 1 6 ALA HB2 H -4.417 3.601 -5.886 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4234 . 2 1 6 ALA HB3 H -4.103 3.002 -4.238 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4235 . 2 1 6 ALA N N -6.312 4.661 -4.358 . . . 1.0 . . . . . . . . . . . . B . 5 ALA N . . . . . . . . . rr_1pbz 1 . 9 . 4236 . 2 1 6 ALA O O -3.961 7.219 -4.761 . . . 1.0 . . . . . . . . . . . . B . 5 ALA O . . . . . . . . . rr_1pbz 1 . 9 . 4237 . 2 1 7 ALA C C -5.194 8.754 -6.994 . . . 1.0 . . . . . . . . . . . . B . 6 ALA C . . . . . . . . . rr_1pbz 1 . 9 . 4238 . 2 1 7 ALA CA C -4.638 7.346 -7.441 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 9 . 4239 . 2 1 7 ALA CB C -5.237 6.967 -8.779 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 9 . 4240 . 2 1 7 ALA H H -5.548 5.452 -6.841 . . . 1.0 . . . . . . . . . . . . B . 6 ALA H . . . . . . . . . rr_1pbz 1 . 9 . 4241 . 2 1 7 ALA HA H -3.531 7.271 -7.511 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 9 . 4242 . 2 1 7 ALA HB1 H -6.339 6.956 -8.697 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 9 . 4243 . 2 1 7 ALA HB2 H -4.951 7.728 -9.520 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4244 . 2 1 7 ALA HB3 H -4.881 5.974 -9.093 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4245 . 2 1 7 ALA N N -4.956 6.245 -6.533 . . . 1.0 . . . . . . . . . . . . B . 6 ALA N . . . . . . . . . rr_1pbz 1 . 9 . 4246 . 2 1 7 ALA O O -4.441 9.728 -6.940 . . . 1.0 . . . . . . . . . . . . B . 6 ALA O . . . . . . . . . rr_1pbz 1 . 9 . 4247 . 2 1 8 LYS C C -6.413 10.438 -4.669 . . . 1.0 . . . . . . . . . . . . B . 7 LYS C . . . . . . . . . rr_1pbz 1 . 9 . 4248 . 2 1 8 LYS CA C -7.148 9.972 -5.960 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 9 . 4249 . 2 1 8 LYS CB C -8.655 9.652 -5.706 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 9 . 4250 . 2 1 8 LYS CD C -9.321 12.229 -5.507 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 9 . 4251 . 2 1 8 LYS CE C -8.617 13.152 -4.475 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 9 . 4252 . 2 1 8 LYS CG C -9.527 10.760 -5.030 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 9 . 4253 . 2 1 8 LYS H H -6.977 7.903 -6.750 . . . 1.0 . . . . . . . . . . . . B . 7 LYS H . . . . . . . . . rr_1pbz 1 . 9 . 4254 . 2 1 8 LYS HA H -7.094 10.818 -6.674 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 9 . 4255 . 2 1 8 LYS HB2 H -9.131 9.340 -6.655 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4256 . 2 1 8 LYS HB3 H -8.725 8.728 -5.084 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4257 . 2 1 8 LYS HD2 H -8.810 12.231 -6.491 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 9 . 4258 . 2 1 8 LYS HD3 H -10.311 12.669 -5.742 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 9 . 4259 . 2 1 8 LYS HE2 H -9.385 13.606 -3.809 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 9 . 4260 . 2 1 8 LYS HE3 H -7.985 12.567 -3.775 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 9 . 4261 . 2 1 8 LYS HG2 H -10.590 10.480 -5.173 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 9 . 4262 . 2 1 8 LYS HG3 H -9.403 10.682 -3.929 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 9 . 4263 . 2 1 8 LYS HZ1 H -8.184 14.597 -6.050 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 9 . 4264 . 2 1 8 LYS HZ2 H -7.633 15.118 -4.669 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 9 . 4265 . 2 1 8 LYS HZ3 H -6.851 13.936 -5.414 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 9 . 4266 . 2 1 8 LYS N N -6.500 8.811 -6.630 . . . 1.0 . . . . . . . . . . . . B . 7 LYS N . . . . . . . . . rr_1pbz 1 . 9 . 4267 . 2 1 8 LYS NZ N -7.811 14.217 -5.168 . . . 1.0 . . . . . . . . . . . . B . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 9 . 4268 . 2 1 8 LYS O O -5.990 11.587 -4.631 . . . 1.0 . . . . . . . . . . . . B . 7 LYS O . . . . . . . . . rr_1pbz 1 . 9 . 4269 . 2 1 9 ALA C C -3.885 10.470 -2.814 . . . 1.0 . . . . . . . . . . . . B . 8 ALA C . . . . . . . . . rr_1pbz 1 . 9 . 4270 . 2 1 9 ALA CA C -5.322 9.908 -2.498 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 9 . 4271 . 2 1 9 ALA CB C -5.107 8.565 -1.830 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 9 . 4272 . 2 1 9 ALA H H -6.654 8.665 -3.760 . . . 1.0 . . . . . . . . . . . . B . 8 ALA H . . . . . . . . . rr_1pbz 1 . 9 . 4273 . 2 1 9 ALA HA H -5.846 10.541 -1.750 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 9 . 4274 . 2 1 9 ALA HB1 H -4.421 8.735 -0.993 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 9 . 4275 . 2 1 9 ALA HB2 H -4.628 7.843 -2.512 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4276 . 2 1 9 ALA HB3 H -6.051 8.138 -1.458 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4277 . 2 1 9 ALA N N -6.224 9.598 -3.641 . . . 1.0 . . . . . . . . . . . . B . 8 ALA N . . . . . . . . . rr_1pbz 1 . 9 . 4278 . 2 1 9 ALA O O -3.350 11.329 -2.104 . . . 1.0 . . . . . . . . . . . . B . 8 ALA O . . . . . . . . . rr_1pbz 1 . 9 . 4279 . 2 1 10 HIS C C -1.839 11.691 -4.931 . . . 1.0 . . . . . . . . . . . . B . 9 HIS C . . . . . . . . . rr_1pbz 1 . 9 . 4280 . 2 1 10 HIS CA C -1.855 10.271 -4.259 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 9 . 4281 . 2 1 10 HIS CB C -1.339 8.998 -4.975 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 9 . 4282 . 2 1 10 HIS CD2 C -1.308 7.628 -2.691 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 9 . 4283 . 2 1 10 HIS CE1 C -1.097 5.634 -3.540 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 9 . 4284 . 2 1 10 HIS CG C -1.154 7.737 -4.083 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 9 . 4285 . 2 1 10 HIS H H -3.826 9.289 -4.467 . . . 1.0 . . . . . . . . . . . . B . 9 HIS H . . . . . . . . . rr_1pbz 1 . 9 . 4286 . 2 1 10 HIS HA H -1.208 10.388 -3.369 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 9 . 4287 . 2 1 10 HIS HB2 H -2.036 8.754 -5.805 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4288 . 2 1 10 HIS HB3 H -0.385 9.232 -5.466 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4289 . 2 1 10 HIS HD1 H -0.950 6.207 -5.652 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 9 . 4290 . 2 1 10 HIS HD2 H -1.501 8.444 -1.998 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 9 . 4291 . 2 1 10 HIS HE1 H -1.059 4.560 -3.645 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 9 . 4292 . 2 1 10 HIS N N -3.236 9.892 -3.842 . . . 1.0 . . . . . . . . . . . . B . 9 HIS N . . . . . . . . . rr_1pbz 1 . 9 . 4293 . 2 1 10 HIS ND1 N -1.074 6.473 -4.665 . . . 1.0 . . . . . . . . . . . . B . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 9 . 4294 . 2 1 10 HIS NE2 N -1.183 6.326 -2.381 . . . 1.0 . . . . . . . . . . . . B . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 9 . 4295 . 2 1 10 HIS O O -1.039 12.548 -4.531 . . . 1.0 . . . . . . . . . . . . B . 9 HIS O . . . . . . . . . rr_1pbz 1 . 9 . 4296 . 2 1 11 ALA C C -3.552 14.232 -5.090 . . . 1.0 . . . . . . . . . . . . B . 10 ALA C . . . . . . . . . rr_1pbz 1 . 9 . 4297 . 2 1 11 ALA CA C -3.155 13.311 -6.293 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 9 . 4298 . 2 1 11 ALA CB C -4.302 13.118 -7.303 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 9 . 4299 . 2 1 11 ALA H H -3.093 11.166 -6.432 . . . 1.0 . . . . . . . . . . . . B . 10 ALA H . . . . . . . . . rr_1pbz 1 . 9 . 4300 . 2 1 11 ALA HA H -2.291 13.780 -6.800 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 9 . 4301 . 2 1 11 ALA HB1 H -4.668 14.092 -7.677 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 9 . 4302 . 2 1 11 ALA HB2 H -3.985 12.523 -8.178 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4303 . 2 1 11 ALA HB3 H -5.170 12.599 -6.855 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4304 . 2 1 11 ALA N N -2.800 11.952 -5.843 . . . 1.0 . . . . . . . . . . . . B . 10 ALA N . . . . . . . . . rr_1pbz 1 . 9 . 4305 . 2 1 11 ALA O O -2.811 15.174 -4.883 . . . 1.0 . . . . . . . . . . . . B . 10 ALA O . . . . . . . . . rr_1pbz 1 . 9 . 4306 . 2 1 12 LYS C C -3.614 15.317 -2.214 . . . 1.0 . . . . . . . . . . . . B . 11 LYS C . . . . . . . . . rr_1pbz 1 . 9 . 4307 . 2 1 12 LYS CA C -4.844 14.677 -2.939 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 9 . 4308 . 2 1 12 LYS CB C -5.723 13.775 -2.015 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 9 . 4309 . 2 1 12 LYS CD C -6.188 15.423 0.008 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 9 . 4310 . 2 1 12 LYS CE C -5.174 16.107 0.956 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 9 . 4311 . 2 1 12 LYS CG C -5.757 14.015 -0.483 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 9 . 4312 . 2 1 12 LYS H H -4.685 12.892 -4.312 . . . 1.0 . . . . . . . . . . . . B . 11 LYS H . . . . . . . . . rr_1pbz 1 . 9 . 4313 . 2 1 12 LYS HA H -5.481 15.541 -3.200 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 9 . 4314 . 2 1 12 LYS HB2 H -6.754 13.795 -2.391 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4315 . 2 1 12 LYS HB3 H -5.386 12.734 -2.133 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4316 . 2 1 12 LYS HD2 H -6.352 16.092 -0.862 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 9 . 4317 . 2 1 12 LYS HD3 H -7.184 15.358 0.489 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 9 . 4318 . 2 1 12 LYS HE2 H -4.191 16.205 0.442 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 9 . 4319 . 2 1 12 LYS HE3 H -5.487 17.157 1.149 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 9 . 4320 . 2 1 12 LYS HG2 H -6.397 13.250 0.002 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 9 . 4321 . 2 1 12 LYS HG3 H -4.751 13.757 -0.091 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 9 . 4322 . 2 1 12 LYS HZ1 H -4.233 15.661 2.842 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 9 . 4323 . 2 1 12 LYS HZ2 H -4.680 14.359 2.079 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 9 . 4324 . 2 1 12 LYS HZ3 H -5.840 15.205 2.802 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 9 . 4325 . 2 1 12 LYS N N -4.553 13.917 -4.226 . . . 1.0 . . . . . . . . . . . . B . 11 LYS N . . . . . . . . . rr_1pbz 1 . 9 . 4326 . 2 1 12 LYS NZ N -5.002 15.355 2.235 . . . 1.0 . . . . . . . . . . . . B . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 9 . 4327 . 2 1 12 LYS O O -3.562 16.538 -2.006 . . . 1.0 . . . . . . . . . . . . B . 11 LYS O . . . . . . . . . rr_1pbz 1 . 9 . 4328 . 2 1 13 ALA C C -0.620 15.896 -2.479 . . . 1.0 . . . . . . . . . . . . B . 12 ALA C . . . . . . . . . rr_1pbz 1 . 9 . 4329 . 2 1 13 ALA CA C -1.287 14.889 -1.461 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 9 . 4330 . 2 1 13 ALA CB C -0.522 13.588 -1.139 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 9 . 4331 . 2 1 13 ALA H H -2.933 13.472 -1.962 . . . 1.0 . . . . . . . . . . . . B . 12 ALA H . . . . . . . . . rr_1pbz 1 . 9 . 4332 . 2 1 13 ALA HA H -1.415 15.432 -0.516 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 9 . 4333 . 2 1 13 ALA HB1 H 0.510 13.805 -0.815 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 9 . 4334 . 2 1 13 ALA HB2 H -1.010 13.034 -0.313 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4335 . 2 1 13 ALA HB3 H -0.456 12.914 -2.012 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4336 . 2 1 13 ALA N N -2.632 14.457 -1.896 . . . 1.0 . . . . . . . . . . . . B . 12 ALA N . . . . . . . . . rr_1pbz 1 . 9 . 4337 . 2 1 13 ALA O O -0.752 17.107 -2.285 . . . 1.0 . . . . . . . . . . . . B . 12 ALA O . . . . . . . . . rr_1pbz 1 . 9 . 4338 . 2 1 14 ALA C C -0.532 17.463 -5.343 . . . 1.0 . . . . . . . . . . . . B . 13 ALA C . . . . . . . . . rr_1pbz 1 . 9 . 4339 . 2 1 14 ALA CA C 0.402 16.329 -4.738 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 9 . 4340 . 2 1 14 ALA CB C 0.728 15.284 -5.828 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 9 . 4341 . 2 1 14 ALA H H -0.207 14.454 -3.754 . . . 1.0 . . . . . . . . . . . . B . 13 ALA H . . . . . . . . . rr_1pbz 1 . 9 . 4342 . 2 1 14 ALA HA H 1.340 16.837 -4.445 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 9 . 4343 . 2 1 14 ALA HB1 H 1.463 14.525 -5.500 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 9 . 4344 . 2 1 14 ALA HB2 H -0.183 14.739 -6.150 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4345 . 2 1 14 ALA HB3 H 1.140 15.761 -6.736 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4346 . 2 1 14 ALA N N -0.037 15.450 -3.602 . . . 1.0 . . . . . . . . . . . . B . 13 ALA N . . . . . . . . . rr_1pbz 1 . 9 . 4347 . 2 1 14 ALA O O -0.115 18.190 -6.246 . . . 1.0 . . . . . . . . . . . . B . 13 ALA O . . . . . . . . . rr_1pbz 1 . 9 . 4348 . 2 1 15 GLU C C -2.775 19.768 -4.325 . . . 1.0 . . . . . . . . . . . . B . 14 GLU C . . . . . . . . . rr_1pbz 1 . 9 . 4349 . 2 1 15 GLU CA C -2.817 18.565 -5.314 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 9 . 4350 . 2 1 15 GLU CB C -4.123 17.716 -5.448 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 9 . 4351 . 2 1 15 GLU CD C -6.613 17.207 -5.744 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 9 . 4352 . 2 1 15 GLU CG C -5.525 18.291 -5.789 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 9 . 4353 . 2 1 15 GLU H H -1.869 17.011 -3.967 . . . 1.0 . . . . . . . . . . . . B . 14 GLU H . . . . . . . . . rr_1pbz 1 . 9 . 4354 . 2 1 15 GLU HA H -2.563 18.956 -6.319 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 9 . 4355 . 2 1 15 GLU HB2 H -3.910 16.957 -6.228 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4356 . 2 1 15 GLU HB3 H -4.245 17.157 -4.507 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4357 . 2 1 15 GLU HG2 H -5.808 19.095 -5.088 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 9 . 4358 . 2 1 15 GLU HG3 H -5.536 18.741 -6.797 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 9 . 4359 . 2 1 15 GLU N N -1.761 17.604 -4.835 . . . 1.0 . . . . . . . . . . . . B . 14 GLU N . . . . . . . . . rr_1pbz 1 . 9 . 4360 . 2 1 15 GLU O O -2.445 20.889 -4.719 . . . 1.0 . . . . . . . . . . . . B . 14 GLU O . . . . . . . . . rr_1pbz 1 . 9 . 4361 . 2 1 15 GLU OE1 O -7.096 16.868 -4.636 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 9 . 4362 . 2 1 15 GLU OE2 O -6.925 16.582 -6.777 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 9 . 4363 . 2 1 16 ALA C C -1.372 20.093 -1.241 . . . 1.0 . . . . . . . . . . . . B . 15 ALA C . . . . . . . . . rr_1pbz 1 . 9 . 4364 . 2 1 16 ALA CA C -2.709 20.505 -1.961 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 9 . 4365 . 2 1 16 ALA CB C -3.915 20.403 -1.037 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 9 . 4366 . 2 1 16 ALA H H -3.368 18.574 -2.811 . . . 1.0 . . . . . . . . . . . . B . 15 ALA H . . . . . . . . . rr_1pbz 1 . 9 . 4367 . 2 1 16 ALA HA H -2.626 21.545 -2.340 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 9 . 4368 . 2 1 16 ALA HB1 H -4.841 20.666 -1.575 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 9 . 4369 . 2 1 16 ALA HB2 H -3.999 19.375 -0.635 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4370 . 2 1 16 ALA HB3 H -3.773 21.093 -0.190 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4371 . 2 1 16 ALA N N -3.035 19.528 -3.026 . . . 1.0 . . . . . . . . . . . . B . 15 ALA N . . . . . . . . . rr_1pbz 1 . 9 . 4372 . 2 1 16 ALA O O -1.328 20.046 -0.010 . . . 1.0 . . . . . . . . . . . . B . 15 ALA O . . . . . . . . . rr_1pbz 1 . 9 . 4373 . 2 1 17 GLY C C 1.251 18.877 -0.126 . . . 1.0 . . . . . . . . . . . . B . 16 GLY C . . . . . . . . . rr_1pbz 1 . 9 . 4374 . 2 1 17 GLY CA C 1.028 19.263 -1.612 . . . 1.0 . . . . . . . . . . . . B . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 9 . 4375 . 2 1 17 GLY H H -0.828 19.406 -2.703 . . . 1.0 . . . . . . . . . . . . B . 16 GLY H . . . . . . . . . rr_1pbz 1 . 9 . 4376 . 2 1 17 GLY HA2 H 1.226 18.396 -2.286 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 9 . 4377 . 2 1 17 GLY HA3 H 1.865 19.920 -1.894 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 9 . 4378 . 2 1 17 GLY N N -0.271 19.949 -2.012 . . . 1.0 . . . . . . . . . . . . B . 16 GLY N . . . . . . . . . rr_1pbz 1 . 9 . 4379 . 2 1 17 GLY O O 1.896 19.494 0.717 . . . 1.0 . . . . . . . . . . . . B . 16 GLY O . . . . . . . . . rr_1pbz 1 . 9 . 4380 . 2 1 18 CYS C C -0.100 17.935 2.609 . . . 1.0 . . . . . . . . . . . . B . 17 CYS C . . . . . . . . . rr_1pbz 1 . 9 . 4381 . 2 1 18 CYS CA C 0.127 17.087 1.296 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 9 . 4382 . 2 1 18 CYS CB C 1.048 15.871 1.540 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 9 . 4383 . 2 1 18 CYS H H 0.194 17.518 -0.908 . . . 1.0 . . . . . . . . . . . . B . 17 CYS H . . . . . . . . . rr_1pbz 1 . 9 . 4384 . 2 1 18 CYS HA H -0.893 16.702 1.004 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 9 . 4385 . 2 1 18 CYS HB2 H 1.361 15.379 0.602 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 9 . 4386 . 2 1 18 CYS HB3 H 1.978 16.171 2.060 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 9 . 4387 . 2 1 18 CYS N N 0.542 17.764 0.040 . . . 1.0 . . . . . . . . . . . . B . 17 CYS N . . . . . . . . . rr_1pbz 1 . 9 . 4388 . 2 1 18 CYS O O 0.407 17.663 3.694 . . . 1.0 . . . . . . . . . . . . B . 17 CYS O . . . . . . . . . rr_1pbz 1 . 9 . 4389 . 2 1 18 CYS SG S 0.138 14.670 2.535 . . . 1.0 . . . . . . . . . . . . B . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 9 . 4390 . 2 1 19 NH2 HN1 H -1.045 19.372 1.665 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 9 . 4391 . 2 1 19 NH2 HN2 H -0.809 19.499 3.473 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 9 . 4392 . 2 1 19 NH2 N N -0.912 18.968 2.605 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 9 . 4393 . 3 2 1 PC3 C C 2.478 8.038 0.377 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C . . . . . . . . . rr_1pbz 1 . 9 . 4394 . 3 2 1 PC3 C1 C 1.405 8.962 0.667 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C1 . . . . . . . . . rr_1pbz 1 . 9 . 4395 . 3 2 1 PC3 C10 C 4.098 3.233 -1.837 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C10 . . . . . . . . . rr_1pbz 1 . 9 . 4396 . 3 2 1 PC3 C11 C -3.559 0.705 -2.099 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C11 . . . . . . . . . rr_1pbz 1 . 9 . 4397 . 3 2 1 PC3 C12 C -3.931 9.908 2.130 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C12 . . . . . . . . . rr_1pbz 1 . 9 . 4398 . 3 2 1 PC3 C14 C 3.853 8.129 1.035 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C14 . . . . . . . . . rr_1pbz 1 . 9 . 4399 . 3 2 1 PC3 C15 C 5.089 8.251 0.124 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C15 . . . . . . . . . rr_1pbz 1 . 9 . 4400 . 3 2 1 PC3 C16 C 1.860 1.208 -3.042 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C16 . . . . . . . . . rr_1pbz 1 . 9 . 4401 . 3 2 1 PC3 C17 C 1.129 1.125 -4.419 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C17 . . . . . . . . . rr_1pbz 1 . 9 . 4402 . 3 2 1 PC3 C18 C -5.807 2.476 -0.317 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C18 . . . . . . . . . rr_1pbz 1 . 9 . 4403 . 3 2 1 PC3 C19 C -6.052 2.898 1.160 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C19 . . . . . . . . . rr_1pbz 1 . 9 . 4404 . 3 2 1 PC3 C2 C -3.578 8.526 1.517 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2 . . . . . . . . . rr_1pbz 1 . 9 . 4405 . 3 2 1 PC3 C21 C 6.300 7.683 0.842 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C21 . . . . . . . . . rr_1pbz 1 . 9 . 4406 . 3 2 1 PC3 C22 C -3.596 12.525 2.114 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C22 . . . . . . . . . rr_1pbz 1 . 9 . 4407 . 3 2 1 PC3 C23 C -4.881 2.727 2.134 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C23 . . . . . . . . . rr_1pbz 1 . 9 . 4408 . 3 2 1 PC3 C24 C 1.095 2.388 -5.280 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C24 . . . . . . . . . rr_1pbz 1 . 9 . 4409 . 3 2 1 PC3 C2A C 0.222 8.170 0.590 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2A . . . . . . . . . rr_1pbz 1 . 9 . 4410 . 3 2 1 PC3 C2C C 1.792 6.832 -0.017 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2C . . . . . . . . . rr_1pbz 1 . 9 . 4411 . 3 2 1 PC3 C3 C -4.561 7.476 1.278 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C3 . . . . . . . . . rr_1pbz 1 . 9 . 4412 . 3 2 1 PC3 C4 C -4.443 2.889 -0.844 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4 . . . . . . . . . rr_1pbz 1 . 9 . 4413 . 3 2 1 PC3 C4A C -3.825 6.419 0.657 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4A . . . . . . . . . rr_1pbz 1 . 9 . 4414 . 3 2 1 PC3 C4C C -2.354 7.964 1.005 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4C . . . . . . . . . rr_1pbz 1 . 9 . 4415 . 3 2 1 PC3 C5 C -3.438 2.081 -1.497 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C5 . . . . . . . . . rr_1pbz 1 . 9 . 4416 . 3 2 1 PC3 C6 C 1.584 2.430 -2.128 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6 . . . . . . . . . rr_1pbz 1 . 9 . 4417 . 3 2 1 PC3 C6A C -2.245 2.813 -1.360 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6A . . . . . . . . . rr_1pbz 1 . 9 . 4418 . 3 2 1 PC3 C6C C -3.760 4.047 -0.442 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6C . . . . . . . . . rr_1pbz 1 . 9 . 4419 . 3 2 1 PC3 C7 C 2.588 3.355 -1.632 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C7 . . . . . . . . . rr_1pbz 1 . 9 . 4420 . 3 2 1 PC3 C8 C -6.055 7.506 1.632 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8 . . . . . . . . . rr_1pbz 1 . 9 . 4421 . 3 2 1 PC3 C8A C 1.846 4.423 -1.044 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8A . . . . . . . . . rr_1pbz 1 . 9 . 4422 . 3 2 1 PC3 C8C C 0.348 2.985 -1.668 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8C . . . . . . . . . rr_1pbz 1 . 9 . 4423 . 3 2 1 PC3 C9 C 1.528 10.431 1.089 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C9 . . . . . . . . . rr_1pbz 1 . 9 . 4424 . 3 2 1 PC3 CA C -1.078 8.637 0.989 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CA . . . . . . . . . rr_1pbz 1 . 9 . 4425 . 3 2 1 PC3 CB C -4.396 5.161 0.224 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CB . . . . . . . . . rr_1pbz 1 . 9 . 4426 . 3 2 1 PC3 CC C -0.954 2.356 -1.823 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CC . . . . . . . . . rr_1pbz 1 . 9 . 4427 . 3 2 1 PC3 CD C 2.441 5.632 -0.497 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CD . . . . . . . . . rr_1pbz 1 . 9 . 4428 . 3 2 1 PC3 CO3 Co -1.038 5.432 -0.321 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CO3 . . . . . . . . . rr_1pbz 1 . 9 . 4429 . 3 2 1 PC3 CX5 C -3.019 11.142 1.866 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CX5 . . . . . . . . . rr_1pbz 1 . 9 . 4430 . 3 2 1 PC3 H101 H 4.374 3.495 -2.877 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H101 . . . . . . . . . rr_1pbz 1 . 9 . 4431 . 3 2 1 PC3 H102 H 4.695 3.879 -1.166 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H102 . . . . . . . . . rr_1pbz 1 . 9 . 4432 . 3 2 1 PC3 H103 H 4.452 2.197 -1.670 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H103 . . . . . . . . . rr_1pbz 1 . 9 . 4433 . 3 2 1 PC3 H111 H -3.277 -0.085 -1.379 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H111 . . . . . . . . . rr_1pbz 1 . 9 . 4434 . 3 2 1 PC3 H112 H -2.926 0.589 -2.998 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H112 . . . . . . . . . rr_1pbz 1 . 9 . 4435 . 3 2 1 PC3 H113 H -4.602 0.519 -2.409 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H113 . . . . . . . . . rr_1pbz 1 . 9 . 4436 . 3 2 1 PC3 H121 H -4.063 9.800 3.224 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H121 . . . . . . . . . rr_1pbz 1 . 9 . 4437 . 3 2 1 PC3 H122 H -4.949 10.173 1.781 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H122 . . . . . . . . . rr_1pbz 1 . 9 . 4438 . 3 2 1 PC3 H141 H 3.891 8.967 1.754 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H141 . . . . . . . . . rr_1pbz 1 . 9 . 4439 . 3 2 1 PC3 H142 H 3.954 7.240 1.692 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H142 . . . . . . . . . rr_1pbz 1 . 9 . 4440 . 3 2 1 PC3 H151 H 4.972 7.690 -0.820 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H151 . . . . . . . . . rr_1pbz 1 . 9 . 4441 . 3 2 1 PC3 H152 H 5.292 9.300 -0.159 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H152 . . . . . . . . . rr_1pbz 1 . 9 . 4442 . 3 2 1 PC3 H161 H 2.943 1.171 -3.271 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H161 . . . . . . . . . rr_1pbz 1 . 9 . 4443 . 3 2 1 PC3 H162 H 1.677 0.278 -2.475 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H162 . . . . . . . . . rr_1pbz 1 . 9 . 4444 . 3 2 1 PC3 H171 H 1.588 0.328 -5.034 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H171 . . . . . . . . . rr_1pbz 1 . 9 . 4445 . 3 2 1 PC3 H172 H 0.085 0.796 -4.288 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H172 . . . . . . . . . rr_1pbz 1 . 9 . 4446 . 3 2 1 PC3 H181 H -5.901 1.377 -0.391 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H181 . . . . . . . . . rr_1pbz 1 . 9 . 4447 . 3 2 1 PC3 H182 H -6.603 2.892 -0.962 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H182 . . . . . . . . . rr_1pbz 1 . 9 . 4448 . 3 2 1 PC3 H191 H -6.915 2.346 1.570 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H191 . . . . . . . . . rr_1pbz 1 . 9 . 4449 . 3 2 1 PC3 H192 H -6.365 3.958 1.186 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H192 . . . . . . . . . rr_1pbz 1 . 9 . 4450 . 3 2 1 PC3 H221 H -2.686 11.160 0.814 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H221 . . . . . . . . . rr_1pbz 1 . 9 . 4451 . 3 2 1 PC3 H222 H -2.118 11.095 2.502 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H222 . . . . . . . . . rr_1pbz 1 . 9 . 4452 . 3 2 1 PC3 H81 H -6.467 6.497 1.827 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H81 . . . . . . . . . rr_1pbz 1 . 9 . 4453 . 3 2 1 PC3 H82 H -6.669 7.936 0.818 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H82 . . . . . . . . . rr_1pbz 1 . 9 . 4454 . 3 2 1 PC3 H83 H -6.256 8.103 2.541 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H83 . . . . . . . . . rr_1pbz 1 . 9 . 4455 . 3 2 1 PC3 H91 H 2.569 10.737 1.307 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H91 . . . . . . . . . rr_1pbz 1 . 9 . 4456 . 3 2 1 PC3 H92 H 0.922 10.669 1.982 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H92 . . . . . . . . . rr_1pbz 1 . 9 . 4457 . 3 2 1 PC3 H93 H 1.178 11.108 0.286 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H93 . . . . . . . . . rr_1pbz 1 . 9 . 4458 . 3 2 1 PC3 HA H -1.065 9.637 1.382 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HA . . . . . . . . . rr_1pbz 1 . 9 . 4459 . 3 2 1 PC3 HB H -5.461 5.045 0.395 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HB . . . . . . . . . rr_1pbz 1 . 9 . 4460 . 3 2 1 PC3 HC H -0.950 1.400 -2.335 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HC . . . . . . . . . rr_1pbz 1 . 9 . 4461 . 3 2 1 PC3 HD H 3.524 5.687 -0.534 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HD . . . . . . . . . rr_1pbz 1 . 9 . 4462 . 3 2 1 PC3 N2B N 0.412 6.896 0.102 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N2B . . . . . . . . . rr_1pbz 1 . 9 . 4463 . 3 2 1 PC3 N4B N -2.481 6.679 0.503 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N4B . . . . . . . . . rr_1pbz 1 . 9 . 4464 . 3 2 1 PC3 N6B N -2.418 4.023 -0.731 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N6B . . . . . . . . . rr_1pbz 1 . 9 . 4465 . 3 2 1 PC3 N8B N 0.477 4.213 -1.040 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N8B . . . . . . . . . rr_1pbz 1 . 9 . 4466 . 3 2 1 PC3 O1 O 6.360 6.437 0.925 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O1 . . . . . . . . . rr_1pbz 1 . 9 . 4467 . 3 2 1 PC3 O2 O 7.162 8.415 1.350 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O2 . . . . . . . . . rr_1pbz 1 . 9 . 4468 . 3 2 1 PC3 O22 O -4.816 12.660 2.319 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O22 . . . . . . . . . rr_1pbz 1 . 9 . 4469 . 3 2 1 PC3 O23 O -4.366 1.602 2.289 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O23 . . . . . . . . . rr_1pbz 1 . 9 . 4470 . 3 2 1 PC3 O3 O -2.852 13.511 1.979 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O3 . . . . . . . . . rr_1pbz 1 . 9 . 4471 . 3 2 1 PC3 O4 O -4.306 3.757 2.557 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O4 . . . . . . . . . rr_1pbz 1 . 9 . 4472 . 3 2 1 PC3 O5 O 0.269 3.264 -4.938 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O5 . . . . . . . . . rr_1pbz 1 . 10 . 1 . 1 1 2 CYS C C -3.640 -3.879 -0.147 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . rr_1pbz 1 . 10 . 2 . 1 1 2 CYS CA C -4.845 -4.817 -0.543 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 10 . 3 . 1 1 2 CYS CB C -5.986 -4.052 -1.264 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 10 . 4 . 1 1 2 CYS H H -6.303 -5.191 1.169 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H . . . . . . . . . rr_1pbz 1 . 10 . 5 . 1 1 2 CYS HA H -4.390 -5.511 -1.313 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 10 . 6 . 1 1 2 CYS HB2 H -6.741 -4.750 -1.676 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 10 . 7 . 1 1 2 CYS HB3 H -6.528 -3.372 -0.578 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 10 . 8 . 1 1 2 CYS N N -5.535 -5.563 0.574 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . rr_1pbz 1 . 10 . 9 . 1 1 2 CYS O O -2.913 -3.477 -1.060 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . rr_1pbz 1 . 10 . 10 . 1 1 2 CYS SG S -5.341 -3.052 -2.628 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 10 . 11 . 1 1 3 GLY C C -1.678 -2.487 2.833 . . . 1.0 . . . . . . . . . . . . A . 2 GLY C . . . . . . . . . rr_1pbz 1 . 10 . 12 . 1 1 3 GLY CA C -2.386 -2.468 1.463 . . . 1.0 . . . . . . . . . . . . A . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 10 . 13 . 1 1 3 GLY H H -4.010 -3.900 1.844 . . . 1.0 . . . . . . . . . . . . A . 2 GLY H . . . . . . . . . rr_1pbz 1 . 10 . 14 . 1 1 3 GLY HA2 H -1.590 -2.412 0.698 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 10 . 15 . 1 1 3 GLY HA3 H -2.911 -1.494 1.384 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 10 . 16 . 1 1 3 GLY N N -3.375 -3.530 1.134 . . . 1.0 . . . . . . . . . . . . A . 2 GLY N . . . . . . . . . rr_1pbz 1 . 10 . 17 . 1 1 3 GLY O O -1.753 -1.495 3.553 . . . 1.0 . . . . . . . . . . . . A . 2 GLY O . . . . . . . . . rr_1pbz 1 . 10 . 18 . 1 1 4 ALA C C 1.412 -2.927 4.106 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . rr_1pbz 1 . 10 . 19 . 1 1 4 ALA CA C -0.010 -3.538 4.358 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 10 . 20 . 1 1 4 ALA CB C 0.021 -4.985 4.835 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 10 . 21 . 1 1 4 ALA H H -0.992 -4.355 2.557 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . rr_1pbz 1 . 10 . 22 . 1 1 4 ALA HA H -0.460 -2.922 5.169 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 10 . 23 . 1 1 4 ALA HB1 H 0.633 -5.064 5.750 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 10 . 24 . 1 1 4 ALA HB2 H -0.998 -5.340 5.076 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 10 . 25 . 1 1 4 ALA HB3 H 0.456 -5.651 4.068 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 10 . 26 . 1 1 4 ALA N N -0.914 -3.538 3.167 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . rr_1pbz 1 . 10 . 27 . 1 1 4 ALA O O 1.913 -2.171 4.939 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . rr_1pbz 1 . 10 . 28 . 1 1 5 GLU C C 2.947 -0.958 2.198 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . rr_1pbz 1 . 10 . 29 . 1 1 5 GLU CA C 3.287 -2.472 2.520 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 10 . 30 . 1 1 5 GLU CB C 3.871 -3.243 1.338 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 10 . 31 . 1 1 5 GLU CD C 6.459 -3.215 1.831 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 10 . 32 . 1 1 5 GLU CG C 5.314 -2.868 0.891 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 10 . 33 . 1 1 5 GLU H H 1.760 -4.107 2.531 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . rr_1pbz 1 . 10 . 34 . 1 1 5 GLU HA H 4.066 -2.515 3.289 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 10 . 35 . 1 1 5 GLU HB2 H 3.877 -4.307 1.630 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 10 . 36 . 1 1 5 GLU HB3 H 3.156 -3.109 0.513 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 10 . 37 . 1 1 5 GLU HG2 H 5.554 -3.372 -0.060 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 10 . 38 . 1 1 5 GLU HG3 H 5.386 -1.788 0.670 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 10 . 39 . 1 1 5 GLU N N 2.083 -3.246 2.987 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . rr_1pbz 1 . 10 . 40 . 1 1 5 GLU O O 3.704 -0.036 2.512 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . rr_1pbz 1 . 10 . 41 . 1 1 5 GLU OE1 O 6.355 -4.149 2.654 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 10 . 42 . 1 1 5 GLU OE2 O 7.501 -2.529 1.781 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 10 . 43 . 1 1 6 ALA C C 0.921 1.298 2.922 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . rr_1pbz 1 . 10 . 44 . 1 1 6 ALA CA C 1.145 0.644 1.518 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 10 . 45 . 1 1 6 ALA CB C -0.217 0.450 0.837 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 10 . 46 . 1 1 6 ALA H H 1.246 -1.604 1.486 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . rr_1pbz 1 . 10 . 47 . 1 1 6 ALA HA H 1.768 1.362 0.914 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 10 . 48 . 1 1 6 ALA HB1 H -0.132 -0.051 -0.141 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 10 . 49 . 1 1 6 ALA HB2 H -0.883 -0.163 1.472 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 10 . 50 . 1 1 6 ALA HB3 H -0.742 1.406 0.712 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 10 . 51 . 1 1 6 ALA N N 1.757 -0.714 1.605 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . rr_1pbz 1 . 10 . 52 . 1 1 6 ALA O O 1.321 2.445 3.070 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . rr_1pbz 1 . 10 . 53 . 1 1 7 ALA C C 1.683 1.380 6.011 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_1pbz 1 . 10 . 54 . 1 1 7 ALA CA C 0.287 1.102 5.338 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 10 . 55 . 1 1 7 ALA CB C -0.382 -0.025 6.107 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 10 . 56 . 1 1 7 ALA H H -0.058 -0.312 3.684 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_1pbz 1 . 10 . 57 . 1 1 7 ALA HA H -0.389 1.998 5.424 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 10 . 58 . 1 1 7 ALA HB1 H -1.373 -0.264 5.694 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 10 . 59 . 1 1 7 ALA HB2 H -0.483 0.255 7.166 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 10 . 60 . 1 1 7 ALA HB3 H 0.241 -0.936 6.080 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 10 . 61 . 1 1 7 ALA N N 0.316 0.623 3.925 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_1pbz 1 . 10 . 62 . 1 1 7 ALA O O 1.815 2.386 6.712 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_1pbz 1 . 10 . 63 . 1 1 8 LYS C C 4.690 2.151 5.562 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1pbz 1 . 10 . 64 . 1 1 8 LYS CA C 4.129 0.810 6.187 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 10 . 65 . 1 1 8 LYS CB C 4.848 -0.502 5.764 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 10 . 66 . 1 1 8 LYS CD C 6.828 -1.881 5.139 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 10 . 67 . 1 1 8 LYS CE C 8.296 -2.311 5.271 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 10 . 68 . 1 1 8 LYS CG C 6.366 -0.683 6.003 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 10 . 69 . 1 1 8 LYS H H 2.461 -0.370 5.288 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1pbz 1 . 10 . 70 . 1 1 8 LYS HA H 4.184 0.950 7.292 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 10 . 71 . 1 1 8 LYS HB2 H 4.336 -1.370 6.232 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 10 . 72 . 1 1 8 LYS HB3 H 4.661 -0.632 4.679 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 10 . 73 . 1 1 8 LYS HD2 H 6.170 -2.758 5.326 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 10 . 74 . 1 1 8 LYS HD3 H 6.619 -1.606 4.081 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 10 . 75 . 1 1 8 LYS HE2 H 8.963 -1.425 5.172 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 10 . 76 . 1 1 8 LYS HE3 H 8.494 -2.738 6.279 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 10 . 77 . 1 1 8 LYS HG2 H 6.915 0.236 5.712 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 10 . 78 . 1 1 8 LYS HG3 H 6.572 -0.840 7.081 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 10 . 79 . 1 1 8 LYS HZ1 H 7.836 -4.046 4.116 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 10 . 80 . 1 1 8 LYS HZ2 H 8.298 -2.893 3.238 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 10 . 81 . 1 1 8 LYS HZ3 H 9.476 -3.706 4.074 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 10 . 82 . 1 1 8 LYS N N 2.706 0.512 5.802 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1pbz 1 . 10 . 83 . 1 1 8 LYS NZ N 8.546 -3.294 4.179 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 10 . 84 . 1 1 8 LYS O O 5.256 2.983 6.278 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1pbz 1 . 10 . 85 . 1 1 9 ALA C C 3.791 4.868 4.162 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_1pbz 1 . 10 . 86 . 1 1 9 ALA CA C 4.686 3.699 3.598 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 10 . 87 . 1 1 9 ALA CB C 4.360 3.498 2.131 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 10 . 88 . 1 1 9 ALA H H 4.164 1.554 3.722 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_1pbz 1 . 10 . 89 . 1 1 9 ALA HA H 5.758 3.969 3.584 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 10 . 90 . 1 1 9 ALA HB1 H 4.571 4.440 1.598 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 10 . 91 . 1 1 9 ALA HB2 H 4.987 2.699 1.705 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 10 . 92 . 1 1 9 ALA HB3 H 3.299 3.246 1.993 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 10 . 93 . 1 1 9 ALA N N 4.480 2.377 4.249 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_1pbz 1 . 10 . 94 . 1 1 9 ALA O O 4.271 5.982 4.342 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_1pbz 1 . 10 . 95 . 1 1 10 HIS C C 2.124 6.034 6.589 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_1pbz 1 . 10 . 96 . 1 1 10 HIS CA C 1.601 5.589 5.167 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 10 . 97 . 1 1 10 HIS CB C 0.173 4.980 5.058 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 10 . 98 . 1 1 10 HIS CD2 C -0.226 5.311 2.462 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 10 . 99 . 1 1 10 HIS CE1 C -1.710 3.748 2.117 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 10 . 100 . 1 1 10 HIS CG C -0.500 4.710 3.680 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 10 . 101 . 1 1 10 HIS H H 2.169 3.663 4.208 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_1pbz 1 . 10 . 102 . 1 1 10 HIS HA H 1.613 6.565 4.658 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 10 . 103 . 1 1 10 HIS HB2 H 0.222 4.023 5.605 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 10 . 104 . 1 1 10 HIS HB3 H -0.505 5.606 5.650 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 10 . 105 . 1 1 10 HIS HD1 H -1.945 3.122 4.191 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 10 . 106 . 1 1 10 HIS HD2 H 0.496 6.085 2.263 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 10 . 107 . 1 1 10 HIS HE1 H -2.401 3.047 1.648 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 10 . 108 . 1 1 10 HIS N N 2.487 4.631 4.431 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_1pbz 1 . 10 . 109 . 1 1 10 HIS ND1 N -1.418 3.666 3.495 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 10 . 110 . 1 1 10 HIS NE2 N -1.026 4.759 1.527 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 10 . 111 . 1 1 10 HIS O O 2.148 7.242 6.847 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_1pbz 1 . 10 . 112 . 1 1 11 ALA C C 4.709 6.267 8.370 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_1pbz 1 . 10 . 113 . 1 1 11 ALA CA C 3.378 5.480 8.671 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 10 . 114 . 1 1 11 ALA CB C 3.638 4.098 9.320 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 10 . 115 . 1 1 11 ALA H H 1.968 4.308 7.637 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_1pbz 1 . 10 . 116 . 1 1 11 ALA HA H 2.778 6.117 9.347 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 10 . 117 . 1 1 11 ALA HB1 H 4.209 3.427 8.644 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 10 . 118 . 1 1 11 ALA HB2 H 2.708 3.559 9.581 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 10 . 119 . 1 1 11 ALA HB3 H 4.239 4.187 10.241 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 10 . 120 . 1 1 11 ALA N N 2.574 5.122 7.476 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_1pbz 1 . 10 . 121 . 1 1 11 ALA O O 4.921 7.344 8.939 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_1pbz 1 . 10 . 122 . 1 1 12 LYS C C 6.467 8.065 6.553 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_1pbz 1 . 10 . 123 . 1 1 12 LYS CA C 6.752 6.569 6.953 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 10 . 124 . 1 1 12 LYS CB C 7.495 5.767 5.849 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 10 . 125 . 1 1 12 LYS CD C 10.100 6.308 6.099 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 10 . 126 . 1 1 12 LYS CE C 10.206 7.042 7.456 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 10 . 127 . 1 1 12 LYS CG C 8.794 6.394 5.265 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 10 . 128 . 1 1 12 LYS H H 5.091 5.043 6.879 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_1pbz 1 . 10 . 129 . 1 1 12 LYS HA H 7.432 6.627 7.815 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 10 . 130 . 1 1 12 LYS HB2 H 7.699 4.737 6.200 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 10 . 131 . 1 1 12 LYS HB3 H 6.791 5.640 5.002 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 10 . 132 . 1 1 12 LYS HD2 H 10.327 5.238 6.269 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 10 . 133 . 1 1 12 LYS HD3 H 10.933 6.651 5.454 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 10 . 134 . 1 1 12 LYS HE2 H 9.545 6.573 8.218 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 10 . 135 . 1 1 12 LYS HE3 H 11.211 6.876 7.909 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 10 . 136 . 1 1 12 LYS HG2 H 8.983 5.888 4.296 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 10 . 137 . 1 1 12 LYS HG3 H 8.602 7.438 4.941 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 10 . 138 . 1 1 12 LYS HZ1 H 10.525 9.033 6.726 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 10 . 139 . 1 1 12 LYS HZ2 H 8.951 8.732 7.149 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 10 . 140 . 1 1 12 LYS HZ3 H 10.073 8.950 8.317 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 10 . 141 . 1 1 12 LYS N N 5.559 5.784 7.433 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_1pbz 1 . 10 . 142 . 1 1 12 LYS NZ N 9.936 8.503 7.372 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 10 . 143 . 1 1 12 LYS O O 7.149 8.982 7.038 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_1pbz 1 . 10 . 144 . 1 1 13 ALA C C 4.459 10.398 6.763 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . rr_1pbz 1 . 10 . 145 . 1 1 13 ALA CA C 4.872 9.625 5.464 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 10 . 146 . 1 1 13 ALA CB C 3.721 9.434 4.450 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 10 . 147 . 1 1 13 ALA H H 5.205 7.487 5.126 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . rr_1pbz 1 . 10 . 148 . 1 1 13 ALA HA H 5.694 10.185 4.982 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 10 . 149 . 1 1 13 ALA HB1 H 3.187 10.379 4.257 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 10 . 150 . 1 1 13 ALA HB2 H 4.109 9.096 3.479 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 10 . 151 . 1 1 13 ALA HB3 H 2.975 8.695 4.791 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 10 . 152 . 1 1 13 ALA N N 5.424 8.287 5.739 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . rr_1pbz 1 . 10 . 153 . 1 1 13 ALA O O 5.202 11.279 7.201 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . rr_1pbz 1 . 10 . 154 . 1 1 14 ALA C C 4.108 10.614 9.913 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_1pbz 1 . 10 . 155 . 1 1 14 ALA CA C 2.996 10.524 8.799 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 10 . 156 . 1 1 14 ALA CB C 1.879 9.551 9.227 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 10 . 157 . 1 1 14 ALA H H 2.858 9.256 7.015 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_1pbz 1 . 10 . 158 . 1 1 14 ALA HA H 2.567 11.540 8.711 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 10 . 159 . 1 1 14 ALA HB1 H 1.460 9.824 10.211 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 10 . 160 . 1 1 14 ALA HB2 H 1.037 9.522 8.510 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 10 . 161 . 1 1 14 ALA HB3 H 2.262 8.515 9.320 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 10 . 162 . 1 1 14 ALA N N 3.350 10.044 7.432 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_1pbz 1 . 10 . 163 . 1 1 14 ALA O O 3.888 11.278 10.928 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_1pbz 1 . 10 . 164 . 1 1 15 GLU C C 7.265 11.477 10.155 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . rr_1pbz 1 . 10 . 165 . 1 1 15 GLU CA C 6.481 10.192 10.579 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 10 . 166 . 1 1 15 GLU CB C 7.288 8.868 10.609 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 10 . 167 . 1 1 15 GLU CD C 9.876 8.645 10.564 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 10 . 168 . 1 1 15 GLU CG C 8.635 8.879 11.403 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 10 . 169 . 1 1 15 GLU H H 5.322 9.657 8.696 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . rr_1pbz 1 . 10 . 170 . 1 1 15 GLU HA H 6.149 10.370 11.621 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 10 . 171 . 1 1 15 GLU HB2 H 6.624 8.096 11.045 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 10 . 172 . 1 1 15 GLU HB3 H 7.451 8.526 9.572 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 10 . 173 . 1 1 15 GLU HG2 H 8.790 9.829 11.946 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 10 . 174 . 1 1 15 GLU HG3 H 8.630 8.102 12.186 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 10 . 175 . 1 1 15 GLU N N 5.280 9.990 9.702 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . rr_1pbz 1 . 10 . 176 . 1 1 15 GLU O O 7.356 12.433 10.929 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . rr_1pbz 1 . 10 . 177 . 1 1 15 GLU OE1 O 10.302 9.568 9.838 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 10 . 178 . 1 1 15 GLU OE2 O 10.348 7.495 10.487 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 10 . 179 . 1 1 16 ALA C C 7.174 13.526 7.492 . . . 1.0 . . . . . . . . . . . . A . 15 ALA C . . . . . . . . . rr_1pbz 1 . 10 . 180 . 1 1 16 ALA CA C 8.292 12.793 8.318 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 10 . 181 . 1 1 16 ALA CB C 9.423 12.288 7.430 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 10 . 182 . 1 1 16 ALA H H 7.573 10.691 8.348 . . . 1.0 . . . . . . . . . . . . A . 15 ALA H . . . . . . . . . rr_1pbz 1 . 10 . 183 . 1 1 16 ALA HA H 8.727 13.475 9.081 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 10 . 184 . 1 1 16 ALA HB1 H 9.898 13.149 6.933 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 10 . 185 . 1 1 16 ALA HB2 H 10.180 11.752 8.028 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 10 . 186 . 1 1 16 ALA HB3 H 9.023 11.622 6.640 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 10 . 187 . 1 1 16 ALA N N 7.770 11.532 8.912 . . . 1.0 . . . . . . . . . . . . A . 15 ALA N . . . . . . . . . rr_1pbz 1 . 10 . 188 . 1 1 16 ALA O O 7.383 13.908 6.339 . . . 1.0 . . . . . . . . . . . . A . 15 ALA O . . . . . . . . . rr_1pbz 1 . 10 . 189 . 1 1 17 GLY C C 4.613 14.525 6.059 . . . 1.0 . . . . . . . . . . . . A . 16 GLY C . . . . . . . . . rr_1pbz 1 . 10 . 190 . 1 1 17 GLY CA C 4.712 14.209 7.573 . . . 1.0 . . . . . . . . . . . . A . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 10 . 191 . 1 1 17 GLY H H 6.071 12.883 8.606 . . . 1.0 . . . . . . . . . . . . A . 16 GLY H . . . . . . . . . rr_1pbz 1 . 10 . 192 . 1 1 17 GLY HA2 H 3.956 13.441 7.864 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 10 . 193 . 1 1 17 GLY HA3 H 4.327 15.095 8.102 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 10 . 194 . 1 1 17 GLY N N 6.051 13.829 8.173 . . . 1.0 . . . . . . . . . . . . A . 16 GLY N . . . . . . . . . rr_1pbz 1 . 10 . 195 . 1 1 17 GLY O O 4.601 15.630 5.521 . . . 1.0 . . . . . . . . . . . . A . 16 GLY O . . . . . . . . . rr_1pbz 1 . 10 . 196 . 1 1 18 CYS C C 6.002 13.599 3.365 . . . 1.0 . . . . . . . . . . . . A . 17 CYS C . . . . . . . . . rr_1pbz 1 . 10 . 197 . 1 1 18 CYS CA C 4.769 12.965 4.055 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 10 . 198 . 1 1 18 CYS CB C 3.465 13.158 3.257 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 10 . 199 . 1 1 18 CYS H H 4.709 12.668 6.271 . . . 1.0 . . . . . . . . . . . . A . 17 CYS H . . . . . . . . . rr_1pbz 1 . 10 . 200 . 1 1 18 CYS HA H 4.999 11.860 4.111 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 10 . 201 . 1 1 18 CYS HB2 H 3.564 12.678 2.267 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 10 . 202 . 1 1 18 CYS HB3 H 2.622 12.651 3.760 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 10 . 203 . 1 1 18 CYS N N 4.589 13.330 5.478 . . . 1.0 . . . . . . . . . . . . A . 17 CYS N . . . . . . . . . rr_1pbz 1 . 10 . 204 . 1 1 18 CYS O O 6.321 13.385 2.192 . . . 1.0 . . . . . . . . . . . . A . 17 CYS O . . . . . . . . . rr_1pbz 1 . 10 . 205 . 1 1 18 CYS SG S 3.047 14.901 3.023 . . . 1.0 . . . . . . . . . . . . A . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 10 . 206 . 1 1 19 NH2 HN1 H 6.382 14.567 5.112 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 10 . 207 . 1 1 19 NH2 HN2 H 7.506 14.904 3.778 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 10 . 208 . 1 1 19 NH2 N N 6.680 14.417 4.142 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 10 . 209 . 2 1 2 CYS C C -7.078 0.974 -4.810 . . . 1.0 . . . . . . . . . . . . B . 1 CYS C . . . . . . . . . rr_1pbz 1 . 10 . 210 . 2 1 2 CYS CA C -8.071 0.308 -3.780 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 10 . 211 . 2 1 2 CYS CB C -7.380 -0.701 -2.838 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 10 . 212 . 2 1 2 CYS H H -9.289 -1.456 -4.517 . . . 1.0 . . . . . . . . . . . . B . 1 CYS H . . . . . . . . . rr_1pbz 1 . 10 . 213 . 2 1 2 CYS HA H -8.389 1.165 -3.121 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 10 . 214 . 2 1 2 CYS HB2 H -6.505 -0.234 -2.356 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 10 . 215 . 2 1 2 CYS HB3 H -8.050 -0.977 -2.001 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 10 . 216 . 2 1 2 CYS N N -9.251 -0.439 -4.341 . . . 1.0 . . . . . . . . . . . . B . 1 CYS N . . . . . . . . . rr_1pbz 1 . 10 . 217 . 2 1 2 CYS O O -6.345 1.880 -4.414 . . . 1.0 . . . . . . . . . . . . B . 1 CYS O . . . . . . . . . rr_1pbz 1 . 10 . 218 . 2 1 2 CYS SG S -6.840 -2.214 -3.666 . . . 1.0 . . . . . . . . . . . . B . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 10 . 219 . 2 1 3 GLY C C -6.630 2.745 -7.571 . . . 1.0 . . . . . . . . . . . . B . 2 GLY C . . . . . . . . . rr_1pbz 1 . 10 . 220 . 2 1 3 GLY CA C -6.234 1.303 -7.148 . . . 1.0 . . . . . . . . . . . . B . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 10 . 221 . 2 1 3 GLY H H -7.687 -0.183 -6.321 . . . 1.0 . . . . . . . . . . . . B . 2 GLY H . . . . . . . . . rr_1pbz 1 . 10 . 222 . 2 1 3 GLY HA2 H -5.180 1.341 -6.809 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 10 . 223 . 2 1 3 GLY HA3 H -6.200 0.690 -8.067 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 10 . 224 . 2 1 3 GLY N N -7.055 0.597 -6.110 . . . 1.0 . . . . . . . . . . . . B . 2 GLY N . . . . . . . . . rr_1pbz 1 . 10 . 225 . 2 1 3 GLY O O -5.755 3.577 -7.803 . . . 1.0 . . . . . . . . . . . . B . 2 GLY O . . . . . . . . . rr_1pbz 1 . 10 . 226 . 2 1 4 ALA C C -8.369 5.341 -6.583 . . . 1.0 . . . . . . . . . . . . B . 3 ALA C . . . . . . . . . rr_1pbz 1 . 10 . 227 . 2 1 4 ALA CA C -8.391 4.461 -7.878 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 10 . 228 . 2 1 4 ALA CB C -9.771 4.358 -8.515 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 10 . 229 . 2 1 4 ALA H H -8.586 2.286 -7.588 . . . 1.0 . . . . . . . . . . . . B . 3 ALA H . . . . . . . . . rr_1pbz 1 . 10 . 230 . 2 1 4 ALA HA H -7.722 4.984 -8.607 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 10 . 231 . 2 1 4 ALA HB1 H -10.487 3.847 -7.846 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 10 . 232 . 2 1 4 ALA HB2 H -10.160 5.368 -8.731 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 10 . 233 . 2 1 4 ALA HB3 H -9.722 3.808 -9.472 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 10 . 234 . 2 1 4 ALA N N -7.926 3.057 -7.707 . . . 1.0 . . . . . . . . . . . . B . 3 ALA N . . . . . . . . . rr_1pbz 1 . 10 . 235 . 2 1 4 ALA O O -8.015 6.514 -6.708 . . . 1.0 . . . . . . . . . . . . B . 3 ALA O . . . . . . . . . rr_1pbz 1 . 10 . 236 . 2 1 5 GLU C C -6.907 5.870 -3.909 . . . 1.0 . . . . . . . . . . . . B . 4 GLU C . . . . . . . . . rr_1pbz 1 . 10 . 237 . 2 1 5 GLU CA C -8.421 5.577 -4.090 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 10 . 238 . 2 1 5 GLU CB C -9.036 4.893 -2.844 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 10 . 239 . 2 1 5 GLU CD C -9.169 7.096 -1.378 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 10 . 240 . 2 1 5 GLU CG C -8.795 5.621 -1.476 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 10 . 241 . 2 1 5 GLU H H -9.199 3.938 -5.390 . . . 1.0 . . . . . . . . . . . . B . 4 GLU H . . . . . . . . . rr_1pbz 1 . 10 . 242 . 2 1 5 GLU HA H -8.876 6.571 -4.196 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 10 . 243 . 2 1 5 GLU HB2 H -10.124 4.785 -3.007 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 10 . 244 . 2 1 5 GLU HB3 H -8.645 3.859 -2.775 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 10 . 245 . 2 1 5 GLU HG2 H -9.355 5.110 -0.674 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 10 . 246 . 2 1 5 GLU HG3 H -7.738 5.545 -1.176 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 10 . 247 . 2 1 5 GLU N N -8.707 4.835 -5.366 . . . 1.0 . . . . . . . . . . . . B . 4 GLU N . . . . . . . . . rr_1pbz 1 . 10 . 248 . 2 1 5 GLU O O -6.540 6.994 -3.577 . . . 1.0 . . . . . . . . . . . . B . 4 GLU O . . . . . . . . . rr_1pbz 1 . 10 . 249 . 2 1 5 GLU OE1 O -10.379 7.382 -1.413 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 10 . 250 . 2 1 5 GLU OE2 O -8.296 7.975 -1.294 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 10 . 251 . 2 1 6 ALA C C -4.344 6.352 -5.354 . . . 1.0 . . . . . . . . . . . . B . 5 ALA C . . . . . . . . . rr_1pbz 1 . 10 . 252 . 2 1 6 ALA CA C -4.573 5.182 -4.361 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 10 . 253 . 2 1 6 ALA CB C -3.913 3.928 -4.944 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 10 . 254 . 2 1 6 ALA H H -6.530 4.092 -4.595 . . . 1.0 . . . . . . . . . . . . B . 5 ALA H . . . . . . . . . rr_1pbz 1 . 10 . 255 . 2 1 6 ALA HA H -4.067 5.481 -3.406 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 10 . 256 . 2 1 6 ALA HB1 H -3.978 3.065 -4.276 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 10 . 257 . 2 1 6 ALA HB2 H -2.866 4.120 -5.239 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 10 . 258 . 2 1 6 ALA HB3 H -4.410 3.647 -5.888 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 10 . 259 . 2 1 6 ALA N N -6.023 4.894 -4.180 . . . 1.0 . . . . . . . . . . . . B . 5 ALA N . . . . . . . . . rr_1pbz 1 . 10 . 260 . 2 1 6 ALA O O -3.828 7.373 -4.919 . . . 1.0 . . . . . . . . . . . . B . 5 ALA O . . . . . . . . . rr_1pbz 1 . 10 . 261 . 2 1 7 ALA C C -4.940 8.767 -7.268 . . . 1.0 . . . . . . . . . . . . B . 6 ALA C . . . . . . . . . rr_1pbz 1 . 10 . 262 . 2 1 7 ALA CA C -4.483 7.288 -7.619 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 10 . 263 . 2 1 7 ALA CB C -5.187 6.783 -8.873 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 10 . 264 . 2 1 7 ALA H H -5.396 5.449 -6.841 . . . 1.0 . . . . . . . . . . . . B . 6 ALA H . . . . . . . . . rr_1pbz 1 . 10 . 265 . 2 1 7 ALA HA H -3.382 7.167 -7.735 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 10 . 266 . 2 1 7 ALA HB1 H -6.283 6.779 -8.718 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 10 . 267 . 2 1 7 ALA HB2 H -4.970 7.462 -9.711 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 10 . 268 . 2 1 7 ALA HB3 H -4.864 5.761 -9.132 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 10 . 269 . 2 1 7 ALA N N -4.797 6.264 -6.614 . . . 1.0 . . . . . . . . . . . . B . 6 ALA N . . . . . . . . . rr_1pbz 1 . 10 . 270 . 2 1 7 ALA O O -4.130 9.696 -7.227 . . . 1.0 . . . . . . . . . . . . B . 6 ALA O . . . . . . . . . rr_1pbz 1 . 10 . 271 . 2 1 8 LYS C C -6.180 10.684 -5.092 . . . 1.0 . . . . . . . . . . . . B . 7 LYS C . . . . . . . . . rr_1pbz 1 . 10 . 272 . 2 1 8 LYS CA C -6.886 10.132 -6.368 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 10 . 273 . 2 1 8 LYS CB C -8.352 9.647 -6.076 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 10 . 274 . 2 1 8 LYS CD C -10.115 9.731 -4.223 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 10 . 275 . 2 1 8 LYS CE C -10.814 10.572 -3.144 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 10 . 276 . 2 1 8 LYS CG C -9.304 10.562 -5.250 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 10 . 277 . 2 1 8 LYS H H -6.762 8.025 -6.984 . . . 1.0 . . . . . . . . . . . . B . 7 LYS H . . . . . . . . . rr_1pbz 1 . 10 . 278 . 2 1 8 LYS HA H -6.836 10.959 -7.120 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 10 . 279 . 2 1 8 LYS HB2 H -8.854 9.341 -7.014 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 10 . 280 . 2 1 8 LYS HB3 H -8.258 8.684 -5.524 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 10 . 281 . 2 1 8 LYS HD2 H -10.832 9.076 -4.761 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 10 . 282 . 2 1 8 LYS HD3 H -9.420 9.028 -3.707 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 10 . 283 . 2 1 8 LYS HE2 H -10.051 11.193 -2.621 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 10 . 284 . 2 1 8 LYS HE3 H -11.538 11.285 -3.596 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 10 . 285 . 2 1 8 LYS HG2 H -8.720 11.334 -4.711 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 10 . 286 . 2 1 8 LYS HG3 H -9.969 11.134 -5.927 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 10 . 287 . 2 1 8 LYS HZ1 H -11.752 10.021 -1.281 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 10 . 288 . 2 1 8 LYS HZ2 H -10.821 8.847 -1.897 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 10 . 289 . 2 1 8 LYS HZ3 H -12.248 9.093 -2.566 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 10 . 290 . 2 1 8 LYS N N -6.247 8.917 -6.955 . . . 1.0 . . . . . . . . . . . . B . 7 LYS N . . . . . . . . . rr_1pbz 1 . 10 . 291 . 2 1 8 LYS NZ N -11.466 9.637 -2.186 . . . 1.0 . . . . . . . . . . . . B . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 10 . 292 . 2 1 8 LYS O O -5.768 11.840 -5.099 . . . 1.0 . . . . . . . . . . . . B . 7 LYS O . . . . . . . . . rr_1pbz 1 . 10 . 293 . 2 1 9 ALA C C -3.681 10.663 -3.186 . . . 1.0 . . . . . . . . . . . . B . 8 ALA C . . . . . . . . . rr_1pbz 1 . 10 . 294 . 2 1 9 ALA CA C -5.156 10.273 -2.869 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 10 . 295 . 2 1 9 ALA CB C -5.028 9.031 -2.018 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 10 . 296 . 2 1 9 ALA H H -6.409 8.945 -4.094 . . . 1.0 . . . . . . . . . . . . B . 8 ALA H . . . . . . . . . rr_1pbz 1 . 10 . 297 . 2 1 9 ALA HA H -5.653 11.033 -2.231 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 10 . 298 . 2 1 9 ALA HB1 H -6.010 8.713 -1.644 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 10 . 299 . 2 1 9 ALA HB2 H -4.385 9.275 -1.162 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 10 . 300 . 2 1 9 ALA HB3 H -4.558 8.209 -2.587 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 10 . 301 . 2 1 9 ALA N N -6.027 9.899 -4.011 . . . 1.0 . . . . . . . . . . . . B . 8 ALA N . . . . . . . . . rr_1pbz 1 . 10 . 302 . 2 1 9 ALA O O -3.067 11.403 -2.420 . . . 1.0 . . . . . . . . . . . . B . 8 ALA O . . . . . . . . . rr_1pbz 1 . 10 . 303 . 2 1 10 HIS C C -1.530 11.739 -5.236 . . . 1.0 . . . . . . . . . . . . B . 9 HIS C . . . . . . . . . rr_1pbz 1 . 10 . 304 . 2 1 10 HIS CA C -1.651 10.324 -4.583 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 10 . 305 . 2 1 10 HIS CB C -1.182 9.031 -5.290 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 10 . 306 . 2 1 10 HIS CD2 C -1.294 7.683 -2.996 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 10 . 307 . 2 1 10 HIS CE1 C -1.021 5.684 -3.825 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 10 . 308 . 2 1 10 HIS CG C -1.059 7.781 -4.380 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 10 . 309 . 2 1 10 HIS H H -3.677 9.469 -4.848 . . . 1.0 . . . . . . . . . . . . B . 9 HIS H . . . . . . . . . rr_1pbz 1 . 10 . 310 . 2 1 10 HIS HA H -1.026 10.400 -3.670 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 10 . 311 . 2 1 10 HIS HB2 H -1.890 8.800 -6.114 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 10 . 312 . 2 1 10 HIS HB3 H -0.222 9.222 -5.789 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 10 . 313 . 2 1 10 HIS HD1 H -0.643 6.255 -5.905 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 10 . 314 . 2 1 10 HIS HD2 H -1.517 8.500 -2.312 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 10 . 315 . 2 1 10 HIS HE1 H -0.955 4.608 -3.929 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 10 . 316 . 2 1 10 HIS N N -3.069 10.055 -4.220 . . . 1.0 . . . . . . . . . . . . B . 9 HIS N . . . . . . . . . rr_1pbz 1 . 10 . 317 . 2 1 10 HIS ND1 N -0.928 6.516 -4.950 . . . 1.0 . . . . . . . . . . . . B . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 10 . 318 . 2 1 10 HIS NE2 N -1.195 6.383 -2.677 . . . 1.0 . . . . . . . . . . . . B . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 10 . 319 . 2 1 10 HIS O O -0.766 12.553 -4.712 . . . 1.0 . . . . . . . . . . . . B . 9 HIS O . . . . . . . . . rr_1pbz 1 . 10 . 320 . 2 1 11 ALA C C -3.009 14.473 -5.638 . . . 1.0 . . . . . . . . . . . . B . 10 ALA C . . . . . . . . . rr_1pbz 1 . 10 . 321 . 2 1 11 ALA CA C -2.592 13.427 -6.747 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 10 . 322 . 2 1 11 ALA CB C -3.734 13.187 -7.776 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 10 . 323 . 2 1 11 ALA H H -2.753 11.265 -6.795 . . . 1.0 . . . . . . . . . . . . B . 10 ALA H . . . . . . . . . rr_1pbz 1 . 10 . 324 . 2 1 11 ALA HA H -1.685 13.821 -7.239 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 10 . 325 . 2 1 11 ALA HB1 H -4.642 12.754 -7.301 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 10 . 326 . 2 1 11 ALA HB2 H -4.073 14.128 -8.244 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 10 . 327 . 2 1 11 ALA HB3 H -3.458 12.492 -8.592 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 10 . 328 . 2 1 11 ALA N N -2.350 12.045 -6.262 . . . 1.0 . . . . . . . . . . . . B . 10 ALA N . . . . . . . . . rr_1pbz 1 . 10 . 329 . 2 1 11 ALA O O -2.371 15.518 -5.496 . . . 1.0 . . . . . . . . . . . . B . 10 ALA O . . . . . . . . . rr_1pbz 1 . 10 . 330 . 2 1 12 LYS C C -3.486 15.362 -2.596 . . . 1.0 . . . . . . . . . . . . B . 11 LYS C . . . . . . . . . rr_1pbz 1 . 10 . 331 . 2 1 12 LYS CA C -4.533 15.024 -3.715 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 10 . 332 . 2 1 12 LYS CB C -5.801 14.300 -3.187 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 10 . 333 . 2 1 12 LYS CD C -6.679 14.202 -0.794 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 10 . 334 . 2 1 12 LYS CE C -7.338 14.971 0.355 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 10 . 335 . 2 1 12 LYS CG C -6.610 15.036 -2.090 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 10 . 336 . 2 1 12 LYS H H -4.227 13.130 -4.854 . . . 1.0 . . . . . . . . . . . . B . 11 LYS H . . . . . . . . . rr_1pbz 1 . 10 . 337 . 2 1 12 LYS HA H -4.847 15.998 -4.147 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 10 . 338 . 2 1 12 LYS HB2 H -6.477 14.107 -4.040 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 10 . 339 . 2 1 12 LYS HB3 H -5.493 13.292 -2.843 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 10 . 340 . 2 1 12 LYS HD2 H -7.200 13.242 -0.976 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 10 . 341 . 2 1 12 LYS HD3 H -5.638 13.920 -0.516 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 10 . 342 . 2 1 12 LYS HE2 H -6.893 15.993 0.403 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 10 . 343 . 2 1 12 LYS HE3 H -8.422 15.129 0.172 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 10 . 344 . 2 1 12 LYS HG2 H -6.151 16.029 -1.888 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 10 . 345 . 2 1 12 LYS HG3 H -7.622 15.283 -2.466 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 10 . 346 . 2 1 12 LYS HZ1 H -7.241 14.749 2.517 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 10 . 347 . 2 1 12 LYS HZ2 H -6.059 13.979 1.714 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 10 . 348 . 2 1 12 LYS HZ3 H -7.427 13.298 1.726 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 10 . 349 . 2 1 12 LYS N N -4.036 14.147 -4.826 . . . 1.0 . . . . . . . . . . . . B . 11 LYS N . . . . . . . . . rr_1pbz 1 . 10 . 350 . 2 1 12 LYS NZ N -7.074 14.262 1.632 . . . 1.0 . . . . . . . . . . . . B . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 10 . 351 . 2 1 12 LYS O O -3.393 16.506 -2.144 . . . 1.0 . . . . . . . . . . . . B . 11 LYS O . . . . . . . . . rr_1pbz 1 . 10 . 352 . 2 1 13 ALA C C -0.439 15.424 -2.057 . . . 1.0 . . . . . . . . . . . . B . 12 ALA C . . . . . . . . . rr_1pbz 1 . 10 . 353 . 2 1 13 ALA CA C -1.520 14.572 -1.302 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 10 . 354 . 2 1 13 ALA CB C -1.065 13.190 -0.801 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 10 . 355 . 2 1 13 ALA H H -3.011 13.437 -2.477 . . . 1.0 . . . . . . . . . . . . B . 12 ALA H . . . . . . . . . rr_1pbz 1 . 10 . 356 . 2 1 13 ALA HA H -1.845 15.154 -0.421 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 10 . 357 . 2 1 13 ALA HB1 H -0.203 13.288 -0.121 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 10 . 358 . 2 1 13 ALA HB2 H -0.764 12.528 -1.634 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 10 . 359 . 2 1 13 ALA HB3 H -1.871 12.690 -0.235 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 10 . 360 . 2 1 13 ALA N N -2.713 14.358 -2.149 . . . 1.0 . . . . . . . . . . . . B . 12 ALA N . . . . . . . . . rr_1pbz 1 . 10 . 361 . 2 1 13 ALA O O -0.275 16.585 -1.739 . . . 1.0 . . . . . . . . . . . . B . 12 ALA O . . . . . . . . . rr_1pbz 1 . 10 . 362 . 2 1 14 ALA C C 0.711 17.282 -4.338 . . . 1.0 . . . . . . . . . . . . B . 13 ALA C . . . . . . . . . rr_1pbz 1 . 10 . 363 . 2 1 14 ALA CA C 1.095 15.768 -4.022 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 10 . 364 . 2 1 14 ALA CB C 1.158 14.900 -5.289 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 10 . 365 . 2 1 14 ALA H H -0.030 13.971 -3.220 . . . 1.0 . . . . . . . . . . . . B . 13 ALA H . . . . . . . . . rr_1pbz 1 . 10 . 366 . 2 1 14 ALA HA H 2.113 15.819 -3.596 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 10 . 367 . 2 1 14 ALA HB1 H 1.818 15.344 -6.051 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 10 . 368 . 2 1 14 ALA HB2 H 0.153 14.796 -5.744 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 10 . 369 . 2 1 14 ALA HB3 H 1.525 13.877 -5.079 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 10 . 370 . 2 1 14 ALA N N 0.244 14.938 -3.089 . . . 1.0 . . . . . . . . . . . . B . 13 ALA N . . . . . . . . . rr_1pbz 1 . 10 . 371 . 2 1 14 ALA O O 1.581 18.128 -4.551 . . . 1.0 . . . . . . . . . . . . B . 13 ALA O . . . . . . . . . rr_1pbz 1 . 10 . 372 . 2 1 15 GLU C C -1.178 19.585 -2.908 . . . 1.0 . . . . . . . . . . . . B . 14 GLU C . . . . . . . . . rr_1pbz 1 . 10 . 373 . 2 1 15 GLU CA C -1.220 18.915 -4.348 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 10 . 374 . 2 1 15 GLU CB C -2.653 18.692 -4.938 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 10 . 375 . 2 1 15 GLU CD C -5.131 19.455 -4.835 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 10 . 376 . 2 1 15 GLU CG C -3.668 19.876 -4.904 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 10 . 377 . 2 1 15 GLU H H -1.101 16.696 -4.087 . . . 1.0 . . . . . . . . . . . . B . 14 GLU H . . . . . . . . . rr_1pbz 1 . 10 . 378 . 2 1 15 GLU HA H -0.665 19.583 -5.035 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 10 . 379 . 2 1 15 GLU HB2 H -2.573 18.326 -5.980 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 10 . 380 . 2 1 15 GLU HB3 H -3.118 17.847 -4.394 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 10 . 381 . 2 1 15 GLU HG2 H -3.517 20.524 -4.027 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 10 . 382 . 2 1 15 GLU HG3 H -3.538 20.533 -5.781 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 10 . 383 . 2 1 15 GLU N N -0.599 17.555 -4.355 . . . 1.0 . . . . . . . . . . . . B . 14 GLU N . . . . . . . . . rr_1pbz 1 . 10 . 384 . 2 1 15 GLU O O -0.344 20.462 -2.664 . . . 1.0 . . . . . . . . . . . . B . 14 GLU O . . . . . . . . . rr_1pbz 1 . 10 . 385 . 2 1 15 GLU OE1 O -5.530 18.829 -3.825 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 10 . 386 . 2 1 15 GLU OE2 O -5.888 19.747 -5.781 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 10 . 387 . 2 1 16 ALA C C -1.198 19.055 0.505 . . . 1.0 . . . . . . . . . . . . B . 15 ALA C . . . . . . . . . rr_1pbz 1 . 10 . 388 . 2 1 16 ALA CA C -2.112 19.759 -0.574 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 10 . 389 . 2 1 16 ALA CB C -3.605 19.768 -0.189 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 10 . 390 . 2 1 16 ALA H H -2.786 18.558 -2.342 . . . 1.0 . . . . . . . . . . . . B . 15 ALA H . . . . . . . . . rr_1pbz 1 . 10 . 391 . 2 1 16 ALA HA H -1.775 20.815 -0.599 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 10 . 392 . 2 1 16 ALA HB1 H -3.763 20.230 0.802 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 10 . 393 . 2 1 16 ALA HB2 H -4.026 18.746 -0.151 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 10 . 394 . 2 1 16 ALA HB3 H -4.213 20.342 -0.916 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 10 . 395 . 2 1 16 ALA N N -2.071 19.203 -1.966 . . . 1.0 . . . . . . . . . . . . B . 15 ALA N . . . . . . . . . rr_1pbz 1 . 10 . 396 . 2 1 16 ALA O O -0.584 19.717 1.346 . . . 1.0 . . . . . . . . . . . . B . 15 ALA O . . . . . . . . . rr_1pbz 1 . 10 . 397 . 2 1 17 GLY C C 1.223 16.858 0.634 . . . 1.0 . . . . . . . . . . . . B . 16 GLY C . . . . . . . . . rr_1pbz 1 . 10 . 398 . 2 1 17 GLY CA C -0.195 16.884 1.263 . . . 1.0 . . . . . . . . . . . . B . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 10 . 399 . 2 1 17 GLY H H -1.506 17.384 -0.396 . . . 1.0 . . . . . . . . . . . . B . 16 GLY H . . . . . . . . . rr_1pbz 1 . 10 . 400 . 2 1 17 GLY HA2 H -0.131 17.134 2.317 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 10 . 401 . 2 1 17 GLY HA3 H -0.594 15.847 1.196 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 10 . 402 . 2 1 17 GLY N N -1.186 17.714 0.523 . . . 1.0 . . . . . . . . . . . . B . 16 GLY N . . . . . . . . . rr_1pbz 1 . 10 . 403 . 2 1 17 GLY O O 1.809 17.888 0.303 . . . 1.0 . . . . . . . . . . . . B . 16 GLY O . . . . . . . . . rr_1pbz 1 . 10 . 404 . 2 1 18 CYS C C 3.110 13.790 -0.605 . . . 1.0 . . . . . . . . . . . . B . 17 CYS C . . . . . . . . . rr_1pbz 1 . 10 . 405 . 2 1 18 CYS CA C 2.930 15.344 -0.387 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 10 . 406 . 2 1 18 CYS CB C 4.182 16.050 0.200 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 10 . 407 . 2 1 18 CYS H H 1.347 14.887 1.004 . . . 1.0 . . . . . . . . . . . . B . 17 CYS H . . . . . . . . . rr_1pbz 1 . 10 . 408 . 2 1 18 CYS HA H 2.670 15.762 -1.398 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 10 . 409 . 2 1 18 CYS HB2 H 5.091 15.731 -0.328 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 10 . 410 . 2 1 18 CYS HB3 H 4.090 17.132 0.007 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 10 . 411 . 2 1 18 CYS N N 1.742 15.634 0.440 . . . 1.0 . . . . . . . . . . . . B . 17 CYS N . . . . . . . . . rr_1pbz 1 . 10 . 412 . 2 1 18 CYS O O 2.310 12.947 -0.206 . . . 1.0 . . . . . . . . . . . . B . 17 CYS O . . . . . . . . . rr_1pbz 1 . 10 . 413 . 2 1 18 CYS SG S 4.472 15.873 1.986 . . . 1.0 . . . . . . . . . . . . B . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 10 . 414 . 2 1 19 NH2 HN1 H 4.226 12.304 -1.162 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 10 . 415 . 2 1 19 NH2 HN2 H 4.916 13.974 -1.395 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 10 . 416 . 2 1 19 NH2 N N 4.140 13.319 -1.278 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 10 . 417 . 3 2 1 PC3 C C -3.710 8.572 1.283 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C . . . . . . . . . rr_1pbz 1 . 10 . 418 . 3 2 1 PC3 C1 C -4.704 7.553 0.995 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C1 . . . . . . . . . rr_1pbz 1 . 10 . 419 . 3 2 1 PC3 C10 C 1.479 10.275 1.304 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C10 . . . . . . . . . rr_1pbz 1 . 10 . 420 . 3 2 1 PC3 C11 C 3.913 3.305 -1.937 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C11 . . . . . . . . . rr_1pbz 1 . 10 . 421 . 3 2 1 PC3 C12 C -6.016 2.434 -0.544 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C12 . . . . . . . . . rr_1pbz 1 . 10 . 422 . 3 2 1 PC3 C14 C -3.941 9.864 2.064 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C14 . . . . . . . . . rr_1pbz 1 . 10 . 423 . 3 2 1 PC3 C15 C -4.375 11.028 1.155 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C15 . . . . . . . . . rr_1pbz 1 . 10 . 424 . 3 2 1 PC3 C16 C 3.842 8.342 0.076 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C16 . . . . . . . . . rr_1pbz 1 . 10 . 425 . 3 2 1 PC3 C17 C 4.625 7.559 1.162 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C17 . . . . . . . . . rr_1pbz 1 . 10 . 426 . 3 2 1 PC3 C18 C 1.650 1.126 -2.973 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C18 . . . . . . . . . rr_1pbz 1 . 10 . 427 . 3 2 1 PC3 C19 C 1.518 1.446 -4.489 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C19 . . . . . . . . . rr_1pbz 1 . 10 . 428 . 3 2 1 PC3 C2 C -4.629 2.899 -1.060 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2 . . . . . . . . . rr_1pbz 1 . 10 . 429 . 3 2 1 PC3 C21 C -4.877 12.230 1.926 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C21 . . . . . . . . . rr_1pbz 1 . 10 . 430 . 3 2 1 PC3 C22 C -5.133 2.487 1.964 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C22 . . . . . . . . . rr_1pbz 1 . 10 . 431 . 3 2 1 PC3 C23 C 1.371 2.918 -4.877 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C23 . . . . . . . . . rr_1pbz 1 . 10 . 432 . 3 2 1 PC3 C24 C 5.866 8.222 1.760 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C24 . . . . . . . . . rr_1pbz 1 . 10 . 433 . 3 2 1 PC3 C2A C -3.980 6.510 0.335 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2A . . . . . . . . . rr_1pbz 1 . 10 . 434 . 3 2 1 PC3 C2C C -2.493 8.017 0.774 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2C . . . . . . . . . rr_1pbz 1 . 10 . 435 . 3 2 1 PC3 C3 C -3.612 2.057 -1.674 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C3 . . . . . . . . . rr_1pbz 1 . 10 . 436 . 3 2 1 PC3 C4 C 1.424 2.378 -2.136 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4 . . . . . . . . . rr_1pbz 1 . 10 . 437 . 3 2 1 PC3 C4A C -2.409 2.813 -1.558 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4A . . . . . . . . . rr_1pbz 1 . 10 . 438 . 3 2 1 PC3 C4C C -3.938 4.108 -0.734 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4C . . . . . . . . . rr_1pbz 1 . 10 . 439 . 3 2 1 PC3 C5 C 2.412 3.356 -1.757 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C5 . . . . . . . . . rr_1pbz 1 . 10 . 440 . 3 2 1 PC3 C6 C 2.331 8.059 0.079 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6 . . . . . . . . . rr_1pbz 1 . 10 . 441 . 3 2 1 PC3 C6A C 1.668 4.455 -1.282 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6A . . . . . . . . . rr_1pbz 1 . 10 . 442 . 3 2 1 PC3 C6C C 0.187 2.975 -1.786 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6C . . . . . . . . . rr_1pbz 1 . 10 . 443 . 3 2 1 PC3 C7 C 1.299 8.923 0.614 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C7 . . . . . . . . . rr_1pbz 1 . 10 . 444 . 3 2 1 PC3 C8 C -3.780 0.603 -2.137 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8 . . . . . . . . . rr_1pbz 1 . 10 . 445 . 3 2 1 PC3 C8A C 0.092 8.191 0.442 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8A . . . . . . . . . rr_1pbz 1 . 10 . 446 . 3 2 1 PC3 C8C C 1.632 6.880 -0.323 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8C . . . . . . . . . rr_1pbz 1 . 10 . 447 . 3 2 1 PC3 C9 C -6.185 7.626 1.362 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C9 . . . . . . . . . rr_1pbz 1 . 10 . 448 . 3 2 1 PC3 CA C -4.570 5.286 -0.166 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CA . . . . . . . . . rr_1pbz 1 . 10 . 449 . 3 2 1 PC3 CB C -1.096 2.341 -1.963 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CB . . . . . . . . . rr_1pbz 1 . 10 . 450 . 3 2 1 PC3 CC C 2.266 5.696 -0.863 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CC . . . . . . . . . rr_1pbz 1 . 10 . 451 . 3 2 1 PC3 CD C -1.211 8.675 0.841 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CD . . . . . . . . . rr_1pbz 1 . 10 . 452 . 3 2 1 PC3 CO3 Co -1.194 5.523 -0.609 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CO3 . . . . . . . . . rr_1pbz 1 . 10 . 453 . 3 2 1 PC3 CX5 C -6.315 2.566 0.990 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CX5 . . . . . . . . . rr_1pbz 1 . 10 . 454 . 3 2 1 PC3 H101 H 1.208 10.236 2.376 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H101 . . . . . . . . . rr_1pbz 1 . 10 . 455 . 3 2 1 PC3 H102 H 2.523 10.640 1.269 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H102 . . . . . . . . . rr_1pbz 1 . 10 . 456 . 3 2 1 PC3 H103 H 0.862 11.067 0.839 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H103 . . . . . . . . . rr_1pbz 1 . 10 . 457 . 3 2 1 PC3 H111 H 4.172 3.249 -3.012 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H111 . . . . . . . . . rr_1pbz 1 . 10 . 458 . 3 2 1 PC3 H112 H 4.355 2.415 -1.450 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H112 . . . . . . . . . rr_1pbz 1 . 10 . 459 . 3 2 1 PC3 H113 H 4.418 4.196 -1.522 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H113 . . . . . . . . . rr_1pbz 1 . 10 . 460 . 3 2 1 PC3 H121 H -6.144 1.367 -0.796 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H121 . . . . . . . . . rr_1pbz 1 . 10 . 461 . 3 2 1 PC3 H122 H -6.812 2.945 -1.118 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H122 . . . . . . . . . rr_1pbz 1 . 10 . 462 . 3 2 1 PC3 H141 H -3.055 10.158 2.657 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H141 . . . . . . . . . rr_1pbz 1 . 10 . 463 . 3 2 1 PC3 H142 H -4.727 9.687 2.827 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H142 . . . . . . . . . rr_1pbz 1 . 10 . 464 . 3 2 1 PC3 H151 H -5.214 10.724 0.504 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H151 . . . . . . . . . rr_1pbz 1 . 10 . 465 . 3 2 1 PC3 H152 H -3.562 11.346 0.481 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H152 . . . . . . . . . rr_1pbz 1 . 10 . 466 . 3 2 1 PC3 H161 H 4.019 9.426 0.216 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H161 . . . . . . . . . rr_1pbz 1 . 10 . 467 . 3 2 1 PC3 H162 H 4.291 8.142 -0.915 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H162 . . . . . . . . . rr_1pbz 1 . 10 . 468 . 3 2 1 PC3 H171 H 4.954 6.585 0.762 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H171 . . . . . . . . . rr_1pbz 1 . 10 . 469 . 3 2 1 PC3 H172 H 3.984 7.321 2.027 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H172 . . . . . . . . . rr_1pbz 1 . 10 . 470 . 3 2 1 PC3 H181 H 2.665 0.737 -2.768 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H181 . . . . . . . . . rr_1pbz 1 . 10 . 471 . 3 2 1 PC3 H182 H 0.957 0.318 -2.678 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H182 . . . . . . . . . rr_1pbz 1 . 10 . 472 . 3 2 1 PC3 H191 H 0.642 0.923 -4.910 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H191 . . . . . . . . . rr_1pbz 1 . 10 . 473 . 3 2 1 PC3 H192 H 2.380 1.039 -5.048 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H192 . . . . . . . . . rr_1pbz 1 . 10 . 474 . 3 2 1 PC3 H221 H -7.046 1.799 1.300 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H221 . . . . . . . . . rr_1pbz 1 . 10 . 475 . 3 2 1 PC3 H222 H -6.833 3.523 1.185 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H222 . . . . . . . . . rr_1pbz 1 . 10 . 476 . 3 2 1 PC3 H81 H -4.400 0.550 -3.050 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H81 . . . . . . . . . rr_1pbz 1 . 10 . 477 . 3 2 1 PC3 H82 H -2.829 0.091 -2.362 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H82 . . . . . . . . . rr_1pbz 1 . 10 . 478 . 3 2 1 PC3 H83 H -4.283 -0.003 -1.359 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H83 . . . . . . . . . rr_1pbz 1 . 10 . 479 . 3 2 1 PC3 H91 H -6.354 7.366 2.424 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H91 . . . . . . . . . rr_1pbz 1 . 10 . 480 . 3 2 1 PC3 H92 H -6.595 8.643 1.210 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H92 . . . . . . . . . rr_1pbz 1 . 10 . 481 . 3 2 1 PC3 H93 H -6.822 6.954 0.757 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H93 . . . . . . . . . rr_1pbz 1 . 10 . 482 . 3 2 1 PC3 HA H -5.638 5.196 -0.008 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HA . . . . . . . . . rr_1pbz 1 . 10 . 483 . 3 2 1 PC3 HB H -1.058 1.347 -2.395 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HB . . . . . . . . . rr_1pbz 1 . 10 . 484 . 3 2 1 PC3 HC H 3.347 5.741 -0.947 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HC . . . . . . . . . rr_1pbz 1 . 10 . 485 . 3 2 1 PC3 HD H -1.227 9.665 1.285 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HD . . . . . . . . . rr_1pbz 1 . 10 . 486 . 3 2 1 PC3 N2B N -2.630 6.760 0.208 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N2B . . . . . . . . . rr_1pbz 1 . 10 . 487 . 3 2 1 PC3 N4B N -2.585 4.067 -1.003 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N4B . . . . . . . . . rr_1pbz 1 . 10 . 488 . 3 2 1 PC3 N6B N 0.305 4.246 -1.256 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N6B . . . . . . . . . rr_1pbz 1 . 10 . 489 . 3 2 1 PC3 N8B N 0.261 6.950 -0.148 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N8B . . . . . . . . . rr_1pbz 1 . 10 . 490 . 3 2 1 PC3 O1 O -5.831 12.071 2.710 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O1 . . . . . . . . . rr_1pbz 1 . 10 . 491 . 3 2 1 PC3 O2 O -4.444 13.361 1.645 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O2 . . . . . . . . . rr_1pbz 1 . 10 . 492 . 3 2 1 PC3 O22 O -4.449 1.445 2.023 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O22 . . . . . . . . . rr_1pbz 1 . 10 . 493 . 3 2 1 PC3 O23 O 1.194 3.761 -3.952 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O23 . . . . . . . . . rr_1pbz 1 . 10 . 494 . 3 2 1 PC3 O3 O -4.719 3.559 2.459 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O3 . . . . . . . . . rr_1pbz 1 . 10 . 495 . 3 2 1 PC3 O4 O 1.266 3.240 -6.071 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O4 . . . . . . . . . rr_1pbz 1 . 10 . 496 . 3 2 1 PC3 O5 O 6.512 7.545 2.588 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O5 . . . . . . . . . rr_1pbz 1 . 10 . 497 . 3 2 1 PC3 O6 O 6.165 9.394 1.469 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O6 . . . . . . . . . rr_1pbz 1 . 11 . 498 . 1 1 2 CYS C C -3.206 -4.020 0.792 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . rr_1pbz 1 . 11 . 499 . 1 1 2 CYS CA C -2.662 -4.381 -0.650 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 11 . 500 . 1 1 2 CYS CB C -3.625 -3.801 -1.725 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 11 . 501 . 1 1 2 CYS H H -1.403 -2.694 -1.531 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H . . . . . . . . . rr_1pbz 1 . 11 . 502 . 1 1 2 CYS HA H -2.611 -5.511 -0.641 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 11 . 503 . 1 1 2 CYS HB2 H -3.316 -4.044 -2.761 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 11 . 504 . 1 1 2 CYS HB3 H -4.607 -4.294 -1.612 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 11 . 505 . 1 1 2 CYS N N -1.431 -3.652 -1.136 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . rr_1pbz 1 . 11 . 506 . 1 1 2 CYS O O -4.217 -4.607 1.195 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . rr_1pbz 1 . 11 . 507 . 1 1 2 CYS SG S -3.918 -2.020 -1.576 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 11 . 508 . 1 1 3 GLY C C -1.911 -2.463 3.964 . . . 1.0 . . . . . . . . . . . . A . 2 GLY C . . . . . . . . . rr_1pbz 1 . 11 . 509 . 1 1 3 GLY CA C -3.034 -2.748 2.940 . . . 1.0 . . . . . . . . . . . . A . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 11 . 510 . 1 1 3 GLY H H -1.848 -2.575 1.121 . . . 1.0 . . . . . . . . . . . . A . 2 GLY H . . . . . . . . . rr_1pbz 1 . 11 . 511 . 1 1 3 GLY HA2 H -3.637 -1.824 2.830 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 11 . 512 . 1 1 3 GLY HA3 H -3.729 -3.490 3.376 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 11 . 513 . 1 1 3 GLY N N -2.553 -3.149 1.591 . . . 1.0 . . . . . . . . . . . . A . 2 GLY N . . . . . . . . . rr_1pbz 1 . 11 . 514 . 1 1 3 GLY O O -1.831 -1.363 4.504 . . . 1.0 . . . . . . . . . . . . A . 2 GLY O . . . . . . . . . rr_1pbz 1 . 11 . 515 . 1 1 4 ALA C C 1.380 -2.751 4.830 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . rr_1pbz 1 . 11 . 516 . 1 1 4 ALA CA C 0.008 -3.328 5.306 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 11 . 517 . 1 1 4 ALA CB C 0.127 -4.723 5.907 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 11 . 518 . 1 1 4 ALA H H -1.139 -4.291 3.689 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . rr_1pbz 1 . 11 . 519 . 1 1 4 ALA HA H -0.340 -2.643 6.110 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 11 . 520 . 1 1 4 ALA HB1 H -0.844 -5.057 6.315 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 11 . 521 . 1 1 4 ALA HB2 H 0.462 -5.451 5.144 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 11 . 522 . 1 1 4 ALA HB3 H 0.862 -4.713 6.727 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 11 . 523 . 1 1 4 ALA N N -1.064 -3.458 4.279 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . rr_1pbz 1 . 11 . 524 . 1 1 4 ALA O O 1.973 -1.948 5.554 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . rr_1pbz 1 . 11 . 525 . 1 1 5 GLU C C 2.703 -0.918 2.679 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . rr_1pbz 1 . 11 . 526 . 1 1 5 GLU CA C 3.061 -2.419 3.022 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 11 . 527 . 1 1 5 GLU CB C 3.462 -3.193 1.769 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 11 . 528 . 1 1 5 GLU CD C 4.684 -5.179 0.709 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 11 . 529 . 1 1 5 GLU CG C 4.224 -4.526 1.992 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 11 . 530 . 1 1 5 GLU H H 1.559 -4.007 3.238 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . rr_1pbz 1 . 11 . 531 . 1 1 5 GLU HA H 3.945 -2.431 3.671 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 11 . 532 . 1 1 5 GLU HB2 H 2.551 -3.350 1.167 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 11 . 533 . 1 1 5 GLU HB3 H 4.118 -2.512 1.202 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 11 . 534 . 1 1 5 GLU HG2 H 5.129 -4.372 2.604 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 11 . 535 . 1 1 5 GLU HG3 H 3.608 -5.264 2.529 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 11 . 536 . 1 1 5 GLU N N 1.926 -3.149 3.668 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . rr_1pbz 1 . 11 . 537 . 1 1 5 GLU O O 3.469 0.005 2.960 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . rr_1pbz 1 . 11 . 538 . 1 1 5 GLU OE1 O 5.752 -4.795 0.191 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 11 . 539 . 1 1 5 GLU OE2 O 3.986 -6.090 0.222 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 11 . 540 . 1 1 6 ALA C C 0.761 1.410 3.355 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . rr_1pbz 1 . 11 . 541 . 1 1 6 ALA CA C 0.866 0.646 1.997 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 11 . 542 . 1 1 6 ALA CB C -0.543 0.369 1.481 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 11 . 543 . 1 1 6 ALA H H 0.985 -1.598 2.075 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . rr_1pbz 1 . 11 . 544 . 1 1 6 ALA HA H 1.385 1.319 1.259 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 11 . 545 . 1 1 6 ALA HB1 H -0.559 -0.176 0.525 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 11 . 546 . 1 1 6 ALA HB2 H -1.126 1.295 1.354 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 11 . 547 . 1 1 6 ALA HB3 H -1.136 -0.234 2.199 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 11 . 548 . 1 1 6 ALA N N 1.497 -0.701 2.114 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . rr_1pbz 1 . 11 . 549 . 1 1 6 ALA O O 1.157 2.569 3.396 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . rr_1pbz 1 . 11 . 550 . 1 1 7 ALA C C 1.803 1.678 6.331 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_1pbz 1 . 11 . 551 . 1 1 7 ALA CA C 0.351 1.396 5.810 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 11 . 552 . 1 1 7 ALA CB C -0.260 0.351 6.720 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 11 . 553 . 1 1 7 ALA H H -0.112 -0.156 4.313 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_1pbz 1 . 11 . 554 . 1 1 7 ALA HA H -0.283 2.325 5.874 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 11 . 555 . 1 1 7 ALA HB1 H 0.340 -0.577 6.687 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 11 . 556 . 1 1 7 ALA HB2 H -0.246 0.711 7.759 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 11 . 557 . 1 1 7 ALA HB3 H -1.291 0.118 6.418 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 11 . 558 . 1 1 7 ALA N N 0.254 0.807 4.450 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_1pbz 1 . 11 . 559 . 1 1 7 ALA O O 2.006 2.741 6.923 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_1pbz 1 . 11 . 560 . 1 1 8 LYS C C 4.790 2.271 5.502 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1pbz 1 . 11 . 561 . 1 1 8 LYS CA C 4.228 1.095 6.387 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 11 . 562 . 1 1 8 LYS CB C 5.090 -0.202 6.404 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 11 . 563 . 1 1 8 LYS CD C 6.842 0.525 8.221 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 11 . 564 . 1 1 8 LYS CE C 6.755 1.007 9.693 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 11 . 565 . 1 1 8 LYS CG C 5.760 -0.504 7.782 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 11 . 566 . 1 1 8 LYS H H 2.518 -0.136 5.682 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1pbz 1 . 11 . 567 . 1 1 8 LYS HA H 4.265 1.496 7.416 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 11 . 568 . 1 1 8 LYS HB2 H 4.470 -1.075 6.112 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 11 . 569 . 1 1 8 LYS HB3 H 5.848 -0.151 5.599 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 11 . 570 . 1 1 8 LYS HD2 H 7.846 0.101 8.017 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 11 . 571 . 1 1 8 LYS HD3 H 6.799 1.403 7.543 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 11 . 572 . 1 1 8 LYS HE2 H 5.710 1.301 9.944 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 11 . 573 . 1 1 8 LYS HE3 H 7.022 0.200 10.412 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 11 . 574 . 1 1 8 LYS HG2 H 4.960 -0.593 8.545 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 11 . 575 . 1 1 8 LYS HG3 H 6.212 -1.516 7.753 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 11 . 576 . 1 1 8 LYS HZ1 H 7.546 2.941 9.103 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 11 . 577 . 1 1 8 LYS HZ2 H 7.602 2.817 10.653 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 11 . 578 . 1 1 8 LYS HZ3 H 8.678 2.025 9.752 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 11 . 579 . 1 1 8 LYS N N 2.795 0.767 6.129 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1pbz 1 . 11 . 580 . 1 1 8 LYS NZ N 7.668 2.198 9.814 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 11 . 581 . 1 1 8 LYS O O 5.626 3.024 5.987 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1pbz 1 . 11 . 582 . 1 1 9 ALA C C 3.842 4.978 4.005 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_1pbz 1 . 11 . 583 . 1 1 9 ALA CA C 4.555 3.684 3.441 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 11 . 584 . 1 1 9 ALA CB C 4.013 3.398 2.050 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 11 . 585 . 1 1 9 ALA H H 3.926 1.599 3.855 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_1pbz 1 . 11 . 586 . 1 1 9 ALA HA H 5.634 3.848 3.262 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 11 . 587 . 1 1 9 ALA HB1 H 4.244 4.250 1.391 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 11 . 588 . 1 1 9 ALA HB2 H 2.921 3.281 2.070 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 11 . 589 . 1 1 9 ALA HB3 H 4.460 2.479 1.639 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 11 . 590 . 1 1 9 ALA N N 4.333 2.455 4.251 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_1pbz 1 . 11 . 591 . 1 1 9 ALA O O 4.455 6.047 4.062 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_1pbz 1 . 11 . 592 . 1 1 10 HIS C C 2.526 6.371 6.485 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_1pbz 1 . 11 . 593 . 1 1 10 HIS CA C 1.800 5.941 5.147 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 11 . 594 . 1 1 10 HIS CB C 0.332 5.414 5.204 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 11 . 595 . 1 1 10 HIS CD2 C -0.267 5.655 2.641 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 11 . 596 . 1 1 10 HIS CE1 C -1.702 4.022 2.450 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 11 . 597 . 1 1 10 HIS CG C -0.462 5.111 3.901 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 11 . 598 . 1 1 10 HIS H H 2.122 3.928 4.265 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_1pbz 1 . 11 . 599 . 1 1 10 HIS HA H 1.801 6.899 4.597 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 11 . 600 . 1 1 10 HIS HB2 H 0.355 4.488 5.808 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 11 . 601 . 1 1 10 HIS HB3 H -0.258 6.132 5.790 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 11 . 602 . 1 1 10 HIS HD1 H -1.591 3.326 4.530 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 11 . 603 . 1 1 10 HIS HD2 H 0.412 6.448 2.365 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 11 . 604 . 1 1 10 HIS HE1 H -2.374 3.282 2.032 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 11 . 605 . 1 1 10 HIS N N 2.545 4.877 4.391 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_1pbz 1 . 11 . 606 . 1 1 10 HIS ND1 N -1.351 4.026 3.817 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 11 . 607 . 1 1 10 HIS NE2 N -1.081 5.016 1.782 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 11 . 608 . 1 1 10 HIS O O 2.895 7.547 6.618 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_1pbz 1 . 11 . 609 . 1 1 11 ALA C C 5.180 6.219 8.032 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_1pbz 1 . 11 . 610 . 1 1 11 ALA CA C 3.796 5.669 8.505 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 11 . 611 . 1 1 11 ALA CB C 3.911 4.334 9.259 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 11 . 612 . 1 1 11 ALA H H 2.074 4.791 7.684 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_1pbz 1 . 11 . 613 . 1 1 11 ALA HA H 3.372 6.422 9.190 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 11 . 614 . 1 1 11 ALA HB1 H 4.597 4.432 10.120 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 11 . 615 . 1 1 11 ALA HB2 H 2.934 3.992 9.648 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 11 . 616 . 1 1 11 ALA HB3 H 4.310 3.536 8.605 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 11 . 617 . 1 1 11 ALA N N 2.835 5.427 7.407 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_1pbz 1 . 11 . 618 . 1 1 11 ALA O O 5.497 7.314 8.459 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_1pbz 1 . 11 . 619 . 1 1 12 LYS C C 7.149 7.705 6.148 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_1pbz 1 . 11 . 620 . 1 1 12 LYS CA C 7.172 6.169 6.464 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 11 . 621 . 1 1 12 LYS CB C 7.580 5.358 5.195 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 11 . 622 . 1 1 12 LYS CD C 8.967 5.825 2.975 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 11 . 623 . 1 1 12 LYS CE C 8.059 6.864 2.258 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 11 . 624 . 1 1 12 LYS CG C 8.947 5.707 4.529 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 11 . 625 . 1 1 12 LYS H H 5.328 4.855 6.654 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_1pbz 1 . 11 . 626 . 1 1 12 LYS HA H 7.982 6.031 7.206 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 11 . 627 . 1 1 12 LYS HB2 H 7.601 4.287 5.468 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 11 . 628 . 1 1 12 LYS HB3 H 6.761 5.439 4.463 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 11 . 629 . 1 1 12 LYS HD2 H 10.017 6.000 2.667 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 11 . 630 . 1 1 12 LYS HD3 H 8.738 4.824 2.557 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 11 . 631 . 1 1 12 LYS HE2 H 8.284 6.889 1.166 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 11 . 632 . 1 1 12 LYS HE3 H 6.998 6.513 2.306 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 11 . 633 . 1 1 12 LYS HG2 H 9.382 6.621 4.978 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 11 . 634 . 1 1 12 LYS HG3 H 9.676 4.930 4.839 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 11 . 635 . 1 1 12 LYS HZ1 H 9.129 8.596 2.888 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 11 . 636 . 1 1 12 LYS HZ2 H 7.556 8.925 2.468 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 11 . 637 . 1 1 12 LYS HZ3 H 7.901 8.185 3.881 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 11 . 638 . 1 1 12 LYS N N 5.913 5.589 7.084 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_1pbz 1 . 11 . 639 . 1 1 12 LYS NZ N 8.175 8.215 2.883 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 11 . 640 . 1 1 12 LYS O O 8.139 8.411 6.360 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_1pbz 1 . 11 . 641 . 1 1 13 ALA C C 5.556 10.313 6.847 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . rr_1pbz 1 . 11 . 642 . 1 1 13 ALA CA C 5.760 9.634 5.445 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 11 . 643 . 1 1 13 ALA CB C 4.596 9.750 4.456 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 11 . 644 . 1 1 13 ALA H H 5.325 7.469 5.426 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . rr_1pbz 1 . 11 . 645 . 1 1 13 ALA HA H 6.630 10.116 4.980 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 11 . 646 . 1 1 13 ALA HB1 H 4.326 10.802 4.252 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 11 . 647 . 1 1 13 ALA HB2 H 3.671 9.271 4.835 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 11 . 648 . 1 1 13 ALA HB3 H 4.828 9.267 3.492 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 11 . 649 . 1 1 13 ALA N N 6.052 8.188 5.551 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . rr_1pbz 1 . 11 . 650 . 1 1 13 ALA O O 6.468 10.947 7.340 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . rr_1pbz 1 . 11 . 651 . 1 1 14 ALA C C 5.426 10.339 10.105 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_1pbz 1 . 11 . 652 . 1 1 14 ALA CA C 4.283 10.559 8.999 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 11 . 653 . 1 1 14 ALA CB C 2.977 9.831 9.363 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 11 . 654 . 1 1 14 ALA H H 3.854 9.526 7.006 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_1pbz 1 . 11 . 655 . 1 1 14 ALA HA H 4.079 11.644 9.023 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 11 . 656 . 1 1 14 ALA HB1 H 2.146 10.087 8.676 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 11 . 657 . 1 1 14 ALA HB2 H 3.108 8.733 9.319 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 11 . 658 . 1 1 14 ALA HB3 H 2.648 10.085 10.384 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 11 . 659 . 1 1 14 ALA N N 4.454 10.143 7.550 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_1pbz 1 . 11 . 660 . 1 1 14 ALA O O 5.368 10.872 11.215 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_1pbz 1 . 11 . 661 . 1 1 15 GLU C C 8.905 10.064 9.915 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . rr_1pbz 1 . 11 . 662 . 1 1 15 GLU CA C 7.696 9.205 10.461 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 11 . 663 . 1 1 15 GLU CB C 7.769 7.654 10.228 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 11 . 664 . 1 1 15 GLU CD C 8.661 5.271 10.324 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 11 . 665 . 1 1 15 GLU CG C 8.917 6.735 10.712 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 11 . 666 . 1 1 15 GLU H H 6.274 9.329 8.745 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . rr_1pbz 1 . 11 . 667 . 1 1 15 GLU HA H 7.589 9.404 11.544 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 11 . 668 . 1 1 15 GLU HB2 H 6.832 7.215 10.632 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 11 . 669 . 1 1 15 GLU HB3 H 7.736 7.481 9.137 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 11 . 670 . 1 1 15 GLU HG2 H 9.888 7.043 10.289 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 11 . 671 . 1 1 15 GLU HG3 H 9.023 6.788 11.810 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 11 . 672 . 1 1 15 GLU N N 6.436 9.553 9.736 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . rr_1pbz 1 . 11 . 673 . 1 1 15 GLU O O 9.386 10.958 10.615 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . rr_1pbz 1 . 11 . 674 . 1 1 15 GLU OE1 O 8.947 4.849 9.182 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 11 . 675 . 1 1 15 GLU OE2 O 8.130 4.513 11.164 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 11 . 676 . 1 1 16 ALA C C 9.890 11.835 7.014 . . . 1.0 . . . . . . . . . . . . A . 15 ALA C . . . . . . . . . rr_1pbz 1 . 11 . 677 . 1 1 16 ALA CA C 10.405 10.699 7.989 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 11 . 678 . 1 1 16 ALA CB C 11.347 9.710 7.277 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 11 . 679 . 1 1 16 ALA H H 9.014 8.961 8.263 . . . 1.0 . . . . . . . . . . . . A . 15 ALA H . . . . . . . . . rr_1pbz 1 . 11 . 680 . 1 1 16 ALA HA H 11.007 11.228 8.757 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 11 . 681 . 1 1 16 ALA HB1 H 11.787 8.985 7.989 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 11 . 682 . 1 1 16 ALA HB2 H 10.825 9.131 6.494 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 11 . 683 . 1 1 16 ALA HB3 H 12.190 10.239 6.797 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 11 . 684 . 1 1 16 ALA N N 9.379 9.835 8.668 . . . 1.0 . . . . . . . . . . . . A . 15 ALA N . . . . . . . . . rr_1pbz 1 . 11 . 685 . 1 1 16 ALA O O 10.509 12.894 6.897 . . . 1.0 . . . . . . . . . . . . A . 15 ALA O . . . . . . . . . rr_1pbz 1 . 11 . 686 . 1 1 17 GLY C C 7.131 13.523 6.317 . . . 1.0 . . . . . . . . . . . . A . 16 GLY C . . . . . . . . . rr_1pbz 1 . 11 . 687 . 1 1 17 GLY CA C 8.056 12.602 5.476 . . . 1.0 . . . . . . . . . . . . A . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 11 . 688 . 1 1 17 GLY H H 8.287 10.831 6.711 . . . 1.0 . . . . . . . . . . . . A . 16 GLY H . . . . . . . . . rr_1pbz 1 . 11 . 689 . 1 1 17 GLY HA2 H 8.690 13.201 4.833 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 11 . 690 . 1 1 17 GLY HA3 H 7.393 12.018 4.804 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 11 . 691 . 1 1 17 GLY N N 8.821 11.577 6.246 . . . 1.0 . . . . . . . . . . . . A . 16 GLY N . . . . . . . . . rr_1pbz 1 . 11 . 692 . 1 1 17 GLY O O 7.571 14.221 7.229 . . . 1.0 . . . . . . . . . . . . A . 16 GLY O . . . . . . . . . rr_1pbz 1 . 11 . 693 . 1 1 18 CYS C C 4.872 15.553 7.311 . . . 1.0 . . . . . . . . . . . . A . 17 CYS C . . . . . . . . . rr_1pbz 1 . 11 . 694 . 1 1 18 CYS CA C 4.756 14.089 6.817 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 11 . 695 . 1 1 18 CYS CB C 3.659 14.152 5.706 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 11 . 696 . 1 1 18 CYS H H 5.632 12.895 5.181 . . . 1.0 . . . . . . . . . . . . A . 17 CYS H . . . . . . . . . rr_1pbz 1 . 11 . 697 . 1 1 18 CYS HA H 4.619 13.387 7.681 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 11 . 698 . 1 1 18 CYS HB2 H 3.364 13.147 5.340 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 11 . 699 . 1 1 18 CYS HB3 H 2.709 14.546 6.127 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 11 . 700 . 1 1 18 CYS N N 5.834 13.520 5.965 . . . 1.0 . . . . . . . . . . . . A . 17 CYS N . . . . . . . . . rr_1pbz 1 . 11 . 701 . 1 1 18 CYS O O 4.009 16.117 7.991 . . . 1.0 . . . . . . . . . . . . A . 17 CYS O . . . . . . . . . rr_1pbz 1 . 11 . 702 . 1 1 18 CYS SG S 4.122 15.210 4.296 . . . 1.0 . . . . . . . . . . . . A . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 11 . 703 . 1 1 19 NH2 HN1 H 6.685 15.620 6.393 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 11 . 704 . 1 1 19 NH2 HN2 H 6.194 17.097 7.252 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 11 . 705 . 1 1 19 NH2 N N 6.000 16.133 6.960 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 11 . 706 . 2 1 2 CYS C C -5.749 0.771 -5.923 . . . 1.0 . . . . . . . . . . . . B . 1 CYS C . . . . . . . . . rr_1pbz 1 . 11 . 707 . 2 1 2 CYS CA C -6.062 0.260 -4.463 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 11 . 708 . 2 1 2 CYS CB C -5.480 -1.146 -4.173 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 11 . 709 . 2 1 2 CYS H H -8.114 -0.648 -4.139 . . . 1.0 . . . . . . . . . . . . B . 1 CYS H . . . . . . . . . rr_1pbz 1 . 11 . 710 . 2 1 2 CYS HA H -5.480 0.964 -3.803 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 11 . 711 . 2 1 2 CYS HB2 H -5.949 -1.931 -4.795 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 11 . 712 . 2 1 2 CYS HB3 H -4.399 -1.180 -4.407 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 11 . 713 . 2 1 2 CYS N N -7.508 0.185 -4.056 . . . 1.0 . . . . . . . . . . . . B . 1 CYS N . . . . . . . . . rr_1pbz 1 . 11 . 714 . 2 1 2 CYS O O -4.570 1.020 -6.192 . . . 1.0 . . . . . . . . . . . . B . 1 CYS O . . . . . . . . . rr_1pbz 1 . 11 . 715 . 2 1 2 CYS SG S -5.683 -1.577 -2.424 . . . 1.0 . . . . . . . . . . . . B . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 11 . 716 . 2 1 3 GLY C C -6.838 3.016 -8.372 . . . 1.0 . . . . . . . . . . . . B . 2 GLY C . . . . . . . . . rr_1pbz 1 . 11 . 717 . 2 1 3 GLY CA C -6.452 1.527 -8.204 . . . 1.0 . . . . . . . . . . . . B . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 11 . 718 . 2 1 3 GLY H H -7.686 0.873 -6.492 . . . 1.0 . . . . . . . . . . . . B . 2 GLY H . . . . . . . . . rr_1pbz 1 . 11 . 719 . 2 1 3 GLY HA2 H -5.378 1.428 -8.469 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 11 . 720 . 2 1 3 GLY HA3 H -6.958 0.916 -8.972 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 11 . 721 . 2 1 3 GLY N N -6.725 0.961 -6.850 . . . 1.0 . . . . . . . . . . . . B . 2 GLY N . . . . . . . . . rr_1pbz 1 . 11 . 722 . 2 1 3 GLY O O -5.962 3.874 -8.267 . . . 1.0 . . . . . . . . . . . . B . 2 GLY O . . . . . . . . . rr_1pbz 1 . 11 . 723 . 2 1 4 ALA C C -8.735 5.561 -7.398 . . . 1.0 . . . . . . . . . . . . B . 3 ALA C . . . . . . . . . rr_1pbz 1 . 11 . 724 . 2 1 4 ALA CA C -8.553 4.777 -8.741 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 11 . 725 . 2 1 4 ALA CB C -9.847 4.747 -9.554 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 11 . 726 . 2 1 4 ALA H H -8.826 2.619 -8.630 . . . 1.0 . . . . . . . . . . . . B . 3 ALA H . . . . . . . . . rr_1pbz 1 . 11 . 727 . 2 1 4 ALA HA H -7.800 5.345 -9.331 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 11 . 728 . 2 1 4 ALA HB1 H -10.203 5.775 -9.739 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 11 . 729 . 2 1 4 ALA HB2 H -9.699 4.262 -10.535 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 11 . 730 . 2 1 4 ALA HB3 H -10.645 4.209 -9.007 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 11 . 731 . 2 1 4 ALA N N -8.113 3.355 -8.640 . . . 1.0 . . . . . . . . . . . . B . 3 ALA N . . . . . . . . . rr_1pbz 1 . 11 . 732 . 2 1 4 ALA O O -8.389 6.743 -7.342 . . . 1.0 . . . . . . . . . . . . B . 3 ALA O . . . . . . . . . rr_1pbz 1 . 11 . 733 . 2 1 5 GLU C C -7.792 5.849 -4.418 . . . 1.0 . . . . . . . . . . . . B . 4 GLU C . . . . . . . . . rr_1pbz 1 . 11 . 734 . 2 1 5 GLU CA C -9.230 5.506 -4.942 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 11 . 735 . 2 1 5 GLU CB C -10.088 4.562 -4.049 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 11 . 736 . 2 1 5 GLU CD C -12.351 4.882 -5.426 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 11 . 737 . 2 1 5 GLU CG C -11.642 4.723 -4.085 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 11 . 738 . 2 1 5 GLU H H -9.902 4.172 -6.541 . . . 1.0 . . . . . . . . . . . . B . 4 GLU H . . . . . . . . . rr_1pbz 1 . 11 . 739 . 2 1 5 GLU HA H -9.713 6.486 -4.990 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 11 . 740 . 2 1 5 GLU HB2 H -9.833 3.509 -4.281 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 11 . 741 . 2 1 5 GLU HB3 H -9.767 4.680 -2.996 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 11 . 742 . 2 1 5 GLU HG2 H -12.113 3.845 -3.609 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 11 . 743 . 2 1 5 GLU HG3 H -11.939 5.577 -3.456 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 11 . 744 . 2 1 5 GLU N N -9.244 4.931 -6.323 . . . 1.0 . . . . . . . . . . . . B . 4 GLU N . . . . . . . . . rr_1pbz 1 . 11 . 745 . 2 1 5 GLU O O -7.553 6.950 -3.909 . . . 1.0 . . . . . . . . . . . . B . 4 GLU O . . . . . . . . . rr_1pbz 1 . 11 . 746 . 2 1 5 GLU OE1 O -12.170 4.044 -6.327 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 11 . 747 . 2 1 5 GLU OE2 O -13.079 5.887 -5.573 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 11 . 748 . 2 1 6 ALA C C -4.947 6.434 -5.432 . . . 1.0 . . . . . . . . . . . . B . 5 ALA C . . . . . . . . . rr_1pbz 1 . 11 . 749 . 2 1 6 ALA CA C -5.376 5.280 -4.492 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 11 . 750 . 2 1 6 ALA CB C -4.544 4.071 -4.930 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 11 . 751 . 2 1 6 ALA H H -7.202 4.141 -5.163 . . . 1.0 . . . . . . . . . . . . B . 5 ALA H . . . . . . . . . rr_1pbz 1 . 11 . 752 . 2 1 6 ALA HA H -5.099 5.587 -3.447 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 11 . 753 . 2 1 6 ALA HB1 H -4.808 3.772 -5.965 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 11 . 754 . 2 1 6 ALA HB2 H -4.682 3.210 -4.271 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 11 . 755 . 2 1 6 ALA HB3 H -3.470 4.328 -4.990 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 11 . 756 . 2 1 6 ALA N N -6.820 4.945 -4.637 . . . 1.0 . . . . . . . . . . . . B . 5 ALA N . . . . . . . . . rr_1pbz 1 . 11 . 757 . 2 1 6 ALA O O -4.321 7.360 -4.933 . . . 1.0 . . . . . . . . . . . . B . 5 ALA O . . . . . . . . . rr_1pbz 1 . 11 . 758 . 2 1 7 ALA C C -5.228 8.908 -7.313 . . . 1.0 . . . . . . . . . . . . B . 6 ALA C . . . . . . . . . rr_1pbz 1 . 11 . 759 . 2 1 7 ALA CA C -4.767 7.435 -7.678 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 11 . 760 . 2 1 7 ALA CB C -5.312 7.044 -9.040 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 11 . 761 . 2 1 7 ALA H H -5.826 5.612 -7.088 . . . 1.0 . . . . . . . . . . . . B . 6 ALA H . . . . . . . . . rr_1pbz 1 . 11 . 762 . 2 1 7 ALA HA H -3.666 7.265 -7.688 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 11 . 763 . 2 1 7 ALA HB1 H -6.416 7.096 -9.034 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 11 . 764 . 2 1 7 ALA HB2 H -5.000 6.024 -9.313 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 11 . 765 . 2 1 7 ALA HB3 H -4.943 7.755 -9.795 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 11 . 766 . 2 1 7 ALA N N -5.234 6.393 -6.750 . . . 1.0 . . . . . . . . . . . . B . 6 ALA N . . . . . . . . . rr_1pbz 1 . 11 . 767 . 2 1 7 ALA O O -4.409 9.821 -7.215 . . . 1.0 . . . . . . . . . . . . B . 6 ALA O . . . . . . . . . rr_1pbz 1 . 11 . 768 . 2 1 8 LYS C C -6.575 10.761 -5.130 . . . 1.0 . . . . . . . . . . . . B . 7 LYS C . . . . . . . . . rr_1pbz 1 . 11 . 769 . 2 1 8 LYS CA C -7.206 10.272 -6.479 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 11 . 770 . 2 1 8 LYS CB C -8.689 9.801 -6.347 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 11 . 771 . 2 1 8 LYS CD C -11.176 10.299 -5.721 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 11 . 772 . 2 1 8 LYS CE C -11.399 8.832 -5.293 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 11 . 773 . 2 1 8 LYS CG C -9.699 10.761 -5.665 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 11 . 774 . 2 1 8 LYS H H -7.065 8.186 -7.198 . . . 1.0 . . . . . . . . . . . . B . 7 LYS H . . . . . . . . . rr_1pbz 1 . 11 . 775 . 2 1 8 LYS HA H -7.137 11.124 -7.189 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 11 . 776 . 2 1 8 LYS HB2 H -9.076 9.514 -7.346 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 11 . 777 . 2 1 8 LYS HB3 H -8.698 8.852 -5.765 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 11 . 778 . 2 1 8 LYS HD2 H -11.769 10.985 -5.080 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 11 . 779 . 2 1 8 LYS HD3 H -11.557 10.454 -6.750 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 11 . 780 . 2 1 8 LYS HE2 H -10.900 8.153 -6.023 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 11 . 781 . 2 1 8 LYS HE3 H -10.888 8.619 -4.323 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 11 . 782 . 2 1 8 LYS HG2 H -9.396 10.907 -4.606 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 11 . 783 . 2 1 8 LYS HG3 H -9.605 11.771 -6.113 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 11 . 784 . 2 1 8 LYS HZ1 H -12.976 7.446 -5.313 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 11 . 785 . 2 1 8 LYS HZ2 H -13.396 8.851 -6.018 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 11 . 786 . 2 1 8 LYS HZ3 H -13.310 8.752 -4.360 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 11 . 787 . 2 1 8 LYS N N -6.549 9.070 -7.079 . . . 1.0 . . . . . . . . . . . . B . 7 LYS N . . . . . . . . . rr_1pbz 1 . 11 . 788 . 2 1 8 LYS NZ N -12.841 8.492 -5.234 . . . 1.0 . . . . . . . . . . . . B . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 11 . 789 . 2 1 8 LYS O O -6.209 11.933 -5.009 . . . 1.0 . . . . . . . . . . . . B . 7 LYS O . . . . . . . . . rr_1pbz 1 . 11 . 790 . 2 1 9 ALA C C -4.104 10.592 -3.148 . . . 1.0 . . . . . . . . . . . . B . 8 ALA C . . . . . . . . . rr_1pbz 1 . 11 . 791 . 2 1 9 ALA CA C -5.601 10.171 -2.925 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 11 . 792 . 2 1 9 ALA CB C -5.530 8.866 -2.158 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 11 . 793 . 2 1 9 ALA H H -6.805 8.930 -4.302 . . . 1.0 . . . . . . . . . . . . B . 8 ALA H . . . . . . . . . rr_1pbz 1 . 11 . 794 . 2 1 9 ALA HA H -6.141 10.891 -2.275 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 11 . 795 . 2 1 9 ALA HB1 H -4.945 8.105 -2.704 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 11 . 796 . 2 1 9 ALA HB2 H -6.533 8.484 -1.935 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 11 . 797 . 2 1 9 ALA HB3 H -5.013 9.091 -1.217 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 11 . 798 . 2 1 9 ALA N N -6.413 9.870 -4.132 . . . 1.0 . . . . . . . . . . . . B . 8 ALA N . . . . . . . . . rr_1pbz 1 . 11 . 799 . 2 1 9 ALA O O -3.531 11.351 -2.364 . . . 1.0 . . . . . . . . . . . . B . 8 ALA O . . . . . . . . . rr_1pbz 1 . 11 . 800 . 2 1 10 HIS C C -1.881 11.651 -5.181 . . . 1.0 . . . . . . . . . . . . B . 9 HIS C . . . . . . . . . rr_1pbz 1 . 11 . 801 . 2 1 10 HIS CA C -2.032 10.229 -4.518 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 11 . 802 . 2 1 10 HIS CB C -1.591 8.908 -5.205 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 11 . 803 . 2 1 10 HIS CD2 C -1.667 7.589 -2.901 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 11 . 804 . 2 1 10 HIS CE1 C -1.364 5.558 -3.649 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 11 . 805 . 2 1 10 HIS CG C -1.493 7.647 -4.287 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 11 . 806 . 2 1 10 HIS H H -4.068 9.431 -4.797 . . . 1.0 . . . . . . . . . . . . B . 9 HIS H . . . . . . . . . rr_1pbz 1 . 11 . 807 . 2 1 10 HIS HA H -1.394 10.277 -3.619 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 11 . 808 . 2 1 10 HIS HB2 H -2.284 8.694 -6.042 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 11 . 809 . 2 1 10 HIS HB3 H -0.616 9.081 -5.683 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 11 . 810 . 2 1 10 HIS HD1 H -1.104 6.101 -5.776 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 11 . 811 . 2 1 10 HIS HD2 H -1.909 8.427 -2.251 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 11 . 812 . 2 1 10 HIS HE1 H -1.279 4.475 -3.730 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 11 . 813 . 2 1 10 HIS N N -3.452 9.972 -4.150 . . . 1.0 . . . . . . . . . . . . B . 9 HIS N . . . . . . . . . rr_1pbz 1 . 11 . 814 . 2 1 10 HIS ND1 N -1.367 6.357 -4.816 . . . 1.0 . . . . . . . . . . . . B . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 11 . 815 . 2 1 10 HIS NE2 N -1.485 6.308 -2.521 . . . 1.0 . . . . . . . . . . . . B . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 11 . 816 . 2 1 10 HIS O O -1.045 12.446 -4.737 . . . 1.0 . . . . . . . . . . . . B . 9 HIS O . . . . . . . . . rr_1pbz 1 . 11 . 817 . 2 1 11 ALA C C -3.277 14.425 -5.442 . . . 1.0 . . . . . . . . . . . . B . 10 ALA C . . . . . . . . . rr_1pbz 1 . 11 . 818 . 2 1 11 ALA CA C -2.961 13.404 -6.591 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 11 . 819 . 2 1 11 ALA CB C -4.131 13.300 -7.593 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 11 . 820 . 2 1 11 ALA H H -3.142 11.256 -6.717 . . . 1.0 . . . . . . . . . . . . B . 10 ALA H . . . . . . . . . rr_1pbz 1 . 11 . 821 . 2 1 11 ALA HA H -2.049 13.764 -7.098 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 11 . 822 . 2 1 11 ALA HB1 H -5.057 12.929 -7.109 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 11 . 823 . 2 1 11 ALA HB2 H -4.379 14.289 -8.018 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 11 . 824 . 2 1 11 ALA HB3 H -3.913 12.622 -8.437 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 11 . 825 . 2 1 11 ALA N N -2.759 12.009 -6.138 . . . 1.0 . . . . . . . . . . . . B . 10 ALA N . . . . . . . . . rr_1pbz 1 . 11 . 826 . 2 1 11 ALA O O -2.597 15.442 -5.370 . . . 1.0 . . . . . . . . . . . . B . 10 ALA O . . . . . . . . . rr_1pbz 1 . 11 . 827 . 2 1 12 LYS C C -3.044 15.233 -2.461 . . . 1.0 . . . . . . . . . . . . B . 11 LYS C . . . . . . . . . rr_1pbz 1 . 11 . 828 . 2 1 12 LYS CA C -4.379 15.004 -3.268 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 11 . 829 . 2 1 12 LYS CB C -5.537 14.431 -2.398 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 11 . 830 . 2 1 12 LYS CD C -6.659 14.653 -0.067 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 11 . 831 . 2 1 12 LYS CE C -5.606 14.228 0.989 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 11 . 832 . 2 1 12 LYS CG C -6.074 15.391 -1.295 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 11 . 833 . 2 1 12 LYS H H -4.520 13.157 -4.593 . . . 1.0 . . . . . . . . . . . . B . 11 LYS H . . . . . . . . . rr_1pbz 1 . 11 . 834 . 2 1 12 LYS HA H -4.694 16.007 -3.619 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 11 . 835 . 2 1 12 LYS HB2 H -6.387 14.137 -3.047 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 11 . 836 . 2 1 12 LYS HB3 H -5.209 13.468 -1.956 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 11 . 837 . 2 1 12 LYS HD2 H -7.416 15.295 0.424 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 11 . 838 . 2 1 12 LYS HD3 H -7.251 13.786 -0.439 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 11 . 839 . 2 1 12 LYS HE2 H -4.638 13.975 0.496 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 11 . 840 . 2 1 12 LYS HE3 H -5.370 15.050 1.699 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 11 . 841 . 2 1 12 LYS HG2 H -5.307 16.124 -0.975 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 11 . 842 . 2 1 12 LYS HG3 H -6.861 16.026 -1.749 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 11 . 843 . 2 1 12 LYS HZ1 H -5.473 12.527 2.317 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 11 . 844 . 2 1 12 LYS HZ2 H -6.410 12.247 1.023 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 11 . 845 . 2 1 12 LYS HZ3 H -7.022 13.095 2.176 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 11 . 846 . 2 1 12 LYS N N -4.197 14.138 -4.491 . . . 1.0 . . . . . . . . . . . . B . 11 LYS N . . . . . . . . . rr_1pbz 1 . 11 . 847 . 2 1 12 LYS NZ N -6.121 13.014 1.687 . . . 1.0 . . . . . . . . . . . . B . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 11 . 848 . 2 1 12 LYS O O -2.516 16.355 -2.365 . . . 1.0 . . . . . . . . . . . . B . 11 LYS O . . . . . . . . . rr_1pbz 1 . 11 . 849 . 2 1 13 ALA C C -0.088 15.188 -1.948 . . . 1.0 . . . . . . . . . . . . B . 12 ALA C . . . . . . . . . rr_1pbz 1 . 11 . 850 . 2 1 13 ALA CA C -1.082 14.110 -1.371 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 11 . 851 . 2 1 13 ALA CB C -0.609 12.645 -1.430 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 11 . 852 . 2 1 13 ALA H H -3.014 13.286 -2.065 . . . 1.0 . . . . . . . . . . . . B . 12 ALA H . . . . . . . . . rr_1pbz 1 . 11 . 853 . 2 1 13 ALA HA H -1.179 14.302 -0.314 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 11 . 854 . 2 1 13 ALA HB1 H -1.250 11.988 -0.814 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 11 . 855 . 2 1 13 ALA HB2 H -0.582 12.240 -2.448 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 11 . 856 . 2 1 13 ALA HB3 H 0.417 12.563 -1.029 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 11 . 857 . 2 1 13 ALA N N -2.458 14.135 -1.940 . . . 1.0 . . . . . . . . . . . . B . 12 ALA N . . . . . . . . . rr_1pbz 1 . 11 . 858 . 2 1 13 ALA O O 0.130 16.264 -1.377 . . . 1.0 . . . . . . . . . . . . B . 12 ALA O . . . . . . . . . rr_1pbz 1 . 11 . 859 . 2 1 14 ALA C C 0.324 17.314 -4.413 . . . 1.0 . . . . . . . . . . . . B . 13 ALA C . . . . . . . . . rr_1pbz 1 . 11 . 860 . 2 1 14 ALA CA C 0.898 15.860 -4.153 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 11 . 861 . 2 1 14 ALA CB C 0.906 15.018 -5.444 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 11 . 862 . 2 1 14 ALA H H -0.474 14.184 -3.458 . . . 1.0 . . . . . . . . . . . . B . 13 ALA H . . . . . . . . . rr_1pbz 1 . 11 . 863 . 2 1 14 ALA HA H 1.942 15.993 -3.811 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 11 . 864 . 2 1 14 ALA HB1 H 1.371 14.023 -5.305 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 11 . 865 . 2 1 14 ALA HB2 H -0.125 14.839 -5.811 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 11 . 866 . 2 1 14 ALA HB3 H 1.445 15.531 -6.256 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 11 . 867 . 2 1 14 ALA N N 0.202 14.931 -3.212 . . . 1.0 . . . . . . . . . . . . B . 13 ALA N . . . . . . . . . rr_1pbz 1 . 11 . 868 . 2 1 14 ALA O O 1.088 18.265 -4.581 . . . 1.0 . . . . . . . . . . . . B . 13 ALA O . . . . . . . . . rr_1pbz 1 . 11 . 869 . 2 1 15 GLU C C -2.129 19.003 -2.889 . . . 1.0 . . . . . . . . . . . . B . 14 GLU C . . . . . . . . . rr_1pbz 1 . 11 . 870 . 2 1 15 GLU CA C -1.770 18.759 -4.417 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 11 . 871 . 2 1 15 GLU CB C -3.008 18.488 -5.313 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 11 . 872 . 2 1 15 GLU CD C -3.393 20.629 -6.751 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 11 . 873 . 2 1 15 GLU CG C -3.899 19.716 -5.647 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 11 . 874 . 2 1 15 GLU H H -1.402 16.654 -3.849 . . . 1.0 . . . . . . . . . . . . B . 14 GLU H . . . . . . . . . rr_1pbz 1 . 11 . 875 . 2 1 15 GLU HA H -1.221 19.601 -4.922 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 11 . 876 . 2 1 15 GLU HB2 H -2.681 18.019 -6.263 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 11 . 877 . 2 1 15 GLU HB3 H -3.632 17.719 -4.821 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 11 . 878 . 2 1 15 GLU HG2 H -4.895 19.379 -5.975 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 11 . 879 . 2 1 15 GLU HG3 H -4.076 20.338 -4.753 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 11 . 880 . 2 1 15 GLU N N -1.007 17.454 -4.395 . . . 1.0 . . . . . . . . . . . . B . 14 GLU N . . . . . . . . . rr_1pbz 1 . 11 . 881 . 2 1 15 GLU O O -3.272 18.950 -2.419 . . . 1.0 . . . . . . . . . . . . B . 14 GLU O . . . . . . . . . rr_1pbz 1 . 11 . 882 . 2 1 15 GLU OE1 O -3.710 20.367 -7.930 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 11 . 883 . 2 1 15 GLU OE2 O -2.714 21.628 -6.441 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 11 . 884 . 2 1 16 ALA C C -2.020 18.881 0.376 . . . 1.0 . . . . . . . . . . . . B . 15 ALA C . . . . . . . . . rr_1pbz 1 . 11 . 885 . 2 1 16 ALA CA C -0.908 19.299 -0.653 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 11 . 886 . 2 1 16 ALA CB C -0.605 20.766 -0.462 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 11 . 887 . 2 1 16 ALA H H -0.699 18.442 -2.454 . . . 1.0 . . . . . . . . . . . . B . 15 ALA H . . . . . . . . . rr_1pbz 1 . 11 . 888 . 2 1 16 ALA HA H 0.084 18.859 -0.337 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 11 . 889 . 2 1 16 ALA HB1 H -1.497 21.360 -0.742 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 11 . 890 . 2 1 16 ALA HB2 H -0.360 20.931 0.595 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 11 . 891 . 2 1 16 ALA HB3 H 0.265 21.065 -1.080 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 11 . 892 . 2 1 16 ALA N N -1.085 19.347 -2.141 . . . 1.0 . . . . . . . . . . . . B . 15 ALA N . . . . . . . . . rr_1pbz 1 . 11 . 893 . 2 1 16 ALA O O -2.413 19.457 1.395 . . . 1.0 . . . . . . . . . . . . B . 15 ALA O . . . . . . . . . rr_1pbz 1 . 11 . 894 . 2 1 17 GLY C C -1.973 15.588 1.647 . . . 1.0 . . . . . . . . . . . . B . 16 GLY C . . . . . . . . . rr_1pbz 1 . 11 . 895 . 2 1 17 GLY CA C -2.920 16.591 0.924 . . . 1.0 . . . . . . . . . . . . B . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 11 . 896 . 2 1 17 GLY H H -1.855 17.314 -0.800 . . . 1.0 . . . . . . . . . . . . B . 16 GLY H . . . . . . . . . rr_1pbz 1 . 11 . 897 . 2 1 17 GLY HA2 H -3.748 16.956 1.514 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 11 . 898 . 2 1 17 GLY HA3 H -3.340 15.924 0.140 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 11 . 899 . 2 1 17 GLY N N -2.255 17.610 0.101 . . . 1.0 . . . . . . . . . . . . B . 16 GLY N . . . . . . . . . rr_1pbz 1 . 11 . 900 . 2 1 17 GLY O O -2.446 14.581 2.169 . . . 1.0 . . . . . . . . . . . . B . 16 GLY O . . . . . . . . . rr_1pbz 1 . 11 . 901 . 2 1 18 CYS C C 0.281 13.491 2.224 . . . 1.0 . . . . . . . . . . . . B . 17 CYS C . . . . . . . . . rr_1pbz 1 . 11 . 902 . 2 1 18 CYS CA C 0.500 14.972 1.716 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 11 . 903 . 2 1 18 CYS CB C 1.610 15.730 2.499 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 11 . 904 . 2 1 18 CYS H H -0.629 16.836 1.132 . . . 1.0 . . . . . . . . . . . . B . 17 CYS H . . . . . . . . . rr_1pbz 1 . 11 . 905 . 2 1 18 CYS HA H 0.797 14.872 0.608 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 11 . 906 . 2 1 18 CYS HB2 H 1.896 16.685 2.021 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 11 . 907 . 2 1 18 CYS HB3 H 1.284 15.981 3.527 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 11 . 908 . 2 1 18 CYS N N -0.664 15.883 1.537 . . . 1.0 . . . . . . . . . . . . B . 17 CYS N . . . . . . . . . rr_1pbz 1 . 11 . 909 . 2 1 18 CYS O O 0.105 12.581 1.422 . . . 1.0 . . . . . . . . . . . . B . 17 CYS O . . . . . . . . . rr_1pbz 1 . 11 . 910 . 2 1 18 CYS SG S 3.099 14.714 2.640 . . . 1.0 . . . . . . . . . . . . B . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 11 . 911 . 2 1 19 NH2 HN1 H 0.470 12.146 3.628 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 11 . 912 . 2 1 19 NH2 HN2 H 0.548 13.905 4.150 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 11 . 913 . 2 1 19 NH2 N N 0.292 13.161 3.500 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 11 . 914 . 3 2 1 PC3 C C -4.659 2.856 -0.964 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C . . . . . . . . . rr_1pbz 1 . 11 . 915 . 3 2 1 PC3 C1 C -5.400 4.023 -0.559 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C1 . . . . . . . . . rr_1pbz 1 . 11 . 916 . 3 2 1 PC3 C10 C 0.139 0.385 -2.239 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C10 . . . . . . . . . rr_1pbz 1 . 11 . 917 . 3 2 1 PC3 C11 C 4.082 7.296 -0.726 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C11 . . . . . . . . . rr_1pbz 1 . 11 . 918 . 3 2 1 PC3 C12 C -5.569 8.943 1.941 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C12 . . . . . . . . . rr_1pbz 1 . 11 . 919 . 3 2 1 PC3 C14 C -5.235 1.434 -1.026 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C14 . . . . . . . . . rr_1pbz 1 . 11 . 920 . 3 2 1 PC3 C15 C -5.437 0.800 0.374 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C15 . . . . . . . . . rr_1pbz 1 . 11 . 921 . 3 2 1 PC3 C16 C 2.945 2.019 -1.854 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C16 . . . . . . . . . rr_1pbz 1 . 11 . 922 . 3 2 1 PC3 C17 C 3.402 2.119 -3.337 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C17 . . . . . . . . . rr_1pbz 1 . 11 . 923 . 3 2 1 PC3 C18 C 2.230 10.009 0.199 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C18 . . . . . . . . . rr_1pbz 1 . 11 . 924 . 3 2 1 PC3 C19 C 2.513 10.329 1.678 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C19 . . . . . . . . . rr_1pbz 1 . 11 . 925 . 3 2 1 PC3 C2 C -4.234 8.614 1.196 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2 . . . . . . . . . rr_1pbz 1 . 11 . 926 . 3 2 1 PC3 C21 C -4.148 0.719 1.165 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C21 . . . . . . . . . rr_1pbz 1 . 11 . 927 . 3 2 1 PC3 C22 C -7.522 10.417 0.926 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C22 . . . . . . . . . rr_1pbz 1 . 11 . 928 . 3 2 1 PC3 C23 C 1.455 9.897 2.688 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C23 . . . . . . . . . rr_1pbz 1 . 11 . 929 . 3 2 1 PC3 C24 C 3.548 3.546 -3.851 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C24 . . . . . . . . . rr_1pbz 1 . 11 . 930 . 3 2 1 PC3 C2A C -4.401 4.983 -0.247 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2A . . . . . . . . . rr_1pbz 1 . 11 . 931 . 3 2 1 PC3 C2C C -3.290 3.272 -0.946 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2C . . . . . . . . . rr_1pbz 1 . 11 . 932 . 3 2 1 PC3 C3 C -3.030 9.432 1.123 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C3 . . . . . . . . . rr_1pbz 1 . 11 . 933 . 3 2 1 PC3 C4 C 1.835 8.554 -0.007 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4 . . . . . . . . . rr_1pbz 1 . 11 . 934 . 3 2 1 PC3 C4A C -2.006 8.547 0.641 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4A . . . . . . . . . rr_1pbz 1 . 11 . 935 . 3 2 1 PC3 C4C C -3.808 7.365 0.618 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4C . . . . . . . . . rr_1pbz 1 . 11 . 936 . 3 2 1 PC3 C5 C 2.606 7.402 -0.431 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C5 . . . . . . . . . rr_1pbz 1 . 11 . 937 . 3 2 1 PC3 C6 C 1.521 2.554 -1.569 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6 . . . . . . . . . rr_1pbz 1 . 11 . 938 . 3 2 1 PC3 C6A C 1.661 6.358 -0.563 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6A . . . . . . . . . rr_1pbz 1 . 11 . 939 . 3 2 1 PC3 C6C C 0.512 8.082 0.068 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6C . . . . . . . . . rr_1pbz 1 . 11 . 940 . 3 2 1 PC3 C7 C 0.280 1.817 -1.727 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C7 . . . . . . . . . rr_1pbz 1 . 11 . 941 . 3 2 1 PC3 C8 C -2.860 10.869 1.629 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8 . . . . . . . . . rr_1pbz 1 . 11 . 942 . 3 2 1 PC3 C8A C -0.742 2.736 -1.344 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8A . . . . . . . . . rr_1pbz 1 . 11 . 943 . 3 2 1 PC3 C8C C 1.102 3.863 -1.163 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8C . . . . . . . . . rr_1pbz 1 . 11 . 944 . 3 2 1 PC3 C9 C -6.913 4.125 -0.359 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C9 . . . . . . . . . rr_1pbz 1 . 11 . 945 . 3 2 1 PC3 CA C -4.691 6.274 0.324 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CA . . . . . . . . . rr_1pbz 1 . 11 . 946 . 3 2 1 PC3 CB C -0.608 8.908 0.469 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CB . . . . . . . . . rr_1pbz 1 . 11 . 947 . 3 2 1 PC3 CC C 1.987 5.001 -0.952 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CC . . . . . . . . . rr_1pbz 1 . 11 . 948 . 3 2 1 PC3 CD C -2.163 2.434 -1.322 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CD . . . . . . . . . rr_1pbz 1 . 11 . 949 . 3 2 1 PC3 CO3 Co -1.330 5.611 -0.360 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CO3 . . . . . . . . . rr_1pbz 1 . 11 . 950 . 3 2 1 PC3 CX5 C -6.953 9.016 1.205 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CX5 . . . . . . . . . rr_1pbz 1 . 11 . 951 . 3 2 1 PC3 H101 H 1.025 -0.226 -1.983 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H101 . . . . . . . . . rr_1pbz 1 . 11 . 952 . 3 2 1 PC3 H102 H 0.049 0.358 -3.342 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H102 . . . . . . . . . rr_1pbz 1 . 11 . 953 . 3 2 1 PC3 H103 H -0.738 -0.141 -1.819 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H103 . . . . . . . . . rr_1pbz 1 . 11 . 954 . 3 2 1 PC3 H111 H 4.272 6.650 -1.607 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H111 . . . . . . . . . rr_1pbz 1 . 11 . 955 . 3 2 1 PC3 H112 H 4.516 8.287 -0.950 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H112 . . . . . . . . . rr_1pbz 1 . 11 . 956 . 3 2 1 PC3 H113 H 4.639 6.869 0.125 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H113 . . . . . . . . . rr_1pbz 1 . 11 . 957 . 3 2 1 PC3 H121 H -5.674 8.181 2.735 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H121 . . . . . . . . . rr_1pbz 1 . 11 . 958 . 3 2 1 PC3 H122 H -5.444 9.868 2.533 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H122 . . . . . . . . . rr_1pbz 1 . 11 . 959 . 3 2 1 PC3 H141 H -4.593 0.774 -1.636 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H141 . . . . . . . . . rr_1pbz 1 . 11 . 960 . 3 2 1 PC3 H142 H -6.208 1.440 -1.537 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H142 . . . . . . . . . rr_1pbz 1 . 11 . 961 . 3 2 1 PC3 H151 H -5.842 -0.224 0.288 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H151 . . . . . . . . . rr_1pbz 1 . 11 . 962 . 3 2 1 PC3 H152 H -6.180 1.362 0.968 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H152 . . . . . . . . . rr_1pbz 1 . 11 . 963 . 3 2 1 PC3 H161 H 3.013 0.959 -1.542 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H161 . . . . . . . . . rr_1pbz 1 . 11 . 964 . 3 2 1 PC3 H162 H 3.690 2.534 -1.218 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H162 . . . . . . . . . rr_1pbz 1 . 11 . 965 . 3 2 1 PC3 H171 H 4.378 1.615 -3.470 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H171 . . . . . . . . . rr_1pbz 1 . 11 . 966 . 3 2 1 PC3 H172 H 2.706 1.583 -4.006 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H172 . . . . . . . . . rr_1pbz 1 . 11 . 967 . 3 2 1 PC3 H181 H 1.406 10.659 -0.151 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H181 . . . . . . . . . rr_1pbz 1 . 11 . 968 . 3 2 1 PC3 H182 H 3.100 10.273 -0.426 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H182 . . . . . . . . . rr_1pbz 1 . 11 . 969 . 3 2 1 PC3 H191 H 3.452 9.843 1.960 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H191 . . . . . . . . . rr_1pbz 1 . 11 . 970 . 3 2 1 PC3 H192 H 2.684 11.412 1.808 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H192 . . . . . . . . . rr_1pbz 1 . 11 . 971 . 3 2 1 PC3 H221 H -6.960 8.443 0.267 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H221 . . . . . . . . . rr_1pbz 1 . 11 . 972 . 3 2 1 PC3 H222 H -7.715 8.519 1.835 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H222 . . . . . . . . . rr_1pbz 1 . 11 . 973 . 3 2 1 PC3 H81 H -3.002 11.608 0.821 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H81 . . . . . . . . . rr_1pbz 1 . 11 . 974 . 3 2 1 PC3 H82 H -3.568 11.119 2.437 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H82 . . . . . . . . . rr_1pbz 1 . 11 . 975 . 3 2 1 PC3 H83 H -1.852 11.043 2.057 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H83 . . . . . . . . . rr_1pbz 1 . 11 . 976 . 3 2 1 PC3 H91 H -7.193 4.004 0.705 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H91 . . . . . . . . . rr_1pbz 1 . 11 . 977 . 3 2 1 PC3 H92 H -7.457 3.343 -0.922 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H92 . . . . . . . . . rr_1pbz 1 . 11 . 978 . 3 2 1 PC3 H93 H -7.319 5.093 -0.708 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H93 . . . . . . . . . rr_1pbz 1 . 11 . 979 . 3 2 1 PC3 HA H -5.734 6.461 0.546 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HA . . . . . . . . . rr_1pbz 1 . 11 . 980 . 3 2 1 PC3 HB H -0.358 9.937 0.706 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HB . . . . . . . . . rr_1pbz 1 . 11 . 981 . 3 2 1 PC3 HC H 3.036 4.815 -1.164 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HC . . . . . . . . . rr_1pbz 1 . 11 . 982 . 3 2 1 PC3 HD H -2.425 1.417 -1.591 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HD . . . . . . . . . rr_1pbz 1 . 11 . 983 . 3 2 1 PC3 N2B N -3.108 4.575 -0.533 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N2B . . . . . . . . . rr_1pbz 1 . 11 . 984 . 3 2 1 PC3 N4B N -2.446 7.272 0.345 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N4B . . . . . . . . . rr_1pbz 1 . 11 . 985 . 3 2 1 PC3 N6B N 0.370 6.751 -0.282 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N6B . . . . . . . . . rr_1pbz 1 . 11 . 986 . 3 2 1 PC3 N8B N -0.263 3.976 -0.984 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N8B . . . . . . . . . rr_1pbz 1 . 11 . 987 . 3 2 1 PC3 O1 O -3.897 1.607 2.005 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O1 . . . . . . . . . rr_1pbz 1 . 11 . 988 . 3 2 1 PC3 O2 O -3.292 -0.104 0.793 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O2 . . . . . . . . . rr_1pbz 1 . 11 . 989 . 3 2 1 PC3 O22 O -7.054 11.042 -0.045 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O22 . . . . . . . . . rr_1pbz 1 . 11 . 990 . 3 2 1 PC3 O23 O 1.368 10.477 3.781 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O23 . . . . . . . . . rr_1pbz 1 . 11 . 991 . 3 2 1 PC3 O3 O -8.237 10.975 1.773 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O3 . . . . . . . . . rr_1pbz 1 . 11 . 992 . 3 2 1 PC3 O4 O 0.723 8.907 2.390 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O4 . . . . . . . . . rr_1pbz 1 . 11 . 993 . 3 2 1 PC3 O5 O 2.485 4.192 -4.041 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O5 . . . . . . . . . rr_1pbz 1 . 11 . 994 . 3 2 1 PC3 O6 O 4.664 4.093 -3.858 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O6 . . . . . . . . . rr_1pbz 1 . 12 . 995 . 1 1 2 CYS C C -3.215 -2.414 1.022 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . rr_1pbz 1 . 12 . 996 . 1 1 2 CYS CA C -2.919 -3.534 -0.056 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 12 . 997 . 1 1 2 CYS CB C -3.768 -3.374 -1.336 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 12 . 998 . 1 1 2 CYS H H -3.962 -5.562 0.124 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H . . . . . . . . . rr_1pbz 1 . 12 . 999 . 1 1 2 CYS HA H -1.842 -3.325 -0.354 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 12 . 1000 . 1 1 2 CYS HB2 H -3.515 -4.134 -2.102 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1001 . 1 1 2 CYS HB3 H -4.851 -3.473 -1.138 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1002 . 1 1 2 CYS N N -3.134 -4.977 0.351 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . rr_1pbz 1 . 12 . 1003 . 1 1 2 CYS O O -2.902 -1.253 0.760 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . rr_1pbz 1 . 12 . 1004 . 1 1 2 CYS SG S -3.470 -1.761 -2.084 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 12 . 1005 . 1 1 3 GLY C C -2.638 -1.750 4.315 . . . 1.0 . . . . . . . . . . . . A . 2 GLY C . . . . . . . . . rr_1pbz 1 . 12 . 1006 . 1 1 3 GLY CA C -3.852 -1.753 3.344 . . . 1.0 . . . . . . . . . . . . A . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 12 . 1007 . 1 1 3 GLY H H -4.078 -3.698 2.320 . . . 1.0 . . . . . . . . . . . . A . 2 GLY H . . . . . . . . . rr_1pbz 1 . 12 . 1008 . 1 1 3 GLY HA2 H -3.995 -0.715 2.977 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 12 . 1009 . 1 1 3 GLY HA3 H -4.755 -1.948 3.948 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 12 . 1010 . 1 1 3 GLY N N -3.792 -2.720 2.208 . . . 1.0 . . . . . . . . . . . . A . 2 GLY N . . . . . . . . . rr_1pbz 1 . 12 . 1011 . 1 1 3 GLY O O -2.290 -0.685 4.810 . . . 1.0 . . . . . . . . . . . . A . 2 GLY O . . . . . . . . . rr_1pbz 1 . 12 . 1012 . 1 1 4 ALA C C 0.554 -2.644 4.976 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . rr_1pbz 1 . 12 . 1013 . 1 1 4 ALA CA C -0.855 -2.986 5.561 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 12 . 1014 . 1 1 4 ALA CB C -0.926 -4.395 6.137 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 12 . 1015 . 1 1 4 ALA H H -2.279 -3.716 4.071 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . rr_1pbz 1 . 12 . 1016 . 1 1 4 ALA HA H -1.021 -2.279 6.400 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 12 . 1017 . 1 1 4 ALA HB1 H -0.135 -4.529 6.893 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 12 . 1018 . 1 1 4 ALA HB2 H -0.781 -5.153 5.345 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1019 . 1 1 4 ALA HB3 H -1.900 -4.572 6.628 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1020 . 1 1 4 ALA N N -2.013 -2.903 4.629 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . rr_1pbz 1 . 12 . 1021 . 1 1 4 ALA O O 1.333 -1.967 5.651 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . rr_1pbz 1 . 12 . 1022 . 1 1 5 GLU C C 2.006 -1.011 2.738 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . rr_1pbz 1 . 12 . 1023 . 1 1 5 GLU CA C 2.124 -2.556 3.051 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 12 . 1024 . 1 1 5 GLU CB C 2.357 -3.388 1.792 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 12 . 1025 . 1 1 5 GLU CD C 4.201 -5.012 2.705 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 12 . 1026 . 1 1 5 GLU CG C 2.883 -4.845 1.965 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 12 . 1027 . 1 1 5 GLU H H 0.383 -3.865 3.352 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . rr_1pbz 1 . 12 . 1028 . 1 1 5 GLU HA H 3.020 -2.707 3.663 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 12 . 1029 . 1 1 5 GLU HB2 H 1.409 -3.367 1.227 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1030 . 1 1 5 GLU HB3 H 3.100 -2.816 1.214 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1031 . 1 1 5 GLU HG2 H 2.132 -5.470 2.479 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 12 . 1032 . 1 1 5 GLU HG3 H 3.026 -5.313 0.977 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 12 . 1033 . 1 1 5 GLU N N 0.924 -3.096 3.763 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . rr_1pbz 1 . 12 . 1034 . 1 1 5 GLU O O 2.945 -0.234 2.936 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . rr_1pbz 1 . 12 . 1035 . 1 1 5 GLU OE1 O 5.207 -4.365 2.345 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 12 . 1036 . 1 1 5 GLU OE2 O 4.249 -5.772 3.694 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 12 . 1037 . 1 1 6 ALA C C 0.554 1.586 3.619 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . rr_1pbz 1 . 12 . 1038 . 1 1 6 ALA CA C 0.441 0.873 2.235 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 12 . 1039 . 1 1 6 ALA CB C -1.021 0.906 1.782 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 12 . 1040 . 1 1 6 ALA H H 0.139 -1.353 2.268 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . rr_1pbz 1 . 12 . 1041 . 1 1 6 ALA HA H 1.074 1.465 1.513 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 12 . 1042 . 1 1 6 ALA HB1 H -1.427 1.927 1.783 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 12 . 1043 . 1 1 6 ALA HB2 H -1.143 0.480 0.774 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1044 . 1 1 6 ALA HB3 H -1.669 0.328 2.472 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1045 . 1 1 6 ALA N N 0.814 -0.570 2.282 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . rr_1pbz 1 . 12 . 1046 . 1 1 6 ALA O O 1.160 2.648 3.641 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . rr_1pbz 1 . 12 . 1047 . 1 1 7 ALA C C 1.814 1.631 6.534 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_1pbz 1 . 12 . 1048 . 1 1 7 ALA CA C 0.303 1.562 6.105 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 12 . 1049 . 1 1 7 ALA CB C -0.381 0.586 7.045 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 12 . 1050 . 1 1 7 ALA H H -0.529 0.177 4.606 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_1pbz 1 . 12 . 1051 . 1 1 7 ALA HA H -0.212 2.553 6.244 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 12 . 1052 . 1 1 7 ALA HB1 H -0.254 0.922 8.085 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 12 . 1053 . 1 1 7 ALA HB2 H 0.088 -0.410 6.970 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1054 . 1 1 7 ALA HB3 H -1.453 0.495 6.818 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1055 . 1 1 7 ALA N N 0.026 1.045 4.736 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_1pbz 1 . 12 . 1056 . 1 1 7 ALA O O 2.200 2.618 7.161 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_1pbz 1 . 12 . 1057 . 1 1 8 LYS C C 4.789 1.928 5.602 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1pbz 1 . 12 . 1058 . 1 1 8 LYS CA C 4.147 0.714 6.373 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 12 . 1059 . 1 1 8 LYS CB C 4.685 -0.682 5.946 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 12 . 1060 . 1 1 8 LYS CD C 6.712 -2.140 5.287 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 12 . 1061 . 1 1 8 LYS CE C 6.147 -3.516 5.695 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 12 . 1062 . 1 1 8 LYS CG C 6.200 -0.949 6.133 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 12 . 1063 . 1 1 8 LYS H H 2.207 -0.216 5.767 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1pbz 1 . 12 . 1064 . 1 1 8 LYS HA H 4.369 0.901 7.450 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 12 . 1065 . 1 1 8 LYS HB2 H 4.120 -1.469 6.484 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1066 . 1 1 8 LYS HB3 H 4.424 -0.835 4.879 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1067 . 1 1 8 LYS HD2 H 6.482 -1.930 4.219 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 12 . 1068 . 1 1 8 LYS HD3 H 7.820 -2.158 5.333 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 12 . 1069 . 1 1 8 LYS HE2 H 6.472 -3.791 6.722 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 12 . 1070 . 1 1 8 LYS HE3 H 5.033 -3.477 5.740 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 12 . 1071 . 1 1 8 LYS HG2 H 6.771 -0.046 5.831 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 12 . 1072 . 1 1 8 LYS HG3 H 6.440 -1.081 7.207 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 12 . 1073 . 1 1 8 LYS HZ1 H 6.137 -4.322 3.748 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 12 . 1074 . 1 1 8 LYS HZ2 H 6.069 -5.444 4.788 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 12 . 1075 . 1 1 8 LYS HZ3 H 7.550 -4.690 4.525 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 12 . 1076 . 1 1 8 LYS N N 2.658 0.616 6.211 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1pbz 1 . 12 . 1077 . 1 1 8 LYS NZ N 6.553 -4.535 4.692 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 12 . 1078 . 1 1 8 LYS O O 5.579 2.682 6.175 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1pbz 1 . 12 . 1079 . 1 1 9 ALA C C 4.081 4.689 4.176 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_1pbz 1 . 12 . 1080 . 1 1 9 ALA CA C 4.723 3.383 3.581 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 12 . 1081 . 1 1 9 ALA CB C 4.167 3.171 2.186 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 12 . 1082 . 1 1 9 ALA H H 3.881 1.365 3.912 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_1pbz 1 . 12 . 1083 . 1 1 9 ALA HA H 5.816 3.501 3.443 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 12 . 1084 . 1 1 9 ALA HB1 H 3.073 3.046 2.219 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 12 . 1085 . 1 1 9 ALA HB2 H 4.622 2.282 1.724 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1086 . 1 1 9 ALA HB3 H 4.400 4.059 1.572 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1087 . 1 1 9 ALA N N 4.425 2.134 4.323 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_1pbz 1 . 12 . 1088 . 1 1 9 ALA O O 4.722 5.732 4.157 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_1pbz 1 . 12 . 1089 . 1 1 10 HIS C C 2.986 6.144 6.748 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_1pbz 1 . 12 . 1090 . 1 1 10 HIS CA C 2.191 5.758 5.451 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 12 . 1091 . 1 1 10 HIS CB C 0.689 5.377 5.581 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 12 . 1092 . 1 1 10 HIS CD2 C 0.008 5.721 3.057 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 12 . 1093 . 1 1 10 HIS CE1 C -1.762 4.455 2.965 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 12 . 1094 . 1 1 10 HIS CG C -0.203 5.201 4.321 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 12 . 1095 . 1 1 10 HIS H H 2.345 3.734 4.558 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_1pbz 1 . 12 . 1096 . 1 1 10 HIS HA H 2.260 6.710 4.900 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 12 . 1097 . 1 1 10 HIS HB2 H 0.672 4.437 6.153 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1098 . 1 1 10 HIS HB3 H 0.210 6.116 6.234 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1099 . 1 1 10 HIS HD1 H -1.848 3.945 5.084 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 12 . 1100 . 1 1 10 HIS HD2 H 0.816 6.352 2.728 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 12 . 1101 . 1 1 10 HIS HE1 H -2.627 3.892 2.614 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 12 . 1102 . 1 1 10 HIS N N 2.821 4.653 4.665 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_1pbz 1 . 12 . 1103 . 1 1 10 HIS ND1 N -1.314 4.346 4.302 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 12 . 1104 . 1 1 10 HIS NE2 N -0.984 5.305 2.252 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 12 . 1105 . 1 1 10 HIS O O 3.365 7.311 6.828 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_1pbz 1 . 12 . 1106 . 1 1 11 ALA C C 5.711 6.025 8.269 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_1pbz 1 . 12 . 1107 . 1 1 11 ALA CA C 4.316 5.482 8.754 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 12 . 1108 . 1 1 11 ALA CB C 4.433 4.093 9.429 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 12 . 1109 . 1 1 11 ALA H H 2.594 4.545 7.961 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_1pbz 1 . 12 . 1110 . 1 1 11 ALA HA H 3.924 6.215 9.479 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 12 . 1111 . 1 1 11 ALA HB1 H 5.159 4.105 10.261 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 12 . 1112 . 1 1 11 ALA HB2 H 4.791 3.318 8.719 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1113 . 1 1 11 ALA HB3 H 3.472 3.727 9.836 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1114 . 1 1 11 ALA N N 3.306 5.235 7.693 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_1pbz 1 . 12 . 1115 . 1 1 11 ALA O O 6.178 7.060 8.759 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_1pbz 1 . 12 . 1116 . 1 1 12 LYS C C 7.648 7.248 6.046 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_1pbz 1 . 12 . 1117 . 1 1 12 LYS CA C 7.651 5.830 6.719 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 12 . 1118 . 1 1 12 LYS CB C 8.256 4.712 5.822 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 12 . 1119 . 1 1 12 LYS CD C 10.674 4.702 6.796 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 12 . 1120 . 1 1 12 LYS CE C 12.104 5.225 6.584 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 12 . 1121 . 1 1 12 LYS CG C 9.778 4.856 5.539 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 12 . 1122 . 1 1 12 LYS H H 5.691 4.709 6.791 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_1pbz 1 . 12 . 1123 . 1 1 12 LYS HA H 8.304 5.956 7.598 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 12 . 1124 . 1 1 12 LYS HB2 H 8.061 3.718 6.270 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1125 . 1 1 12 LYS HB3 H 7.694 4.692 4.866 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1126 . 1 1 12 LYS HD2 H 10.229 5.261 7.644 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 12 . 1127 . 1 1 12 LYS HD3 H 10.681 3.646 7.133 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 12 . 1128 . 1 1 12 LYS HE2 H 12.686 4.553 5.916 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 12 . 1129 . 1 1 12 LYS HE3 H 12.070 6.214 6.068 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 12 . 1130 . 1 1 12 LYS HG2 H 10.083 4.119 4.770 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 12 . 1131 . 1 1 12 LYS HG3 H 9.950 5.844 5.065 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 12 . 1132 . 1 1 12 LYS HZ1 H 12.589 4.665 8.613 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 12 . 1133 . 1 1 12 LYS HZ2 H 13.724 5.700 7.941 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 12 . 1134 . 1 1 12 LYS HZ3 H 12.282 6.216 8.415 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 12 . 1135 . 1 1 12 LYS N N 6.339 5.361 7.273 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_1pbz 1 . 12 . 1136 . 1 1 12 LYS NZ N 12.744 5.404 7.918 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 12 . 1137 . 1 1 12 LYS O O 8.586 8.034 6.210 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_1pbz 1 . 12 . 1138 . 1 1 13 ALA C C 5.970 9.858 6.043 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . rr_1pbz 1 . 12 . 1139 . 1 1 13 ALA CA C 6.275 8.916 4.823 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 12 . 1140 . 1 1 13 ALA CB C 5.174 8.778 3.759 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 12 . 1141 . 1 1 13 ALA H H 5.950 6.762 5.153 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . rr_1pbz 1 . 12 . 1142 . 1 1 13 ALA HA H 7.171 9.315 4.313 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 12 . 1143 . 1 1 13 ALA HB1 H 5.478 8.112 2.931 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 12 . 1144 . 1 1 13 ALA HB2 H 4.237 8.377 4.188 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1145 . 1 1 13 ALA HB3 H 4.933 9.757 3.315 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1146 . 1 1 13 ALA N N 6.586 7.554 5.293 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . rr_1pbz 1 . 12 . 1147 . 1 1 13 ALA O O 6.819 10.671 6.347 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . rr_1pbz 1 . 12 . 1148 . 1 1 14 ALA C C 5.919 10.810 9.059 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_1pbz 1 . 12 . 1149 . 1 1 14 ALA CA C 4.679 10.470 8.130 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 12 . 1150 . 1 1 14 ALA CB C 3.596 9.629 8.816 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 12 . 1151 . 1 1 14 ALA H H 4.147 9.268 6.308 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_1pbz 1 . 12 . 1152 . 1 1 14 ALA HA H 4.222 11.452 7.929 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 12 . 1153 . 1 1 14 ALA HB1 H 3.971 8.612 9.033 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 12 . 1154 . 1 1 14 ALA HB2 H 3.273 10.087 9.762 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1155 . 1 1 14 ALA HB3 H 2.699 9.520 8.174 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1156 . 1 1 14 ALA N N 4.884 9.755 6.812 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_1pbz 1 . 12 . 1157 . 1 1 14 ALA O O 5.932 11.824 9.760 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_1pbz 1 . 12 . 1158 . 1 1 15 GLU C C 9.149 11.149 8.611 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . rr_1pbz 1 . 12 . 1159 . 1 1 15 GLU CA C 8.304 10.182 9.554 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 12 . 1160 . 1 1 15 GLU CB C 8.931 8.769 9.777 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 12 . 1161 . 1 1 15 GLU CD C 11.265 7.647 9.599 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 12 . 1162 . 1 1 15 GLU CG C 10.410 8.705 10.273 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 12 . 1163 . 1 1 15 GLU H H 6.678 9.215 8.325 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . rr_1pbz 1 . 12 . 1164 . 1 1 15 GLU HA H 8.231 10.679 10.541 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 12 . 1165 . 1 1 15 GLU HB2 H 8.298 8.197 10.483 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1166 . 1 1 15 GLU HB3 H 8.846 8.207 8.827 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1167 . 1 1 15 GLU HG2 H 10.937 9.662 10.104 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 12 . 1168 . 1 1 15 GLU HG3 H 10.453 8.539 11.363 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 12 . 1169 . 1 1 15 GLU N N 6.928 9.933 9.023 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . rr_1pbz 1 . 12 . 1170 . 1 1 15 GLU O O 9.419 12.288 9.000 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . rr_1pbz 1 . 12 . 1171 . 1 1 15 GLU OE1 O 11.754 7.893 8.480 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 12 . 1172 . 1 1 15 GLU OE2 O 11.457 6.542 10.144 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 12 . 1173 . 1 1 16 ALA C C 9.482 12.349 5.323 . . . 1.0 . . . . . . . . . . . . A . 15 ALA C . . . . . . . . . rr_1pbz 1 . 12 . 1174 . 1 1 16 ALA CA C 10.330 11.576 6.418 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 12 . 1175 . 1 1 16 ALA CB C 11.401 10.643 5.818 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 12 . 1176 . 1 1 16 ALA H H 9.405 9.712 7.259 . . . 1.0 . . . . . . . . . . . . A . 15 ALA H . . . . . . . . . rr_1pbz 1 . 12 . 1177 . 1 1 16 ALA HA H 10.872 12.368 6.974 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 12 . 1178 . 1 1 16 ALA HB1 H 12.074 11.192 5.135 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 12 . 1179 . 1 1 16 ALA HB2 H 10.951 9.810 5.245 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1180 . 1 1 16 ALA HB3 H 12.037 10.192 6.605 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1181 . 1 1 16 ALA N N 9.580 10.718 7.400 . . . 1.0 . . . . . . . . . . . . A . 15 ALA N . . . . . . . . . rr_1pbz 1 . 12 . 1182 . 1 1 16 ALA O O 9.712 13.533 5.069 . . . 1.0 . . . . . . . . . . . . A . 15 ALA O . . . . . . . . . rr_1pbz 1 . 12 . 1183 . 1 1 17 GLY C C 6.324 12.880 4.552 . . . 1.0 . . . . . . . . . . . . A . 16 GLY C . . . . . . . . . rr_1pbz 1 . 12 . 1184 . 1 1 17 GLY CA C 7.508 12.265 3.761 . . . 1.0 . . . . . . . . . . . . A . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 12 . 1185 . 1 1 17 GLY H H 8.319 10.848 5.203 . . . 1.0 . . . . . . . . . . . . A . 16 GLY H . . . . . . . . . rr_1pbz 1 . 12 . 1186 . 1 1 17 GLY HA2 H 7.896 13.014 3.074 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 12 . 1187 . 1 1 17 GLY HA3 H 7.087 11.430 3.163 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 12 . 1188 . 1 1 17 GLY N N 8.573 11.653 4.617 . . . 1.0 . . . . . . . . . . . . A . 16 GLY N . . . . . . . . . rr_1pbz 1 . 12 . 1189 . 1 1 17 GLY O O 6.531 13.723 5.427 . . . 1.0 . . . . . . . . . . . . A . 16 GLY O . . . . . . . . . rr_1pbz 1 . 12 . 1190 . 1 1 18 CYS C C 2.706 11.809 4.839 . . . 1.0 . . . . . . . . . . . . A . 17 CYS C . . . . . . . . . rr_1pbz 1 . 12 . 1191 . 1 1 18 CYS CA C 3.915 12.746 5.119 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 12 . 1192 . 1 1 18 CYS CB C 3.521 14.242 5.073 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 12 . 1193 . 1 1 18 CYS H H 4.975 11.874 3.421 . . . 1.0 . . . . . . . . . . . . A . 17 CYS H . . . . . . . . . rr_1pbz 1 . 12 . 1194 . 1 1 18 CYS HA H 4.272 12.468 6.143 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 12 . 1195 . 1 1 18 CYS HB2 H 3.238 14.566 6.088 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1196 . 1 1 18 CYS HB3 H 4.368 14.891 4.785 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1197 . 1 1 18 CYS N N 5.077 12.466 4.243 . . . 1.0 . . . . . . . . . . . . A . 17 CYS N . . . . . . . . . rr_1pbz 1 . 12 . 1198 . 1 1 18 CYS O O 2.789 10.623 4.489 . . . 1.0 . . . . . . . . . . . . A . 17 CYS O . . . . . . . . . rr_1pbz 1 . 12 . 1199 . 1 1 18 CYS SG S 2.124 14.602 3.986 . . . 1.0 . . . . . . . . . . . . A . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 12 . 1200 . 1 1 19 NH2 HN1 H 1.514 13.380 5.334 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 12 . 1201 . 1 1 19 NH2 HN2 H 0.675 11.871 4.914 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 12 . 1202 . 1 1 19 NH2 N N 1.546 12.396 5.044 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 12 . 1203 . 2 1 2 CYS C C -5.500 0.466 -5.450 . . . 1.0 . . . . . . . . . . . . B . 1 CYS C . . . . . . . . . rr_1pbz 1 . 12 . 1204 . 2 1 2 CYS CA C -6.333 -0.858 -5.227 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 12 . 1205 . 2 1 2 CYS CB C -5.632 -1.850 -4.267 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 12 . 1206 . 2 1 2 CYS H H -6.135 -2.402 -6.888 . . . 1.0 . . . . . . . . . . . . B . 1 CYS H . . . . . . . . . rr_1pbz 1 . 12 . 1207 . 2 1 2 CYS HA H -7.252 -0.503 -4.685 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 12 . 1208 . 2 1 2 CYS HB2 H -6.274 -2.717 -4.011 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1209 . 2 1 2 CYS HB3 H -4.696 -2.264 -4.684 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1210 . 2 1 2 CYS N N -6.707 -1.661 -6.448 . . . 1.0 . . . . . . . . . . . . B . 1 CYS N . . . . . . . . . rr_1pbz 1 . 12 . 1211 . 2 1 2 CYS O O -5.506 1.314 -4.552 . . . 1.0 . . . . . . . . . . . . B . 1 CYS O . . . . . . . . . rr_1pbz 1 . 12 . 1212 . 2 1 2 CYS SG S -5.218 -1.036 -2.714 . . . 1.0 . . . . . . . . . . . . B . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 12 . 1213 . 2 1 3 GLY C C -4.891 3.180 -7.435 . . . 1.0 . . . . . . . . . . . . B . 2 GLY C . . . . . . . . . rr_1pbz 1 . 12 . 1214 . 2 1 3 GLY CA C -4.107 1.963 -6.874 . . . 1.0 . . . . . . . . . . . . B . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 12 . 1215 . 2 1 3 GLY H H -4.932 -0.021 -7.338 . . . 1.0 . . . . . . . . . . . . B . 2 GLY H . . . . . . . . . rr_1pbz 1 . 12 . 1216 . 2 1 3 GLY HA2 H -3.559 2.292 -5.967 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 12 . 1217 . 2 1 3 GLY HA3 H -3.284 1.758 -7.583 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 12 . 1218 . 2 1 3 GLY N N -4.836 0.689 -6.606 . . . 1.0 . . . . . . . . . . . . B . 2 GLY N . . . . . . . . . rr_1pbz 1 . 12 . 1219 . 2 1 3 GLY O O -4.268 4.223 -7.583 . . . 1.0 . . . . . . . . . . . . B . 2 GLY O . . . . . . . . . rr_1pbz 1 . 12 . 1220 . 2 1 4 ALA C C -7.655 5.192 -7.242 . . . 1.0 . . . . . . . . . . . . B . 3 ALA C . . . . . . . . . rr_1pbz 1 . 12 . 1221 . 2 1 4 ALA CA C -6.980 4.258 -8.302 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 12 . 1222 . 2 1 4 ALA CB C -7.971 3.620 -9.278 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 12 . 1223 . 2 1 4 ALA H H -6.626 2.192 -7.607 . . . 1.0 . . . . . . . . . . . . B . 3 ALA H . . . . . . . . . rr_1pbz 1 . 12 . 1224 . 2 1 4 ALA HA H -6.297 4.924 -8.885 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 12 . 1225 . 2 1 4 ALA HB1 H -7.442 3.050 -10.064 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 12 . 1226 . 2 1 4 ALA HB2 H -8.660 2.928 -8.757 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1227 . 2 1 4 ALA HB3 H -8.576 4.396 -9.774 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1228 . 2 1 4 ALA N N -6.197 3.108 -7.757 . . . 1.0 . . . . . . . . . . . . B . 3 ALA N . . . . . . . . . rr_1pbz 1 . 12 . 1229 . 2 1 4 ALA O O -7.495 6.412 -7.355 . . . 1.0 . . . . . . . . . . . . B . 3 ALA O . . . . . . . . . rr_1pbz 1 . 12 . 1230 . 2 1 5 GLU C C -7.567 6.059 -4.235 . . . 1.0 . . . . . . . . . . . . B . 4 GLU C . . . . . . . . . rr_1pbz 1 . 12 . 1231 . 2 1 5 GLU CA C -8.808 5.534 -5.053 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 12 . 1232 . 2 1 5 GLU CB C -9.884 4.834 -4.193 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 12 . 1233 . 2 1 5 GLU CD C -11.568 6.858 -3.874 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 12 . 1234 . 2 1 5 GLU CG C -10.695 5.776 -3.243 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 12 . 1235 . 2 1 5 GLU H H -8.742 3.724 -6.379 . . . 1.0 . . . . . . . . . . . . B . 4 GLU H . . . . . . . . . rr_1pbz 1 . 12 . 1236 . 2 1 5 GLU HA H -9.266 6.443 -5.462 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 12 . 1237 . 2 1 5 GLU HB2 H -10.597 4.309 -4.855 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1238 . 2 1 5 GLU HB3 H -9.393 4.033 -3.604 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1239 . 2 1 5 GLU HG2 H -11.374 5.172 -2.619 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 12 . 1240 . 2 1 5 GLU HG3 H -10.016 6.275 -2.530 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 12 . 1241 . 2 1 5 GLU N N -8.414 4.686 -6.238 . . . 1.0 . . . . . . . . . . . . B . 4 GLU N . . . . . . . . . rr_1pbz 1 . 12 . 1242 . 2 1 5 GLU O O -7.547 7.199 -3.755 . . . 1.0 . . . . . . . . . . . . B . 4 GLU O . . . . . . . . . rr_1pbz 1 . 12 . 1243 . 2 1 5 GLU OE1 O -12.372 6.550 -4.776 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 12 . 1244 . 2 1 5 GLU OE2 O -11.466 8.042 -3.488 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 12 . 1245 . 2 1 6 ALA C C -4.655 6.850 -4.655 . . . 1.0 . . . . . . . . . . . . B . 5 ALA C . . . . . . . . . rr_1pbz 1 . 12 . 1246 . 2 1 6 ALA CA C -5.154 5.704 -3.728 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 12 . 1247 . 2 1 6 ALA CB C -4.165 4.549 -3.920 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 12 . 1248 . 2 1 6 ALA H H -6.680 4.378 -4.695 . . . 1.0 . . . . . . . . . . . . B . 5 ALA H . . . . . . . . . rr_1pbz 1 . 12 . 1249 . 2 1 6 ALA HA H -5.124 6.083 -2.671 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 12 . 1250 . 2 1 6 ALA HB1 H -4.091 4.267 -4.988 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 12 . 1251 . 2 1 6 ALA HB2 H -4.420 3.647 -3.358 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1252 . 2 1 6 ALA HB3 H -3.138 4.858 -3.678 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1253 . 2 1 6 ALA N N -6.503 5.232 -4.141 . . . 1.0 . . . . . . . . . . . . B . 5 ALA N . . . . . . . . . rr_1pbz 1 . 12 . 1254 . 2 1 6 ALA O O -4.355 7.906 -4.118 . . . 1.0 . . . . . . . . . . . . B . 5 ALA O . . . . . . . . . rr_1pbz 1 . 12 . 1255 . 2 1 7 ALA C C -4.758 9.152 -6.771 . . . 1.0 . . . . . . . . . . . . B . 6 ALA C . . . . . . . . . rr_1pbz 1 . 12 . 1256 . 2 1 7 ALA CA C -4.072 7.727 -6.901 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 12 . 1257 . 2 1 7 ALA CB C -4.280 7.209 -8.319 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 12 . 1258 . 2 1 7 ALA H H -4.919 5.790 -6.386 . . . 1.0 . . . . . . . . . . . . B . 6 ALA H . . . . . . . . . rr_1pbz 1 . 12 . 1259 . 2 1 7 ALA HA H -2.980 7.671 -6.684 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 12 . 1260 . 2 1 7 ALA HB1 H -5.346 6.980 -8.502 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 12 . 1261 . 2 1 7 ALA HB2 H -3.685 6.302 -8.496 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1262 . 2 1 7 ALA HB3 H -3.972 7.970 -9.052 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1263 . 2 1 7 ALA N N -4.610 6.695 -5.997 . . . 1.0 . . . . . . . . . . . . B . 6 ALA N . . . . . . . . . rr_1pbz 1 . 12 . 1264 . 2 1 7 ALA O O -4.104 10.184 -6.634 . . . 1.0 . . . . . . . . . . . . B . 6 ALA O . . . . . . . . . rr_1pbz 1 . 12 . 1265 . 2 1 8 LYS C C -6.714 10.927 -5.014 . . . 1.0 . . . . . . . . . . . . B . 7 LYS C . . . . . . . . . rr_1pbz 1 . 12 . 1266 . 2 1 8 LYS CA C -7.000 10.296 -6.426 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 12 . 1267 . 2 1 8 LYS CB C -8.399 9.627 -6.605 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 12 . 1268 . 2 1 8 LYS CD C -10.900 9.455 -6.492 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 12 . 1269 . 2 1 8 LYS CE C -12.238 9.957 -5.924 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 12 . 1270 . 2 1 8 LYS CG C -9.695 10.411 -6.297 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 12 . 1271 . 2 1 8 LYS H H -6.482 8.209 -6.964 . . . 1.0 . . . . . . . . . . . . B . 7 LYS H . . . . . . . . . rr_1pbz 1 . 12 . 1272 . 2 1 8 LYS HA H -6.840 11.111 -7.172 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 12 . 1273 . 2 1 8 LYS HB2 H -8.480 9.239 -7.643 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1274 . 2 1 8 LYS HB3 H -8.423 8.715 -5.966 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1275 . 2 1 8 LYS HD2 H -11.003 9.198 -7.566 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 12 . 1276 . 2 1 8 LYS HD3 H -10.653 8.488 -5.999 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 12 . 1277 . 2 1 8 LYS HE2 H -12.084 10.300 -4.876 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 12 . 1278 . 2 1 8 LYS HE3 H -12.616 10.834 -6.495 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 12 . 1279 . 2 1 8 LYS HG2 H -9.656 10.778 -5.253 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 12 . 1280 . 2 1 8 LYS HG3 H -9.778 11.307 -6.945 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 12 . 1281 . 2 1 8 LYS HZ1 H -12.803 8.008 -5.372 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 12 . 1282 . 2 1 8 LYS HZ2 H -14.107 8.964 -5.490 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 12 . 1283 . 2 1 8 LYS HZ3 H -13.347 8.369 -6.847 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 12 . 1284 . 2 1 8 LYS N N -6.106 9.151 -6.774 . . . 1.0 . . . . . . . . . . . . B . 7 LYS N . . . . . . . . . rr_1pbz 1 . 12 . 1285 . 2 1 8 LYS NZ N -13.196 8.814 -5.935 . . . 1.0 . . . . . . . . . . . . B . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 12 . 1286 . 2 1 8 LYS O O -6.553 12.144 -4.916 . . . 1.0 . . . . . . . . . . . . B . 7 LYS O . . . . . . . . . rr_1pbz 1 . 12 . 1287 . 2 1 9 ALA C C -4.596 11.172 -2.664 . . . 1.0 . . . . . . . . . . . . B . 8 ALA C . . . . . . . . . rr_1pbz 1 . 12 . 1288 . 2 1 9 ALA CA C -6.065 10.619 -2.625 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 12 . 1289 . 2 1 9 ALA CB C -5.994 9.417 -1.692 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 12 . 1290 . 2 1 9 ALA H H -6.804 9.135 -4.088 . . . 1.0 . . . . . . . . . . . . B . 8 ALA H . . . . . . . . . rr_1pbz 1 . 12 . 1291 . 2 1 9 ALA HA H -6.754 11.346 -2.152 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 12 . 1292 . 2 1 9 ALA HB1 H -6.972 8.932 -1.593 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 12 . 1293 . 2 1 9 ALA HB2 H -5.264 8.680 -2.070 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1294 . 2 1 9 ALA HB3 H -5.628 9.754 -0.706 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1295 . 2 1 9 ALA N N -6.622 10.135 -3.921 . . . 1.0 . . . . . . . . . . . . B . 8 ALA N . . . . . . . . . rr_1pbz 1 . 12 . 1296 . 2 1 9 ALA O O -4.254 12.063 -1.895 . . . 1.0 . . . . . . . . . . . . B . 8 ALA O . . . . . . . . . rr_1pbz 1 . 12 . 1297 . 2 1 10 HIS C C -2.172 12.325 -4.314 . . . 1.0 . . . . . . . . . . . . B . 9 HIS C . . . . . . . . . rr_1pbz 1 . 12 . 1298 . 2 1 10 HIS CA C -2.300 10.914 -3.651 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 12 . 1299 . 2 1 10 HIS CB C -1.654 9.686 -4.347 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 12 . 1300 . 2 1 10 HIS CD2 C -1.843 8.142 -2.221 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 12 . 1301 . 2 1 10 HIS CE1 C -1.054 6.301 -3.099 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 12 . 1302 . 2 1 10 HIS CG C -1.548 8.365 -3.560 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 12 . 1303 . 2 1 10 HIS H H -4.200 9.972 -4.215 . . . 1.0 . . . . . . . . . . . . B . 9 HIS H . . . . . . . . . rr_1pbz 1 . 12 . 1304 . 2 1 10 HIS HA H -1.810 10.995 -2.659 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 12 . 1305 . 2 1 10 HIS HB2 H -2.189 9.477 -5.289 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1306 . 2 1 10 HIS HB3 H -0.635 9.965 -4.656 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1307 . 2 1 10 HIS HD1 H -0.639 7.083 -5.084 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 12 . 1308 . 2 1 10 HIS HD2 H -2.326 8.852 -1.547 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 12 . 1309 . 2 1 10 HIS HE1 H -0.738 5.272 -3.247 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 12 . 1310 . 2 1 10 HIS N N -3.733 10.558 -3.492 . . . 1.0 . . . . . . . . . . . . B . 9 HIS N . . . . . . . . . rr_1pbz 1 . 12 . 1311 . 2 1 10 HIS ND1 N -1.130 7.190 -4.186 . . . 1.0 . . . . . . . . . . . . B . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 12 . 1312 . 2 1 10 HIS NE2 N -1.420 6.895 -1.937 . . . 1.0 . . . . . . . . . . . . B . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 12 . 1313 . 2 1 10 HIS O O -1.590 13.205 -3.685 . . . 1.0 . . . . . . . . . . . . B . 9 HIS O . . . . . . . . . rr_1pbz 1 . 12 . 1314 . 2 1 11 ALA C C -3.719 14.939 -5.112 . . . 1.0 . . . . . . . . . . . . B . 10 ALA C . . . . . . . . . rr_1pbz 1 . 12 . 1315 . 2 1 11 ALA CA C -3.038 13.896 -6.071 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 12 . 1316 . 2 1 11 ALA CB C -3.938 13.561 -7.288 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 12 . 1317 . 2 1 11 ALA H H -3.006 11.741 -6.077 . . . 1.0 . . . . . . . . . . . . B . 10 ALA H . . . . . . . . . rr_1pbz 1 . 12 . 1318 . 2 1 11 ALA HA H -2.085 14.335 -6.412 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 12 . 1319 . 2 1 11 ALA HB1 H -4.216 14.471 -7.850 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 12 . 1320 . 2 1 11 ALA HB2 H -4.895 13.086 -6.984 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1321 . 2 1 11 ALA HB3 H -3.459 12.869 -8.006 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1322 . 2 1 11 ALA N N -2.802 12.553 -5.487 . . . 1.0 . . . . . . . . . . . . B . 10 ALA N . . . . . . . . . rr_1pbz 1 . 12 . 1323 . 2 1 11 ALA O O -3.190 16.035 -4.917 . . . 1.0 . . . . . . . . . . . . B . 10 ALA O . . . . . . . . . rr_1pbz 1 . 12 . 1324 . 2 1 12 LYS C C -4.624 15.937 -2.261 . . . 1.0 . . . . . . . . . . . . B . 11 LYS C . . . . . . . . . rr_1pbz 1 . 12 . 1325 . 2 1 12 LYS CA C -5.525 15.451 -3.452 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 12 . 1326 . 2 1 12 LYS CB C -6.772 14.645 -2.994 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 12 . 1327 . 2 1 12 LYS CD C -8.682 14.397 -1.259 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 12 . 1328 . 2 1 12 LYS CE C -9.473 13.344 -2.068 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 12 . 1329 . 2 1 12 LYS CG C -7.811 15.364 -2.098 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 12 . 1330 . 2 1 12 LYS H H -4.972 13.535 -4.491 . . . 1.0 . . . . . . . . . . . . B . 11 LYS H . . . . . . . . . rr_1pbz 1 . 12 . 1331 . 2 1 12 LYS HA H -5.840 16.376 -3.975 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 12 . 1332 . 2 1 12 LYS HB2 H -7.308 14.272 -3.889 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1333 . 2 1 12 LYS HB3 H -6.401 13.738 -2.476 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1334 . 2 1 12 LYS HD2 H -8.018 13.901 -0.520 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 12 . 1335 . 2 1 12 LYS HD3 H -9.369 15.017 -0.646 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 12 . 1336 . 2 1 12 LYS HE2 H -10.121 13.857 -2.816 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 12 . 1337 . 2 1 12 LYS HE3 H -8.777 12.720 -2.677 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 12 . 1338 . 2 1 12 LYS HG2 H -7.287 16.050 -1.400 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 12 . 1339 . 2 1 12 LYS HG3 H -8.436 16.040 -2.716 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 12 . 1340 . 2 1 12 LYS HZ1 H -10.785 11.728 -1.572 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 12 . 1341 . 2 1 12 LYS HZ2 H -10.972 13.044 -0.599 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 12 . 1342 . 2 1 12 LYS HZ3 H -9.689 12.056 -0.403 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 12 . 1343 . 2 1 12 LYS N N -4.846 14.567 -4.461 . . . 1.0 . . . . . . . . . . . . B . 11 LYS N . . . . . . . . . rr_1pbz 1 . 12 . 1344 . 2 1 12 LYS NZ N -10.271 12.503 -1.125 . . . 1.0 . . . . . . . . . . . . B . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 12 . 1345 . 2 1 12 LYS O O -4.627 17.119 -1.901 . . . 1.0 . . . . . . . . . . . . B . 11 LYS O . . . . . . . . . rr_1pbz 1 . 12 . 1346 . 2 1 13 ALA C C -1.640 16.117 -1.389 . . . 1.0 . . . . . . . . . . . . B . 12 ALA C . . . . . . . . . rr_1pbz 1 . 12 . 1347 . 2 1 13 ALA CA C -2.780 15.275 -0.729 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 12 . 1348 . 2 1 13 ALA CB C -2.367 13.908 -0.167 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 12 . 1349 . 2 1 13 ALA H H -3.976 14.073 -2.105 . . . 1.0 . . . . . . . . . . . . B . 12 ALA H . . . . . . . . . rr_1pbz 1 . 12 . 1350 . 2 1 13 ALA HA H -3.189 15.864 0.110 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 12 . 1351 . 2 1 13 ALA HB1 H -1.577 14.023 0.597 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 12 . 1352 . 2 1 13 ALA HB2 H -1.972 13.224 -0.940 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1353 . 2 1 13 ALA HB3 H -3.213 13.413 0.338 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1354 . 2 1 13 ALA N N -3.874 14.994 -1.676 . . . 1.0 . . . . . . . . . . . . B . 12 ALA N . . . . . . . . . rr_1pbz 1 . 12 . 1355 . 2 1 13 ALA O O -1.625 17.312 -1.175 . . . 1.0 . . . . . . . . . . . . B . 12 ALA O . . . . . . . . . rr_1pbz 1 . 12 . 1356 . 2 1 14 ALA C C -0.064 17.851 -3.499 . . . 1.0 . . . . . . . . . . . . B . 13 ALA C . . . . . . . . . rr_1pbz 1 . 12 . 1357 . 2 1 14 ALA CA C 0.228 16.357 -3.065 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 12 . 1358 . 2 1 14 ALA CB C 0.484 15.413 -4.248 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 12 . 1359 . 2 1 14 ALA H H -0.827 14.572 -2.190 . . . 1.0 . . . . . . . . . . . . B . 13 ALA H . . . . . . . . . rr_1pbz 1 . 12 . 1360 . 2 1 14 ALA HA H 1.175 16.428 -2.504 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 12 . 1361 . 2 1 14 ALA HB1 H -0.439 15.276 -4.842 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 12 . 1362 . 2 1 14 ALA HB2 H 0.810 14.408 -3.912 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1363 . 2 1 14 ALA HB3 H 1.262 15.810 -4.917 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1364 . 2 1 14 ALA N N -0.747 15.583 -2.219 . . . 1.0 . . . . . . . . . . . . B . 13 ALA N . . . . . . . . . rr_1pbz 1 . 12 . 1365 . 2 1 14 ALA O O 0.854 18.673 -3.540 . . . 1.0 . . . . . . . . . . . . B . 13 ALA O . . . . . . . . . rr_1pbz 1 . 12 . 1366 . 2 1 15 GLU C C -2.107 20.270 -2.567 . . . 1.0 . . . . . . . . . . . . B . 14 GLU C . . . . . . . . . rr_1pbz 1 . 12 . 1367 . 2 1 15 GLU CA C -1.863 19.536 -3.960 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 12 . 1368 . 2 1 15 GLU CB C -3.166 19.348 -4.794 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 12 . 1369 . 2 1 15 GLU CD C -2.755 20.265 -7.221 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 12 . 1370 . 2 1 15 GLU CG C -3.013 19.070 -6.319 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 12 . 1371 . 2 1 15 GLU H H -1.975 17.370 -3.632 . . . 1.0 . . . . . . . . . . . . B . 14 GLU H . . . . . . . . . rr_1pbz 1 . 12 . 1372 . 2 1 15 GLU HA H -1.155 20.156 -4.546 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 12 . 1373 . 2 1 15 GLU HB2 H -3.759 18.525 -4.343 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1374 . 2 1 15 GLU HB3 H -3.796 20.241 -4.666 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1375 . 2 1 15 GLU HG2 H -2.216 18.331 -6.504 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 12 . 1376 . 2 1 15 GLU HG3 H -3.935 18.611 -6.706 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 12 . 1377 . 2 1 15 GLU N N -1.333 18.156 -3.800 . . . 1.0 . . . . . . . . . . . . B . 14 GLU N . . . . . . . . . rr_1pbz 1 . 12 . 1378 . 2 1 15 GLU O O -1.435 21.263 -2.277 . . . 1.0 . . . . . . . . . . . . B . 14 GLU O . . . . . . . . . rr_1pbz 1 . 12 . 1379 . 2 1 15 GLU OE1 O -3.698 21.049 -7.455 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 12 . 1380 . 2 1 15 GLU OE2 O -1.631 20.386 -7.748 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 12 . 1381 . 2 1 16 ALA C C -2.457 19.680 0.872 . . . 1.0 . . . . . . . . . . . . B . 15 ALA C . . . . . . . . . rr_1pbz 1 . 12 . 1382 . 2 1 16 ALA CA C -3.256 20.362 -0.316 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 12 . 1383 . 2 1 16 ALA CB C -4.784 20.385 -0.104 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 12 . 1384 . 2 1 16 ALA H H -3.546 18.985 -2.066 . . . 1.0 . . . . . . . . . . . . B . 15 ALA H . . . . . . . . . rr_1pbz 1 . 12 . 1385 . 2 1 16 ALA HA H -2.924 21.419 -0.306 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 12 . 1386 . 2 1 16 ALA HB1 H -5.218 19.368 -0.119 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 12 . 1387 . 2 1 16 ALA HB2 H -5.044 20.843 0.868 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1388 . 2 1 16 ALA HB3 H -5.295 20.978 -0.886 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1389 . 2 1 16 ALA N N -3.050 19.811 -1.701 . . . 1.0 . . . . . . . . . . . . B . 15 ALA N . . . . . . . . . rr_1pbz 1 . 12 . 1390 . 2 1 16 ALA O O -1.788 20.373 1.642 . . . 1.0 . . . . . . . . . . . . B . 15 ALA O . . . . . . . . . rr_1pbz 1 . 12 . 1391 . 2 1 17 GLY C C -0.284 17.322 1.430 . . . 1.0 . . . . . . . . . . . . B . 16 GLY C . . . . . . . . . rr_1pbz 1 . 12 . 1392 . 2 1 17 GLY CA C -1.723 17.528 1.963 . . . 1.0 . . . . . . . . . . . . B . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 12 . 1393 . 2 1 17 GLY H H -2.962 17.931 0.222 . . . 1.0 . . . . . . . . . . . . B . 16 GLY H . . . . . . . . . rr_1pbz 1 . 12 . 1394 . 2 1 17 GLY HA2 H -1.660 17.905 2.982 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 12 . 1395 . 2 1 17 GLY HA3 H -2.182 16.516 2.015 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 12 . 1396 . 2 1 17 GLY N N -2.612 18.358 1.085 . . . 1.0 . . . . . . . . . . . . B . 16 GLY N . . . . . . . . . rr_1pbz 1 . 12 . 1397 . 2 1 17 GLY O O 0.400 18.282 1.066 . . . 1.0 . . . . . . . . . . . . B . 16 GLY O . . . . . . . . . rr_1pbz 1 . 12 . 1398 . 2 1 18 CYS C C 1.542 14.196 0.220 . . . 1.0 . . . . . . . . . . . . B . 17 CYS C . . . . . . . . . rr_1pbz 1 . 12 . 1399 . 2 1 18 CYS CA C 1.414 15.719 0.602 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 12 . 1400 . 2 1 18 CYS CB C 2.652 16.252 1.384 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 12 . 1401 . 2 1 18 CYS H H -0.269 15.373 1.965 . . . 1.0 . . . . . . . . . . . . B . 17 CYS H . . . . . . . . . rr_1pbz 1 . 12 . 1402 . 2 1 18 CYS HA H 1.303 16.259 -0.378 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 12 . 1403 . 2 1 18 CYS HB2 H 3.553 15.642 1.216 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 12 . 1404 . 2 1 18 CYS HB3 H 2.867 17.272 1.023 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 12 . 1405 . 2 1 18 CYS N N 0.173 16.058 1.335 . . . 1.0 . . . . . . . . . . . . B . 17 CYS N . . . . . . . . . rr_1pbz 1 . 12 . 1406 . 2 1 18 CYS O O 0.980 13.264 0.788 . . . 1.0 . . . . . . . . . . . . B . 17 CYS O . . . . . . . . . rr_1pbz 1 . 12 . 1407 . 2 1 18 CYS SG S 2.353 16.402 3.164 . . . 1.0 . . . . . . . . . . . . B . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 12 . 1408 . 2 1 19 NH2 HN1 H 2.423 12.858 -0.907 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 12 . 1409 . 2 1 19 NH2 HN2 H 2.894 14.617 -1.185 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 12 . 1410 . 2 1 19 NH2 N N 2.314 13.868 -0.798 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 12 . 1411 . 3 2 1 PC3 C C -5.379 4.480 0.298 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C . . . . . . . . . rr_1pbz 1 . 12 . 1412 . 3 2 1 PC3 C1 C -4.699 3.362 -0.348 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C1 . . . . . . . . . rr_1pbz 1 . 12 . 1413 . 3 2 1 PC3 C10 C -5.240 9.634 2.277 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C10 . . . . . . . . . rr_1pbz 1 . 12 . 1414 . 3 2 1 PC3 C11 C 2.676 10.079 0.930 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C11 . . . . . . . . . rr_1pbz 1 . 12 . 1415 . 3 2 1 PC3 C12 C -0.032 0.921 -2.350 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C12 . . . . . . . . . rr_1pbz 1 . 12 . 1416 . 3 2 1 PC3 C14 C -6.713 4.400 1.084 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C14 . . . . . . . . . rr_1pbz 1 . 12 . 1417 . 3 2 1 PC3 C15 C -6.664 4.585 2.643 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C15 . . . . . . . . . rr_1pbz 1 . 12 . 1418 . 3 2 1 PC3 C16 C -2.395 11.328 2.177 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C16 . . . . . . . . . rr_1pbz 1 . 12 . 1419 . 3 2 1 PC3 C17 C -1.897 11.640 3.610 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C17 . . . . . . . . . rr_1pbz 1 . 12 . 1420 . 3 2 1 PC3 C18 C 4.208 7.394 -0.362 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C18 . . . . . . . . . rr_1pbz 1 . 12 . 1421 . 3 2 1 PC3 C19 C 4.140 7.839 -1.842 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C19 . . . . . . . . . rr_1pbz 1 . 12 . 1422 . 3 2 1 PC3 C2 C 0.149 2.253 -1.580 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2 . . . . . . . . . rr_1pbz 1 . 12 . 1423 . 3 2 1 PC3 C21 C -5.345 4.311 3.378 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C21 . . . . . . . . . rr_1pbz 1 . 12 . 1424 . 3 2 1 PC3 C22 C -0.838 2.043 -4.621 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C22 . . . . . . . . . rr_1pbz 1 . 12 . 1425 . 3 2 1 PC3 C23 C 3.023 7.161 -2.628 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C23 . . . . . . . . . rr_1pbz 1 . 12 . 1426 . 3 2 1 PC3 C24 C -1.285 13.039 3.829 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C24 . . . . . . . . . rr_1pbz 1 . 12 . 1427 . 3 2 1 PC3 C2A C -3.322 3.756 -0.441 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2A . . . . . . . . . rr_1pbz 1 . 12 . 1428 . 3 2 1 PC3 C2C C -4.322 5.454 0.454 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2C . . . . . . . . . rr_1pbz 1 . 12 . 1429 . 3 2 1 PC3 C3 C 1.425 2.902 -1.326 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C3 . . . . . . . . . rr_1pbz 1 . 12 . 1430 . 3 2 1 PC3 C4 C 2.823 7.504 0.240 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4 . . . . . . . . . rr_1pbz 1 . 12 . 1431 . 3 2 1 PC3 C4A C 1.078 4.174 -0.787 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4A . . . . . . . . . rr_1pbz 1 . 12 . 1432 . 3 2 1 PC3 C4C C -0.825 3.173 -1.057 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4C . . . . . . . . . rr_1pbz 1 . 12 . 1433 . 3 2 1 PC3 C5 C 2.135 8.690 0.672 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C5 . . . . . . . . . rr_1pbz 1 . 12 . 1434 . 3 2 1 PC3 C6 C -2.629 9.847 1.815 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6 . . . . . . . . . rr_1pbz 1 . 12 . 1435 . 3 2 1 PC3 C6A C 0.781 8.316 0.710 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6A . . . . . . . . . rr_1pbz 1 . 12 . 1436 . 3 2 1 PC3 C6C C 1.799 6.554 0.023 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6C . . . . . . . . . rr_1pbz 1 . 12 . 1437 . 3 2 1 PC3 C7 C -3.884 9.121 1.791 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C7 . . . . . . . . . rr_1pbz 1 . 12 . 1438 . 3 2 1 PC3 C8 C 2.815 2.378 -1.707 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8 . . . . . . . . . rr_1pbz 1 . 12 . 1439 . 3 2 1 PC3 C8A C -3.555 7.840 1.241 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8A . . . . . . . . . rr_1pbz 1 . 12 . 1440 . 3 2 1 PC3 C8C C -1.681 8.914 1.296 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8C . . . . . . . . . rr_1pbz 1 . 12 . 1441 . 3 2 1 PC3 C9 C -5.302 2.006 -0.716 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C9 . . . . . . . . . rr_1pbz 1 . 12 . 1442 . 3 2 1 PC3 CA C -2.256 2.924 -0.982 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CA . . . . . . . . . rr_1pbz 1 . 12 . 1443 . 3 2 1 PC3 CB C 2.035 5.209 -0.446 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CB . . . . . . . . . rr_1pbz 1 . 12 . 1444 . 3 2 1 PC3 CC C -0.269 9.192 1.148 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CC . . . . . . . . . rr_1pbz 1 . 12 . 1445 . 3 2 1 PC3 CD C -4.512 6.777 1.015 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CD . . . . . . . . . rr_1pbz 1 . 12 . 1446 . 3 2 1 PC3 CO3 Co -1.248 6.028 0.117 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CO3 . . . . . . . . . rr_1pbz 1 . 12 . 1447 . 3 2 1 PC3 CX5 C -0.957 0.906 -3.604 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CX5 . . . . . . . . . rr_1pbz 1 . 12 . 1448 . 3 2 1 PC3 H101 H -5.296 10.739 2.270 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H101 . . . . . . . . . rr_1pbz 1 . 12 . 1449 . 3 2 1 PC3 H102 H -6.085 9.262 1.671 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H102 . . . . . . . . . rr_1pbz 1 . 12 . 1450 . 3 2 1 PC3 H103 H -5.424 9.317 3.321 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H103 . . . . . . . . . rr_1pbz 1 . 12 . 1451 . 3 2 1 PC3 H111 H 2.050 10.648 1.645 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H111 . . . . . . . . . rr_1pbz 1 . 12 . 1452 . 3 2 1 PC3 H112 H 3.698 10.046 1.346 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H112 . . . . . . . . . rr_1pbz 1 . 12 . 1453 . 3 2 1 PC3 H113 H 2.725 10.669 -0.003 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H113 . . . . . . . . . rr_1pbz 1 . 12 . 1454 . 3 2 1 PC3 H121 H -0.358 0.132 -1.647 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H121 . . . . . . . . . rr_1pbz 1 . 12 . 1455 . 3 2 1 PC3 H122 H 0.961 0.576 -2.697 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H122 . . . . . . . . . rr_1pbz 1 . 12 . 1456 . 3 2 1 PC3 H141 H -7.173 3.412 0.896 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H141 . . . . . . . . . rr_1pbz 1 . 12 . 1457 . 3 2 1 PC3 H142 H -7.441 5.111 0.650 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H142 . . . . . . . . . rr_1pbz 1 . 12 . 1458 . 3 2 1 PC3 H151 H -6.963 5.617 2.900 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H151 . . . . . . . . . rr_1pbz 1 . 12 . 1459 . 3 2 1 PC3 H152 H -7.437 3.955 3.118 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H152 . . . . . . . . . rr_1pbz 1 . 12 . 1460 . 3 2 1 PC3 H161 H -1.665 11.760 1.466 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H161 . . . . . . . . . rr_1pbz 1 . 12 . 1461 . 3 2 1 PC3 H162 H -3.312 11.920 2.004 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H162 . . . . . . . . . rr_1pbz 1 . 12 . 1462 . 3 2 1 PC3 H171 H -1.130 10.911 3.921 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H171 . . . . . . . . . rr_1pbz 1 . 12 . 1463 . 3 2 1 PC3 H172 H -2.722 11.531 4.336 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H172 . . . . . . . . . rr_1pbz 1 . 12 . 1464 . 3 2 1 PC3 H181 H 4.936 8.010 0.198 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H181 . . . . . . . . . rr_1pbz 1 . 12 . 1465 . 3 2 1 PC3 H182 H 4.569 6.350 -0.303 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H182 . . . . . . . . . rr_1pbz 1 . 12 . 1466 . 3 2 1 PC3 H191 H 3.983 8.929 -1.913 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H191 . . . . . . . . . rr_1pbz 1 . 12 . 1467 . 3 2 1 PC3 H192 H 5.098 7.639 -2.356 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H192 . . . . . . . . . rr_1pbz 1 . 12 . 1468 . 3 2 1 PC3 H221 H -2.016 0.875 -3.303 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H221 . . . . . . . . . rr_1pbz 1 . 12 . 1469 . 3 2 1 PC3 H222 H -0.802 -0.038 -4.158 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H222 . . . . . . . . . rr_1pbz 1 . 12 . 1470 . 3 2 1 PC3 H81 H 2.991 2.502 -2.794 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H81 . . . . . . . . . rr_1pbz 1 . 12 . 1471 . 3 2 1 PC3 H82 H 2.927 1.301 -1.483 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H82 . . . . . . . . . rr_1pbz 1 . 12 . 1472 . 3 2 1 PC3 H83 H 3.640 2.901 -1.191 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H83 . . . . . . . . . rr_1pbz 1 . 12 . 1473 . 3 2 1 PC3 H91 H -6.407 2.038 -0.760 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H91 . . . . . . . . . rr_1pbz 1 . 12 . 1474 . 3 2 1 PC3 H92 H -4.966 1.661 -1.712 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H92 . . . . . . . . . rr_1pbz 1 . 12 . 1475 . 3 2 1 PC3 H93 H -5.030 1.228 0.022 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H93 . . . . . . . . . rr_1pbz 1 . 12 . 1476 . 3 2 1 PC3 HA H -2.569 1.956 -1.354 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HA . . . . . . . . . rr_1pbz 1 . 12 . 1477 . 3 2 1 PC3 HB H 3.076 4.966 -0.626 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HB . . . . . . . . . rr_1pbz 1 . 12 . 1478 . 3 2 1 PC3 HC H 0.053 10.182 1.452 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HC . . . . . . . . . rr_1pbz 1 . 12 . 1479 . 3 2 1 PC3 HD H -5.529 6.990 1.324 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HD . . . . . . . . . rr_1pbz 1 . 12 . 1480 . 3 2 1 PC3 N2B N -3.068 5.023 0.039 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N2B . . . . . . . . . rr_1pbz 1 . 12 . 1481 . 3 2 1 PC3 N4B N -0.278 4.363 -0.612 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N4B . . . . . . . . . rr_1pbz 1 . 12 . 1482 . 3 2 1 PC3 N6B N 0.539 7.026 0.291 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N6B . . . . . . . . . rr_1pbz 1 . 12 . 1483 . 3 2 1 PC3 N8B N -2.217 7.689 0.932 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N8B . . . . . . . . . rr_1pbz 1 . 12 . 1484 . 3 2 1 PC3 O1 O -4.911 3.145 3.438 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O1 . . . . . . . . . rr_1pbz 1 . 12 . 1485 . 3 2 1 PC3 O2 O -4.612 5.287 3.658 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O2 . . . . . . . . . rr_1pbz 1 . 12 . 1486 . 3 2 1 PC3 O22 O -0.479 1.810 -5.787 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O22 . . . . . . . . . rr_1pbz 1 . 12 . 1487 . 3 2 1 PC3 O23 O 1.839 7.557 -2.446 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O23 . . . . . . . . . rr_1pbz 1 . 12 . 1488 . 3 2 1 PC3 O3 O -1.214 3.175 -4.235 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O3 . . . . . . . . . rr_1pbz 1 . 12 . 1489 . 3 2 1 PC3 O4 O 3.267 6.137 -3.284 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O4 . . . . . . . . . rr_1pbz 1 . 12 . 1490 . 3 2 1 PC3 O5 O -1.605 13.995 3.091 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O5 . . . . . . . . . rr_1pbz 1 . 12 . 1491 . 3 2 1 PC3 O6 O -0.437 13.144 4.734 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O6 . . . . . . . . . rr_1pbz 1 . 13 . 1492 . 1 1 2 CYS C C -2.882 -2.173 0.925 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . rr_1pbz 1 . 13 . 1493 . 1 1 2 CYS CA C -2.462 -2.488 -0.560 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 13 . 1494 . 1 1 2 CYS CB C -3.663 -2.741 -1.505 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 13 . 1495 . 1 1 2 CYS H H -1.785 -4.629 -0.987 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H . . . . . . . . . rr_1pbz 1 . 13 . 1496 . 1 1 2 CYS HA H -2.004 -1.506 -0.882 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 13 . 1497 . 1 1 2 CYS HB2 H -3.348 -2.747 -2.567 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1498 . 1 1 2 CYS HB3 H -4.160 -3.711 -1.318 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1499 . 1 1 2 CYS N N -1.519 -3.646 -0.784 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . rr_1pbz 1 . 13 . 1500 . 1 1 2 CYS O O -3.262 -1.025 1.176 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . rr_1pbz 1 . 13 . 1501 . 1 1 2 CYS SG S -4.899 -1.437 -1.298 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 13 . 1502 . 1 1 3 GLY C C -1.979 -2.537 4.266 . . . 1.0 . . . . . . . . . . . . A . 2 GLY C . . . . . . . . . rr_1pbz 1 . 13 . 1503 . 1 1 3 GLY CA C -3.170 -2.804 3.319 . . . 1.0 . . . . . . . . . . . . A . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 13 . 1504 . 1 1 3 GLY H H -2.289 -3.949 1.647 . . . 1.0 . . . . . . . . . . . . A . 2 GLY H . . . . . . . . . rr_1pbz 1 . 13 . 1505 . 1 1 3 GLY HA2 H -3.856 -1.932 3.376 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 13 . 1506 . 1 1 3 GLY HA3 H -3.781 -3.632 3.720 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 13 . 1507 . 1 1 3 GLY N N -2.802 -3.101 1.905 . . . 1.0 . . . . . . . . . . . . A . 2 GLY N . . . . . . . . . rr_1pbz 1 . 13 . 1508 . 1 1 3 GLY O O -1.792 -1.402 4.697 . . . 1.0 . . . . . . . . . . . . A . 2 GLY O . . . . . . . . . rr_1pbz 1 . 13 . 1509 . 1 1 4 ALA C C 1.294 -2.883 5.010 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . rr_1pbz 1 . 13 . 1510 . 1 1 4 ALA CA C -0.058 -3.404 5.591 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 13 . 1511 . 1 1 4 ALA CB C 0.087 -4.753 6.279 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 13 . 1512 . 1 1 4 ALA H H -1.374 -4.475 4.208 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . rr_1pbz 1 . 13 . 1513 . 1 1 4 ALA HA H -0.351 -2.675 6.375 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 13 . 1514 . 1 1 4 ALA HB1 H 0.866 -4.687 7.058 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 13 . 1515 . 1 1 4 ALA HB2 H 0.382 -5.537 5.559 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1516 . 1 1 4 ALA HB3 H -0.858 -5.047 6.771 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1517 . 1 1 4 ALA N N -1.194 -3.567 4.641 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . rr_1pbz 1 . 13 . 1518 . 1 1 4 ALA O O 1.964 -2.094 5.678 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . rr_1pbz 1 . 13 . 1519 . 1 1 5 GLU C C 2.599 -1.109 2.782 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . rr_1pbz 1 . 13 . 1520 . 1 1 5 GLU CA C 2.850 -2.637 3.087 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 13 . 1521 . 1 1 5 GLU CB C 3.131 -3.429 1.804 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 13 . 1522 . 1 1 5 GLU CD C 5.363 -4.606 2.323 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 13 . 1523 . 1 1 5 GLU CG C 3.909 -4.770 1.937 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 13 . 1524 . 1 1 5 GLU H H 1.241 -4.105 3.396 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . rr_1pbz 1 . 13 . 1525 . 1 1 5 GLU HA H 3.754 -2.706 3.698 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 13 . 1526 . 1 1 5 GLU HB2 H 2.160 -3.575 1.306 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1527 . 1 1 5 GLU HB3 H 3.707 -2.755 1.147 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1528 . 1 1 5 GLU HG2 H 3.437 -5.444 2.671 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 13 . 1529 . 1 1 5 GLU HG3 H 3.904 -5.311 0.977 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 13 . 1530 . 1 1 5 GLU N N 1.724 -3.304 3.809 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . rr_1pbz 1 . 13 . 1531 . 1 1 5 GLU O O 3.466 -0.261 3.022 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . rr_1pbz 1 . 13 . 1532 . 1 1 5 GLU OE1 O 6.162 -4.178 1.465 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 13 . 1533 . 1 1 5 GLU OE2 O 5.705 -4.798 3.505 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 13 . 1534 . 1 1 6 ALA C C 0.826 1.340 3.577 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . rr_1pbz 1 . 13 . 1535 . 1 1 6 ALA CA C 0.864 0.597 2.212 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 13 . 1536 . 1 1 6 ALA CB C -0.558 0.446 1.661 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 13 . 1537 . 1 1 6 ALA H H 0.807 -1.650 2.195 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . rr_1pbz 1 . 13 . 1538 . 1 1 6 ALA HA H 1.470 1.246 1.527 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 13 . 1539 . 1 1 6 ALA HB1 H -0.564 -0.074 0.688 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 13 . 1540 . 1 1 6 ALA HB2 H -1.053 1.416 1.539 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1541 . 1 1 6 ALA HB3 H -1.189 -0.145 2.357 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1542 . 1 1 6 ALA N N 1.382 -0.796 2.302 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . rr_1pbz 1 . 13 . 1543 . 1 1 6 ALA O O 1.287 2.475 3.629 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . rr_1pbz 1 . 13 . 1544 . 1 1 7 ALA C C 1.922 1.538 6.524 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_1pbz 1 . 13 . 1545 . 1 1 7 ALA CA C 0.446 1.315 6.034 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 13 . 1546 . 1 1 7 ALA CB C -0.166 0.274 6.945 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 13 . 1547 . 1 1 7 ALA H H -0.072 -0.208 4.517 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_1pbz 1 . 13 . 1548 . 1 1 7 ALA HA H -0.165 2.256 6.141 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 13 . 1549 . 1 1 7 ALA HB1 H -1.206 0.061 6.662 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 13 . 1550 . 1 1 7 ALA HB2 H 0.427 -0.656 6.892 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1551 . 1 1 7 ALA HB3 H -0.119 0.632 7.985 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1552 . 1 1 7 ALA N N 0.286 0.756 4.665 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_1pbz 1 . 13 . 1553 . 1 1 7 ALA O O 2.165 2.559 7.164 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_1pbz 1 . 13 . 1554 . 1 1 8 LYS C C 4.890 2.144 5.738 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1pbz 1 . 13 . 1555 . 1 1 8 LYS CA C 4.340 0.866 6.466 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 13 . 1556 . 1 1 8 LYS CB C 5.034 -0.479 6.095 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 13 . 1557 . 1 1 8 LYS CD C 6.999 -0.456 4.414 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 13 . 1558 . 1 1 8 LYS CE C 6.740 -1.782 3.660 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 13 . 1559 . 1 1 8 LYS CG C 6.578 -0.506 5.906 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 13 . 1560 . 1 1 8 LYS H H 2.547 -0.247 5.748 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1pbz 1 . 13 . 1561 . 1 1 8 LYS HA H 4.496 1.072 7.549 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 13 . 1562 . 1 1 8 LYS HB2 H 4.752 -1.218 6.867 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1563 . 1 1 8 LYS HB3 H 4.561 -0.881 5.177 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1564 . 1 1 8 LYS HD2 H 6.476 0.394 3.928 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 13 . 1565 . 1 1 8 LYS HD3 H 8.072 -0.193 4.337 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 13 . 1566 . 1 1 8 LYS HE2 H 7.598 -2.484 3.770 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 13 . 1567 . 1 1 8 LYS HE3 H 5.917 -2.362 4.136 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 13 . 1568 . 1 1 8 LYS HG2 H 7.040 0.340 6.458 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 13 . 1569 . 1 1 8 LYS HG3 H 7.004 -1.410 6.387 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 13 . 1570 . 1 1 8 LYS HZ1 H 7.138 -1.100 1.667 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 13 . 1571 . 1 1 8 LYS HZ2 H 6.239 -2.482 1.766 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 13 . 1572 . 1 1 8 LYS HZ3 H 5.540 -1.018 2.074 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 13 . 1573 . 1 1 8 LYS N N 2.877 0.613 6.247 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1pbz 1 . 13 . 1574 . 1 1 8 LYS NZ N 6.411 -1.553 2.226 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 13 . 1575 . 1 1 8 LYS O O 5.582 2.958 6.353 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1pbz 1 . 13 . 1576 . 1 1 9 ALA C C 4.029 4.858 4.310 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_1pbz 1 . 13 . 1577 . 1 1 9 ALA CA C 4.782 3.604 3.727 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 13 . 1578 . 1 1 9 ALA CB C 4.295 3.346 2.316 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 13 . 1579 . 1 1 9 ALA H H 4.144 1.487 4.024 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_1pbz 1 . 13 . 1580 . 1 1 9 ALA HA H 5.863 3.808 3.617 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 13 . 1581 . 1 1 9 ALA HB1 H 3.219 3.107 2.301 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 13 . 1582 . 1 1 9 ALA HB2 H 4.454 4.246 1.701 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1583 . 1 1 9 ALA HB3 H 4.839 2.504 1.861 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1584 . 1 1 9 ALA N N 4.566 2.325 4.451 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_1pbz 1 . 13 . 1585 . 1 1 9 ALA O O 4.630 5.925 4.461 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_1pbz 1 . 13 . 1586 . 1 1 10 HIS C C 2.553 6.204 6.751 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_1pbz 1 . 13 . 1587 . 1 1 10 HIS CA C 1.937 5.764 5.367 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 13 . 1588 . 1 1 10 HIS CB C 0.471 5.237 5.335 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 13 . 1589 . 1 1 10 HIS CD2 C -0.024 5.550 2.746 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 13 . 1590 . 1 1 10 HIS CE1 C -1.585 4.040 2.501 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 13 . 1591 . 1 1 10 HIS CG C -0.278 4.990 3.992 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 13 . 1592 . 1 1 10 HIS H H 2.325 3.775 4.460 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_1pbz 1 . 13 . 1593 . 1 1 10 HIS HA H 1.990 6.720 4.822 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 13 . 1594 . 1 1 10 HIS HB2 H 0.492 4.283 5.891 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1595 . 1 1 10 HIS HB3 H -0.142 5.908 5.950 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1596 . 1 1 10 HIS HD1 H -1.468 3.244 4.554 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 13 . 1597 . 1 1 10 HIS HD2 H 0.713 6.292 2.484 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 13 . 1598 . 1 1 10 HIS HE1 H -2.318 3.361 2.066 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 13 . 1599 . 1 1 10 HIS N N 2.724 4.726 4.636 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_1pbz 1 . 13 . 1600 . 1 1 10 HIS ND1 N -1.250 3.982 3.872 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 13 . 1601 . 1 1 10 HIS NE2 N -0.878 5.001 1.864 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 13 . 1602 . 1 1 10 HIS O O 2.785 7.405 6.924 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_1pbz 1 . 13 . 1603 . 1 1 11 ALA C C 5.130 6.197 8.524 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_1pbz 1 . 13 . 1604 . 1 1 11 ALA CA C 3.738 5.564 8.851 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 13 . 1605 . 1 1 11 ALA CB C 3.890 4.179 9.521 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 13 . 1606 . 1 1 11 ALA H H 2.181 4.550 7.881 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_1pbz 1 . 13 . 1607 . 1 1 11 ALA HA H 3.222 6.265 9.530 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 13 . 1608 . 1 1 11 ALA HB1 H 4.383 3.448 8.845 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 13 . 1609 . 1 1 11 ALA HB2 H 2.923 3.734 9.818 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1610 . 1 1 11 ALA HB3 H 4.522 4.235 10.425 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1611 . 1 1 11 ALA N N 2.875 5.281 7.682 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_1pbz 1 . 13 . 1612 . 1 1 11 ALA O O 5.437 7.249 9.077 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_1pbz 1 . 13 . 1613 . 1 1 12 LYS C C 7.168 7.792 6.801 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_1pbz 1 . 13 . 1614 . 1 1 12 LYS CA C 7.233 6.259 7.168 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 13 . 1615 . 1 1 12 LYS CB C 7.849 5.366 6.051 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 13 . 1616 . 1 1 12 LYS CD C 10.394 5.561 6.582 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 13 . 1617 . 1 1 12 LYS CE C 11.382 6.739 6.706 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 13 . 1618 . 1 1 12 LYS CG C 9.258 5.768 5.546 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 13 . 1619 . 1 1 12 LYS H H 5.389 4.950 7.018 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_1pbz 1 . 13 . 1620 . 1 1 12 LYS HA H 7.907 6.198 8.045 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 13 . 1621 . 1 1 12 LYS HB2 H 7.878 4.313 6.398 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1622 . 1 1 12 LYS HB3 H 7.155 5.354 5.189 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1623 . 1 1 12 LYS HD2 H 9.997 5.300 7.588 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 13 . 1624 . 1 1 12 LYS HD3 H 10.958 4.650 6.300 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 13 . 1625 . 1 1 12 LYS HE2 H 12.319 6.380 7.189 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 13 . 1626 . 1 1 12 LYS HE3 H 11.695 7.115 5.707 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 13 . 1627 . 1 1 12 LYS HG2 H 9.493 5.181 4.635 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 13 . 1628 . 1 1 12 LYS HG3 H 9.227 6.814 5.178 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 13 . 1629 . 1 1 12 LYS HZ1 H 9.848 8.164 7.272 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 13 . 1630 . 1 1 12 LYS HZ2 H 11.363 8.633 7.780 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 13 . 1631 . 1 1 12 LYS HZ3 H 10.591 7.477 8.522 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 13 . 1632 . 1 1 12 LYS N N 5.925 5.636 7.584 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_1pbz 1 . 13 . 1633 . 1 1 12 LYS NZ N 10.783 7.818 7.541 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 13 . 1634 . 1 1 12 LYS O O 7.978 8.608 7.272 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_1pbz 1 . 13 . 1635 . 1 1 13 ALA C C 5.360 10.316 7.045 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . rr_1pbz 1 . 13 . 1636 . 1 1 13 ALA CA C 5.775 9.551 5.732 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 13 . 1637 . 1 1 13 ALA CB C 4.704 9.475 4.619 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 13 . 1638 . 1 1 13 ALA H H 5.574 7.358 5.699 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . rr_1pbz 1 . 13 . 1639 . 1 1 13 ALA HA H 6.670 10.066 5.332 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 13 . 1640 . 1 1 13 ALA HB1 H 3.839 8.852 4.913 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 13 . 1641 . 1 1 13 ALA HB2 H 4.302 10.473 4.368 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1642 . 1 1 13 ALA HB3 H 5.117 9.051 3.684 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1643 . 1 1 13 ALA N N 6.163 8.151 5.984 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . rr_1pbz 1 . 13 . 1644 . 1 1 13 ALA O O 6.179 11.076 7.569 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . rr_1pbz 1 . 13 . 1645 . 1 1 14 ALA C C 4.811 10.506 10.197 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_1pbz 1 . 13 . 1646 . 1 1 14 ALA CA C 3.786 10.575 8.996 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 13 . 1647 . 1 1 14 ALA CB C 2.536 9.728 9.318 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 13 . 1648 . 1 1 14 ALA H H 3.613 9.369 7.177 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_1pbz 1 . 13 . 1649 . 1 1 14 ALA HA H 3.477 11.634 8.920 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 13 . 1650 . 1 1 14 ALA HB1 H 1.743 9.819 8.553 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 13 . 1651 . 1 1 14 ALA HB2 H 2.089 10.021 10.285 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1652 . 1 1 14 ALA HB3 H 2.790 8.652 9.402 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1653 . 1 1 14 ALA N N 4.169 10.092 7.630 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_1pbz 1 . 13 . 1654 . 1 1 14 ALA O O 4.602 11.150 11.226 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_1pbz 1 . 13 . 1655 . 1 1 15 GLU C C 8.032 10.935 10.645 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . rr_1pbz 1 . 13 . 1656 . 1 1 15 GLU CA C 7.080 9.741 10.959 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 13 . 1657 . 1 1 15 GLU CB C 7.692 8.314 10.892 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 13 . 1658 . 1 1 15 GLU CD C 10.198 7.814 10.554 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 13 . 1659 . 1 1 15 GLU CG C 9.086 8.074 11.551 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 13 . 1660 . 1 1 15 GLU H H 5.978 9.495 9.005 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . rr_1pbz 1 . 13 . 1661 . 1 1 15 GLU HA H 6.729 9.888 12.000 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 13 . 1662 . 1 1 15 GLU HB2 H 6.956 7.626 11.349 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1663 . 1 1 15 GLU HB3 H 7.730 7.986 9.836 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1664 . 1 1 15 GLU HG2 H 9.394 8.916 12.196 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 13 . 1665 . 1 1 15 GLU HG3 H 9.053 7.193 12.213 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 13 . 1666 . 1 1 15 GLU N N 5.909 9.760 10.024 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . rr_1pbz 1 . 13 . 1667 . 1 1 15 GLU O O 8.192 11.832 11.477 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . rr_1pbz 1 . 13 . 1668 . 1 1 15 GLU OE1 O 10.227 6.711 9.968 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 13 . 1669 . 1 1 15 GLU OE2 O 10.989 8.722 10.238 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 13 . 1670 . 1 1 16 ALA C C 8.282 13.135 8.146 . . . 1.0 . . . . . . . . . . . . A . 15 ALA C . . . . . . . . . rr_1pbz 1 . 13 . 1671 . 1 1 16 ALA CA C 9.287 12.223 8.942 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 13 . 1672 . 1 1 16 ALA CB C 10.382 11.656 8.047 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 13 . 1673 . 1 1 16 ALA H H 8.394 10.181 8.821 . . . 1.0 . . . . . . . . . . . . A . 15 ALA H . . . . . . . . . rr_1pbz 1 . 13 . 1674 . 1 1 16 ALA HA H 9.767 12.798 9.764 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 13 . 1675 . 1 1 16 ALA HB1 H 11.053 11.000 8.627 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 13 . 1676 . 1 1 16 ALA HB2 H 9.938 11.094 7.202 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1677 . 1 1 16 ALA HB3 H 10.967 12.491 7.628 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1678 . 1 1 16 ALA N N 8.603 10.993 9.428 . . . 1.0 . . . . . . . . . . . . A . 15 ALA N . . . . . . . . . rr_1pbz 1 . 13 . 1679 . 1 1 16 ALA O O 8.578 13.593 7.040 . . . 1.0 . . . . . . . . . . . . A . 15 ALA O . . . . . . . . . rr_1pbz 1 . 13 . 1680 . 1 1 17 GLY C C 5.873 14.483 6.710 . . . 1.0 . . . . . . . . . . . . A . 16 GLY C . . . . . . . . . rr_1pbz 1 . 13 . 1681 . 1 1 17 GLY CA C 5.890 14.050 8.199 . . . 1.0 . . . . . . . . . . . . A . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 13 . 1682 . 1 1 17 GLY H H 7.075 12.517 9.159 . . . 1.0 . . . . . . . . . . . . A . 16 GLY H . . . . . . . . . rr_1pbz 1 . 13 . 1683 . 1 1 17 GLY HA2 H 5.051 13.344 8.410 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 13 . 1684 . 1 1 17 GLY HA3 H 5.575 14.930 8.783 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 13 . 1685 . 1 1 17 GLY N N 7.162 13.493 8.808 . . . 1.0 . . . . . . . . . . . . A . 16 GLY N . . . . . . . . . rr_1pbz 1 . 13 . 1686 . 1 1 17 GLY O O 5.912 15.615 6.235 . . . 1.0 . . . . . . . . . . . . A . 16 GLY O . . . . . . . . . rr_1pbz 1 . 13 . 1687 . 1 1 18 CYS C C 7.467 13.378 4.173 . . . 1.0 . . . . . . . . . . . . A . 17 CYS C . . . . . . . . . rr_1pbz 1 . 13 . 1688 . 1 1 18 CYS CA C 6.040 13.028 4.640 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 13 . 1689 . 1 1 18 CYS CB C 4.963 13.600 3.707 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 13 . 1690 . 1 1 18 CYS H H 6.015 12.649 6.831 . . . 1.0 . . . . . . . . . . . . A . 17 CYS H . . . . . . . . . rr_1pbz 1 . 13 . 1691 . 1 1 18 CYS HA H 5.980 11.903 4.615 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 13 . 1692 . 1 1 18 CYS HB2 H 3.954 13.294 4.038 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1693 . 1 1 18 CYS HB3 H 4.976 14.706 3.695 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1694 . 1 1 18 CYS N N 5.820 13.326 6.064 . . . 1.0 . . . . . . . . . . . . A . 17 CYS N . . . . . . . . . rr_1pbz 1 . 13 . 1695 . 1 1 18 CYS O O 8.151 12.609 3.491 . . . 1.0 . . . . . . . . . . . . A . 17 CYS O . . . . . . . . . rr_1pbz 1 . 13 . 1696 . 1 1 18 CYS SG S 5.266 12.955 2.047 . . . 1.0 . . . . . . . . . . . . A . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 13 . 1697 . 1 1 19 NH2 HN1 H 7.264 15.144 5.160 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 13 . 1698 . 1 1 19 NH2 HN2 H 8.829 14.876 4.360 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 13 . 1699 . 1 1 19 NH2 N N 7.884 14.552 4.595 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 13 . 1700 . 2 1 2 CYS C C -7.274 -0.580 -5.715 . . . 1.0 . . . . . . . . . . . . B . 1 CYS C . . . . . . . . . rr_1pbz 1 . 13 . 1701 . 2 1 2 CYS CA C -8.097 -0.996 -4.434 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 13 . 1702 . 2 1 2 CYS CB C -7.142 -1.752 -3.464 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 13 . 1703 . 2 1 2 CYS H H -8.012 0.313 -2.564 . . . 1.0 . . . . . . . . . . . . B . 1 CYS H . . . . . . . . . rr_1pbz 1 . 13 . 1704 . 2 1 2 CYS HA H -8.945 -1.623 -4.821 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 13 . 1705 . 2 1 2 CYS HB2 H -7.637 -2.043 -2.513 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1706 . 2 1 2 CYS HB3 H -6.834 -2.711 -3.917 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1707 . 2 1 2 CYS N N -8.493 0.097 -3.474 . . . 1.0 . . . . . . . . . . . . B . 1 CYS N . . . . . . . . . rr_1pbz 1 . 13 . 1708 . 2 1 2 CYS O O -7.187 -1.386 -6.646 . . . 1.0 . . . . . . . . . . . . B . 1 CYS O . . . . . . . . . rr_1pbz 1 . 13 . 1709 . 2 1 2 CYS SG S -5.632 -0.832 -3.064 . . . 1.0 . . . . . . . . . . . . B . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 13 . 1710 . 2 1 3 GLY C C -6.309 2.515 -7.513 . . . 1.0 . . . . . . . . . . . . B . 2 GLY C . . . . . . . . . rr_1pbz 1 . 13 . 1711 . 2 1 3 GLY CA C -5.940 1.105 -7.001 . . . 1.0 . . . . . . . . . . . . B . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 13 . 1712 . 2 1 3 GLY H H -6.891 1.244 -4.999 . . . 1.0 . . . . . . . . . . . . B . 2 GLY H . . . . . . . . . rr_1pbz 1 . 13 . 1713 . 2 1 3 GLY HA2 H -4.867 1.110 -6.731 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 13 . 1714 . 2 1 3 GLY HA3 H -6.008 0.398 -7.848 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 13 . 1715 . 2 1 3 GLY N N -6.708 0.643 -5.811 . . . 1.0 . . . . . . . . . . . . B . 2 GLY N . . . . . . . . . rr_1pbz 1 . 13 . 1716 . 2 1 3 GLY O O -5.452 3.397 -7.556 . . . 1.0 . . . . . . . . . . . . B . 2 GLY O . . . . . . . . . rr_1pbz 1 . 13 . 1717 . 2 1 4 ALA C C -8.419 5.080 -7.261 . . . 1.0 . . . . . . . . . . . . B . 3 ALA C . . . . . . . . . rr_1pbz 1 . 13 . 1718 . 2 1 4 ALA CA C -8.051 4.060 -8.384 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 13 . 1719 . 2 1 4 ALA CB C -9.221 3.752 -9.315 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 13 . 1720 . 2 1 4 ALA H H -8.223 1.964 -7.757 . . . 1.0 . . . . . . . . . . . . B . 3 ALA H . . . . . . . . . rr_1pbz 1 . 13 . 1721 . 2 1 4 ALA HA H -7.251 4.558 -8.984 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 13 . 1722 . 2 1 4 ALA HB1 H -10.047 3.256 -8.771 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 13 . 1723 . 2 1 4 ALA HB2 H -8.907 3.100 -10.150 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1724 . 2 1 4 ALA HB3 H -9.616 4.688 -9.746 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1725 . 2 1 4 ALA N N -7.565 2.729 -7.931 . . . 1.0 . . . . . . . . . . . . B . 3 ALA N . . . . . . . . . rr_1pbz 1 . 13 . 1726 . 2 1 4 ALA O O -8.007 6.236 -7.387 . . . 1.0 . . . . . . . . . . . . B . 3 ALA O . . . . . . . . . rr_1pbz 1 . 13 . 1727 . 2 1 5 GLU C C -7.893 5.871 -4.243 . . . 1.0 . . . . . . . . . . . . B . 4 GLU C . . . . . . . . . rr_1pbz 1 . 13 . 1728 . 2 1 5 GLU CA C -9.259 5.600 -4.981 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 13 . 1729 . 2 1 5 GLU CB C -10.467 5.177 -4.128 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 13 . 1730 . 2 1 5 GLU CD C -12.105 7.029 -5.182 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 13 . 1731 . 2 1 5 GLU CG C -11.871 5.586 -4.704 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 13 . 1732 . 2 1 5 GLU H H -9.677 3.841 -6.231 . . . 1.0 . . . . . . . . . . . . B . 4 GLU H . . . . . . . . . rr_1pbz 1 . 13 . 1733 . 2 1 5 GLU HA H -9.523 6.592 -5.347 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 13 . 1734 . 2 1 5 GLU HB2 H -10.409 4.086 -3.943 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1735 . 2 1 5 GLU HB3 H -10.342 5.643 -3.136 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1736 . 2 1 5 GLU HG2 H -12.124 4.941 -5.561 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 13 . 1737 . 2 1 5 GLU HG3 H -12.652 5.386 -3.952 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 13 . 1738 . 2 1 5 GLU N N -9.138 4.709 -6.178 . . . 1.0 . . . . . . . . . . . . B . 4 GLU N . . . . . . . . . rr_1pbz 1 . 13 . 1739 . 2 1 5 GLU O O -7.669 6.959 -3.702 . . . 1.0 . . . . . . . . . . . . B . 4 GLU O . . . . . . . . . rr_1pbz 1 . 13 . 1740 . 2 1 5 GLU OE1 O -12.372 7.920 -4.351 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 13 . 1741 . 2 1 5 GLU OE2 O -12.039 7.278 -6.406 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 13 . 1742 . 2 1 6 ALA C C -4.924 6.286 -4.942 . . . 1.0 . . . . . . . . . . . . B . 5 ALA C . . . . . . . . . rr_1pbz 1 . 13 . 1743 . 2 1 6 ALA CA C -5.509 5.223 -3.961 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 13 . 1744 . 2 1 6 ALA CB C -4.644 3.976 -4.186 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 13 . 1745 . 2 1 6 ALA H H -7.306 4.084 -4.757 . . . 1.0 . . . . . . . . . . . . B . 5 ALA H . . . . . . . . . rr_1pbz 1 . 13 . 1746 . 2 1 6 ALA HA H -5.370 5.616 -2.919 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 13 . 1747 . 2 1 6 ALA HB1 H -4.940 3.143 -3.544 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 13 . 1748 . 2 1 6 ALA HB2 H -3.576 4.220 -4.043 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1749 . 2 1 6 ALA HB3 H -4.713 3.645 -5.241 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1750 . 2 1 6 ALA N N -6.935 4.922 -4.283 . . . 1.0 . . . . . . . . . . . . B . 5 ALA N . . . . . . . . . rr_1pbz 1 . 13 . 1751 . 2 1 6 ALA O O -4.343 7.254 -4.461 . . . 1.0 . . . . . . . . . . . . B . 5 ALA O . . . . . . . . . rr_1pbz 1 . 13 . 1752 . 2 1 7 ALA C C -5.030 8.561 -7.078 . . . 1.0 . . . . . . . . . . . . B . 6 ALA C . . . . . . . . . rr_1pbz 1 . 13 . 1753 . 2 1 7 ALA CA C -4.499 7.069 -7.252 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 13 . 1754 . 2 1 7 ALA CB C -4.878 6.513 -8.618 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 13 . 1755 . 2 1 7 ALA H H -5.607 5.302 -6.603 . . . 1.0 . . . . . . . . . . . . B . 6 ALA H . . . . . . . . . rr_1pbz 1 . 13 . 1756 . 2 1 7 ALA HA H -3.404 6.920 -7.125 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 13 . 1757 . 2 1 7 ALA HB1 H -5.975 6.525 -8.752 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 13 . 1758 . 2 1 7 ALA HB2 H -4.523 5.478 -8.745 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1759 . 2 1 7 ALA HB3 H -4.442 7.145 -9.407 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1760 . 2 1 7 ALA N N -5.044 6.109 -6.279 . . . 1.0 . . . . . . . . . . . . B . 6 ALA N . . . . . . . . . rr_1pbz 1 . 13 . 1761 . 2 1 7 ALA O O -4.265 9.521 -7.006 . . . 1.0 . . . . . . . . . . . . B . 6 ALA O . . . . . . . . . rr_1pbz 1 . 13 . 1762 . 2 1 8 LYS C C -6.636 10.528 -5.185 . . . 1.0 . . . . . . . . . . . . B . 7 LYS C . . . . . . . . . rr_1pbz 1 . 13 . 1763 . 2 1 8 LYS CA C -7.133 9.900 -6.536 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 13 . 1764 . 2 1 8 LYS CB C -8.584 9.326 -6.445 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 13 . 1765 . 2 1 8 LYS CD C -10.707 10.749 -6.925 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 13 . 1766 . 2 1 8 LYS CE C -12.157 10.735 -6.404 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 13 . 1767 . 2 1 8 LYS CG C -9.741 10.176 -5.865 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 13 . 1768 . 2 1 8 LYS H H -6.849 7.807 -7.192 . . . 1.0 . . . . . . . . . . . . B . 7 LYS H . . . . . . . . . rr_1pbz 1 . 13 . 1769 . 2 1 8 LYS HA H -7.061 10.692 -7.314 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 13 . 1770 . 2 1 8 LYS HB2 H -8.886 8.877 -7.413 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1771 . 2 1 8 LYS HB3 H -8.536 8.444 -5.778 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1772 . 2 1 8 LYS HD2 H -10.368 11.764 -7.213 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 13 . 1773 . 2 1 8 LYS HD3 H -10.651 10.139 -7.850 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 13 . 1774 . 2 1 8 LYS HE2 H -12.435 9.692 -6.108 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 13 . 1775 . 2 1 8 LYS HE3 H -12.243 11.312 -5.455 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 13 . 1776 . 2 1 8 LYS HG2 H -10.300 9.495 -5.183 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 13 . 1777 . 2 1 8 LYS HG3 H -9.372 10.968 -5.184 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 13 . 1778 . 2 1 8 LYS HZ1 H -13.001 10.647 -8.306 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 13 . 1779 . 2 1 8 LYS HZ2 H -12.840 12.196 -7.764 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 13 . 1780 . 2 1 8 LYS HZ3 H -14.053 11.221 -7.186 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 13 . 1781 . 2 1 8 LYS N N -6.367 8.689 -6.972 . . . 1.0 . . . . . . . . . . . . B . 7 LYS N . . . . . . . . . rr_1pbz 1 . 13 . 1782 . 2 1 8 LYS NZ N -13.064 11.239 -7.467 . . . 1.0 . . . . . . . . . . . . B . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 13 . 1783 . 2 1 8 LYS O O -6.359 11.728 -5.146 . . . 1.0 . . . . . . . . . . . . B . 7 LYS O . . . . . . . . . rr_1pbz 1 . 13 . 1784 . 2 1 9 ALA C C -4.312 10.673 -3.068 . . . 1.0 . . . . . . . . . . . . B . 8 ALA C . . . . . . . . . rr_1pbz 1 . 13 . 1785 . 2 1 9 ALA CA C -5.785 10.191 -2.865 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 13 . 1786 . 2 1 9 ALA CB C -5.649 8.987 -1.947 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 13 . 1787 . 2 1 9 ALA H H -6.858 8.787 -4.181 . . . 1.0 . . . . . . . . . . . . B . 8 ALA H . . . . . . . . . rr_1pbz 1 . 13 . 1788 . 2 1 9 ALA HA H -6.395 10.932 -2.308 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 13 . 1789 . 2 1 9 ALA HB1 H -4.962 8.238 -2.383 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 13 . 1790 . 2 1 9 ALA HB2 H -5.199 9.338 -1.003 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1791 . 2 1 9 ALA HB3 H -6.621 8.523 -1.753 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1792 . 2 1 9 ALA N N -6.500 9.746 -4.091 . . . 1.0 . . . . . . . . . . . . B . 8 ALA N . . . . . . . . . rr_1pbz 1 . 13 . 1793 . 2 1 9 ALA O O -3.851 11.545 -2.340 . . . 1.0 . . . . . . . . . . . . B . 8 ALA O . . . . . . . . . rr_1pbz 1 . 13 . 1794 . 2 1 10 HIS C C -2.036 11.756 -4.993 . . . 1.0 . . . . . . . . . . . . B . 9 HIS C . . . . . . . . . rr_1pbz 1 . 13 . 1795 . 2 1 10 HIS CA C -2.144 10.359 -4.287 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 13 . 1796 . 2 1 10 HIS CB C -1.589 9.090 -4.976 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 13 . 1797 . 2 1 10 HIS CD2 C -1.617 7.721 -2.723 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 13 . 1798 . 2 1 10 HIS CE1 C -1.260 5.735 -3.544 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 13 . 1799 . 2 1 10 HIS CG C -1.481 7.815 -4.107 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 13 . 1800 . 2 1 10 HIS H H -4.093 9.378 -4.602 . . . 1.0 . . . . . . . . . . . . B . 9 HIS H . . . . . . . . . rr_1pbz 1 . 13 . 1801 . 2 1 10 HIS HA H -1.545 10.460 -3.358 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 13 . 1802 . 2 1 10 HIS HB2 H -2.198 8.870 -5.871 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1803 . 2 1 10 HIS HB3 H -0.583 9.331 -5.351 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1804 . 2 1 10 HIS HD1 H -1.052 6.364 -5.653 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 13 . 1805 . 2 1 10 HIS HD2 H -1.890 8.540 -2.055 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 13 . 1806 . 2 1 10 HIS HE1 H -1.151 4.658 -3.658 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 13 . 1807 . 2 1 10 HIS N N -3.560 10.017 -3.972 . . . 1.0 . . . . . . . . . . . . B . 9 HIS N . . . . . . . . . rr_1pbz 1 . 13 . 1808 . 2 1 10 HIS ND1 N -1.338 6.553 -4.685 . . . 1.0 . . . . . . . . . . . . B . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 13 . 1809 . 2 1 10 HIS NE2 N -1.358 6.444 -2.388 . . . 1.0 . . . . . . . . . . . . B . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 13 . 1810 . 2 1 10 HIS O O -1.255 12.588 -4.540 . . . 1.0 . . . . . . . . . . . . B . 9 HIS O . . . . . . . . . rr_1pbz 1 . 13 . 1811 . 2 1 11 ALA C C -3.612 14.466 -5.512 . . . 1.0 . . . . . . . . . . . . B . 10 ALA C . . . . . . . . . rr_1pbz 1 . 13 . 1812 . 2 1 11 ALA CA C -3.115 13.391 -6.557 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 13 . 1813 . 2 1 11 ALA CB C -4.171 13.119 -7.660 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 13 . 1814 . 2 1 11 ALA H H -3.158 11.216 -6.559 . . . 1.0 . . . . . . . . . . . . B . 10 ALA H . . . . . . . . . rr_1pbz 1 . 13 . 1815 . 2 1 11 ALA HA H -2.188 13.779 -7.013 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 13 . 1816 . 2 1 11 ALA HB1 H -5.107 12.695 -7.240 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 13 . 1817 . 2 1 11 ALA HB2 H -4.463 14.048 -8.179 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1818 . 2 1 11 ALA HB3 H -3.820 12.404 -8.428 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1819 . 2 1 11 ALA N N -2.876 12.031 -6.009 . . . 1.0 . . . . . . . . . . . . B . 10 ALA N . . . . . . . . . rr_1pbz 1 . 13 . 1820 . 2 1 11 ALA O O -3.009 15.537 -5.390 . . . 1.0 . . . . . . . . . . . . B . 10 ALA O . . . . . . . . . rr_1pbz 1 . 13 . 1821 . 2 1 12 LYS C C -4.076 15.380 -2.515 . . . 1.0 . . . . . . . . . . . . B . 11 LYS C . . . . . . . . . rr_1pbz 1 . 13 . 1822 . 2 1 12 LYS CA C -5.152 15.029 -3.605 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 13 . 1823 . 2 1 12 LYS CB C -6.418 14.332 -3.033 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 13 . 1824 . 2 1 12 LYS CD C -6.756 14.296 -0.483 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 13 . 1825 . 2 1 12 LYS CE C -6.915 15.199 0.749 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 13 . 1826 . 2 1 12 LYS CG C -7.081 15.024 -1.810 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 13 . 1827 . 2 1 12 LYS H H -4.825 13.126 -4.745 . . . 1.0 . . . . . . . . . . . . B . 11 LYS H . . . . . . . . . rr_1pbz 1 . 13 . 1828 . 2 1 12 LYS HA H -5.465 16.007 -4.026 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 13 . 1829 . 2 1 12 LYS HB2 H -7.159 14.268 -3.851 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1830 . 2 1 12 LYS HB3 H -6.178 13.276 -2.795 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1831 . 2 1 12 LYS HD2 H -7.391 13.388 -0.410 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 13 . 1832 . 2 1 12 LYS HD3 H -5.716 13.907 -0.499 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 13 . 1833 . 2 1 12 LYS HE2 H -6.124 15.987 0.733 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 13 . 1834 . 2 1 12 LYS HE3 H -7.875 15.760 0.705 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 13 . 1835 . 2 1 12 LYS HG2 H -6.772 16.094 -1.782 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 13 . 1836 . 2 1 12 LYS HG3 H -8.178 15.071 -1.953 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 13 . 1837 . 2 1 12 LYS HZ1 H -6.043 14.515 2.617 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 13 . 1838 . 2 1 12 LYS HZ2 H -6.619 13.335 1.790 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 13 . 1839 . 2 1 12 LYS HZ3 H -7.668 14.271 2.553 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 13 . 1840 . 2 1 12 LYS N N -4.677 14.154 -4.738 . . . 1.0 . . . . . . . . . . . . B . 11 LYS N . . . . . . . . . rr_1pbz 1 . 13 . 1841 . 2 1 12 LYS NZ N -6.830 14.351 1.972 . . . 1.0 . . . . . . . . . . . . B . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 13 . 1842 . 2 1 12 LYS O O -3.968 16.508 -2.028 . . . 1.0 . . . . . . . . . . . . B . 11 LYS O . . . . . . . . . rr_1pbz 1 . 13 . 1843 . 2 1 13 ALA C C -1.014 15.405 -2.092 . . . 1.0 . . . . . . . . . . . . B . 12 ALA C . . . . . . . . . rr_1pbz 1 . 13 . 1844 . 2 1 13 ALA CA C -2.077 14.541 -1.321 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 13 . 1845 . 2 1 13 ALA CB C -1.666 13.125 -0.891 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 13 . 1846 . 2 1 13 ALA H H -3.642 13.471 -2.474 . . . 1.0 . . . . . . . . . . . . B . 12 ALA H . . . . . . . . . rr_1pbz 1 . 13 . 1847 . 2 1 13 ALA HA H -2.348 15.098 -0.406 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 13 . 1848 . 2 1 13 ALA HB1 H -2.499 12.585 -0.408 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 13 . 1849 . 2 1 13 ALA HB2 H -1.326 12.516 -1.750 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1850 . 2 1 13 ALA HB3 H -0.849 13.155 -0.159 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1851 . 2 1 13 ALA N N -3.302 14.370 -2.120 . . . 1.0 . . . . . . . . . . . . B . 12 ALA N . . . . . . . . . rr_1pbz 1 . 13 . 1852 . 2 1 13 ALA O O -0.793 16.534 -1.699 . . . 1.0 . . . . . . . . . . . . B . 12 ALA O . . . . . . . . . rr_1pbz 1 . 13 . 1853 . 2 1 14 ALA C C 0.017 17.397 -4.320 . . . 1.0 . . . . . . . . . . . . B . 13 ALA C . . . . . . . . . rr_1pbz 1 . 13 . 1854 . 2 1 14 ALA CA C 0.441 15.881 -4.092 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 13 . 1855 . 2 1 14 ALA CB C 0.549 15.051 -5.377 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 13 . 1856 . 2 1 14 ALA H H -0.356 13.977 -3.199 . . . 1.0 . . . . . . . . . . . . B . 13 ALA H . . . . . . . . . rr_1pbz 1 . 13 . 1857 . 2 1 14 ALA HA H 1.454 15.950 -3.660 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 13 . 1858 . 2 1 14 ALA HB1 H 0.951 14.036 -5.180 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 13 . 1859 . 2 1 14 ALA HB2 H -0.447 14.916 -5.839 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1860 . 2 1 14 ALA HB3 H 1.208 15.534 -6.114 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1861 . 2 1 14 ALA N N -0.387 14.994 -3.192 . . . 1.0 . . . . . . . . . . . . B . 13 ALA N . . . . . . . . . rr_1pbz 1 . 13 . 1862 . 2 1 14 ALA O O 0.853 18.268 -4.570 . . . 1.0 . . . . . . . . . . . . B . 13 ALA O . . . . . . . . . rr_1pbz 1 . 13 . 1863 . 2 1 15 GLU C C -1.704 19.584 -2.606 . . . 1.0 . . . . . . . . . . . . B . 14 GLU C . . . . . . . . . rr_1pbz 1 . 13 . 1864 . 2 1 15 GLU CA C -1.924 18.992 -4.067 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 13 . 1865 . 2 1 15 GLU CB C -3.400 18.812 -4.559 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 13 . 1866 . 2 1 15 GLU CD C -5.529 19.486 -3.171 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 13 . 1867 . 2 1 15 GLU CG C -4.475 19.889 -4.203 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 13 . 1868 . 2 1 15 GLU H H -1.748 16.750 -3.972 . . . 1.0 . . . . . . . . . . . . B . 14 GLU H . . . . . . . . . rr_1pbz 1 . 13 . 1869 . 2 1 15 GLU HA H -1.433 19.702 -4.760 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 13 . 1870 . 2 1 15 GLU HB2 H -3.365 18.712 -5.661 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1871 . 2 1 15 GLU HB3 H -3.796 17.830 -4.238 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1872 . 2 1 15 GLU HG2 H -4.009 20.831 -3.863 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 13 . 1873 . 2 1 15 GLU HG3 H -5.049 20.160 -5.103 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 13 . 1874 . 2 1 15 GLU N N -1.293 17.645 -4.214 . . . 1.0 . . . . . . . . . . . . B . 14 GLU N . . . . . . . . . rr_1pbz 1 . 13 . 1875 . 2 1 15 GLU O O -0.897 20.505 -2.451 . . . 1.0 . . . . . . . . . . . . B . 14 GLU O . . . . . . . . . rr_1pbz 1 . 13 . 1876 . 2 1 15 GLU OE1 O -6.200 18.445 -3.355 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 13 . 1877 . 2 1 15 GLU OE2 O -5.701 20.211 -2.172 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 13 . 1878 . 2 1 16 ALA C C -1.159 18.678 0.775 . . . 1.0 . . . . . . . . . . . . B . 15 ALA C . . . . . . . . . rr_1pbz 1 . 13 . 1879 . 2 1 16 ALA CA C -2.154 19.521 -0.126 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 13 . 1880 . 2 1 16 ALA CB C -3.566 19.630 0.483 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 13 . 1881 . 2 1 16 ALA H H -3.168 18.487 -1.846 . . . 1.0 . . . . . . . . . . . . B . 15 ALA H . . . . . . . . . rr_1pbz 1 . 13 . 1882 . 2 1 16 ALA HA H -1.736 20.547 -0.133 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 13 . 1883 . 2 1 16 ALA HB1 H -4.092 18.658 0.494 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 13 . 1884 . 2 1 16 ALA HB2 H -3.535 20.012 1.519 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1885 . 2 1 16 ALA HB3 H -4.201 20.329 -0.096 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1886 . 2 1 16 ALA N N -2.368 19.068 -1.545 . . . 1.0 . . . . . . . . . . . . B . 15 ALA N . . . . . . . . . rr_1pbz 1 . 13 . 1887 . 2 1 16 ALA O O -0.345 19.241 1.512 . . . 1.0 . . . . . . . . . . . . B . 15 ALA O . . . . . . . . . rr_1pbz 1 . 13 . 1888 . 2 1 17 GLY C C 1.009 16.156 0.520 . . . 1.0 . . . . . . . . . . . . B . 16 GLY C . . . . . . . . . rr_1pbz 1 . 13 . 1889 . 2 1 17 GLY CA C -0.280 16.392 1.353 . . . 1.0 . . . . . . . . . . . . B . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 13 . 1890 . 2 1 17 GLY H H -1.735 17.102 -0.116 . . . 1.0 . . . . . . . . . . . . B . 16 GLY H . . . . . . . . . rr_1pbz 1 . 13 . 1891 . 2 1 17 GLY HA2 H 0.020 16.668 2.362 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 13 . 1892 . 2 1 17 GLY HA3 H -0.807 15.417 1.414 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 13 . 1893 . 2 1 17 GLY N N -1.281 17.341 0.777 . . . 1.0 . . . . . . . . . . . . B . 16 GLY N . . . . . . . . . rr_1pbz 1 . 13 . 1894 . 2 1 17 GLY O O 1.787 17.073 0.257 . . . 1.0 . . . . . . . . . . . . B . 16 GLY O . . . . . . . . . rr_1pbz 1 . 13 . 1895 . 2 1 18 CYS C C 1.941 13.144 -1.590 . . . 1.0 . . . . . . . . . . . . B . 17 CYS C . . . . . . . . . rr_1pbz 1 . 13 . 1896 . 2 1 18 CYS CA C 2.249 14.522 -0.898 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 13 . 1897 . 2 1 18 CYS CB C 3.615 14.454 -0.176 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 13 . 1898 . 2 1 18 CYS H H 0.603 14.184 0.492 . . . 1.0 . . . . . . . . . . . . B . 17 CYS H . . . . . . . . . rr_1pbz 1 . 13 . 1899 . 2 1 18 CYS HA H 2.170 15.302 -1.701 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 13 . 1900 . 2 1 18 CYS HB2 H 4.434 14.334 -0.905 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 13 . 1901 . 2 1 18 CYS HB3 H 3.824 15.381 0.392 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 13 . 1902 . 2 1 18 CYS N N 1.236 14.892 0.120 . . . 1.0 . . . . . . . . . . . . B . 17 CYS N . . . . . . . . . rr_1pbz 1 . 13 . 1903 . 2 1 18 CYS O O 1.305 12.248 -1.035 . . . 1.0 . . . . . . . . . . . . B . 17 CYS O . . . . . . . . . rr_1pbz 1 . 13 . 1904 . 2 1 18 CYS SG S 3.608 13.032 0.946 . . . 1.0 . . . . . . . . . . . . B . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 13 . 1905 . 2 1 19 NH2 HN1 H 2.250 11.903 -3.103 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 13 . 1906 . 2 1 19 NH2 HN2 H 3.009 13.573 -3.235 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 13 . 1907 . 2 1 19 NH2 N N 2.393 12.883 -2.800 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 13 . 1908 . 3 2 1 PC3 C C -2.521 9.592 1.331 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C . . . . . . . . . rr_1pbz 1 . 13 . 1909 . 3 2 1 PC3 C1 C -1.077 9.787 1.362 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C1 . . . . . . . . . rr_1pbz 1 . 13 . 1910 . 3 2 1 PC3 C10 C -6.813 6.198 0.485 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C10 . . . . . . . . . rr_1pbz 1 . 13 . 1911 . 3 2 1 PC3 C11 C -2.002 0.589 -2.592 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C11 . . . . . . . . . rr_1pbz 1 . 13 . 1912 . 3 2 1 PC3 C12 C 3.865 8.388 -0.710 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C12 . . . . . . . . . rr_1pbz 1 . 13 . 1913 . 3 2 1 PC3 C14 C -3.600 10.658 1.534 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C14 . . . . . . . . . rr_1pbz 1 . 13 . 1914 . 3 2 1 PC3 C15 C -4.529 10.503 2.757 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C15 . . . . . . . . . rr_1pbz 1 . 13 . 1915 . 3 2 1 PC3 C16 C -6.241 3.153 -0.489 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C16 . . . . . . . . . rr_1pbz 1 . 13 . 1916 . 3 2 1 PC3 C17 C -6.045 1.998 0.524 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C17 . . . . . . . . . rr_1pbz 1 . 13 . 1917 . 3 2 1 PC3 C18 C 1.297 1.069 -2.693 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C18 . . . . . . . . . rr_1pbz 1 . 13 . 1918 . 3 2 1 PC3 C19 C 2.249 0.476 -1.641 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C19 . . . . . . . . . rr_1pbz 1 . 13 . 1919 . 3 2 1 PC3 C2 C 2.977 7.181 -0.346 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2 . . . . . . . . . rr_1pbz 1 . 13 . 1920 . 3 2 1 PC3 C21 C -5.562 11.617 2.761 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C21 . . . . . . . . . rr_1pbz 1 . 13 . 1921 . 3 2 1 PC3 C22 C 2.200 9.238 -2.682 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C22 . . . . . . . . . rr_1pbz 1 . 13 . 1922 . 3 2 1 PC3 C23 C 2.864 1.528 -0.737 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C23 . . . . . . . . . rr_1pbz 1 . 13 . 1923 . 3 2 1 PC3 C24 C -6.845 0.750 0.216 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C24 . . . . . . . . . rr_1pbz 1 . 13 . 1924 . 3 2 1 PC3 C2A C -0.517 8.580 0.815 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2A . . . . . . . . . rr_1pbz 1 . 13 . 1925 . 3 2 1 PC3 C2C C -2.647 8.239 0.832 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2C . . . . . . . . . rr_1pbz 1 . 13 . 1926 . 3 2 1 PC3 C3 C 3.219 5.828 -0.807 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C3 . . . . . . . . . rr_1pbz 1 . 13 . 1927 . 3 2 1 PC3 C4 C 0.234 1.921 -2.015 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4 . . . . . . . . . rr_1pbz 1 . 13 . 1928 . 3 2 1 PC3 C4A C 1.926 5.243 -0.864 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4A . . . . . . . . . rr_1pbz 1 . 13 . 1929 . 3 2 1 PC3 C4C C 1.581 7.214 -0.033 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4C . . . . . . . . . rr_1pbz 1 . 13 . 1930 . 3 2 1 PC3 C5 C -1.188 1.697 -1.966 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C5 . . . . . . . . . rr_1pbz 1 . 13 . 1931 . 3 2 1 PC3 C6 C -5.205 4.263 -0.318 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6 . . . . . . . . . rr_1pbz 1 . 13 . 1932 . 3 2 1 PC3 C6A C -1.719 2.855 -1.369 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6A . . . . . . . . . rr_1pbz 1 . 13 . 1933 . 3 2 1 PC3 C6C C 0.395 3.225 -1.483 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6C . . . . . . . . . rr_1pbz 1 . 13 . 1934 . 3 2 1 PC3 C7 C -5.445 5.610 0.138 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C7 . . . . . . . . . rr_1pbz 1 . 13 . 1935 . 3 2 1 PC3 C8 C 4.537 5.242 -1.326 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8 . . . . . . . . . rr_1pbz 1 . 13 . 1936 . 3 2 1 PC3 C8A C -4.147 6.194 0.213 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8A . . . . . . . . . rr_1pbz 1 . 13 . 1937 . 3 2 1 PC3 C8C C -3.800 4.197 -0.541 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8C . . . . . . . . . rr_1pbz 1 . 13 . 1938 . 3 2 1 PC3 C9 C -0.321 11.015 1.868 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C9 . . . . . . . . . rr_1pbz 1 . 13 . 1939 . 3 2 1 PC3 CA C 0.900 8.346 0.592 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CA . . . . . . . . . rr_1pbz 1 . 13 . 1940 . 3 2 1 PC3 CB C 1.655 3.913 -1.375 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CB . . . . . . . . . rr_1pbz 1 . 13 . 1941 . 3 2 1 PC3 CC C -3.114 3.039 -1.086 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CC . . . . . . . . . rr_1pbz 1 . 13 . 1942 . 3 2 1 PC3 CD C -3.897 7.544 0.670 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CD . . . . . . . . . rr_1pbz 1 . 13 . 1943 . 3 2 1 PC3 CO3 Co -1.078 5.687 -0.273 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CO3 . . . . . . . . . rr_1pbz 1 . 13 . 1944 . 3 2 1 PC3 CX5 C 3.192 9.531 -1.535 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CX5 . . . . . . . . . rr_1pbz 1 . 13 . 1945 . 3 2 1 PC3 H101 H -6.825 7.301 0.556 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H101 . . . . . . . . . rr_1pbz 1 . 13 . 1946 . 3 2 1 PC3 H102 H -7.196 5.803 1.445 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H102 . . . . . . . . . rr_1pbz 1 . 13 . 1947 . 3 2 1 PC3 H103 H -7.570 5.939 -0.282 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H103 . . . . . . . . . rr_1pbz 1 . 13 . 1948 . 3 2 1 PC3 H111 H -2.897 0.350 -1.988 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H111 . . . . . . . . . rr_1pbz 1 . 13 . 1949 . 3 2 1 PC3 H112 H -1.406 -0.339 -2.688 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H112 . . . . . . . . . rr_1pbz 1 . 13 . 1950 . 3 2 1 PC3 H113 H -2.348 0.853 -3.608 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H113 . . . . . . . . . rr_1pbz 1 . 13 . 1951 . 3 2 1 PC3 H121 H 4.319 8.809 0.207 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H121 . . . . . . . . . rr_1pbz 1 . 13 . 1952 . 3 2 1 PC3 H122 H 4.732 8.034 -1.301 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H122 . . . . . . . . . rr_1pbz 1 . 13 . 1953 . 3 2 1 PC3 H141 H -3.130 11.658 1.595 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H141 . . . . . . . . . rr_1pbz 1 . 13 . 1954 . 3 2 1 PC3 H142 H -4.213 10.723 0.614 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H142 . . . . . . . . . rr_1pbz 1 . 13 . 1955 . 3 2 1 PC3 H151 H -5.072 9.544 2.763 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H151 . . . . . . . . . rr_1pbz 1 . 13 . 1956 . 3 2 1 PC3 H152 H -3.960 10.551 3.704 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H152 . . . . . . . . . rr_1pbz 1 . 13 . 1957 . 3 2 1 PC3 H161 H -7.276 3.536 -0.392 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H161 . . . . . . . . . rr_1pbz 1 . 13 . 1958 . 3 2 1 PC3 H162 H -6.206 2.760 -1.524 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H162 . . . . . . . . . rr_1pbz 1 . 13 . 1959 . 3 2 1 PC3 H171 H -5.001 1.653 0.581 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H171 . . . . . . . . . rr_1pbz 1 . 13 . 1960 . 3 2 1 PC3 H172 H -6.312 2.322 1.545 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H172 . . . . . . . . . rr_1pbz 1 . 13 . 1961 . 3 2 1 PC3 H181 H 0.840 0.258 -3.289 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H181 . . . . . . . . . rr_1pbz 1 . 13 . 1962 . 3 2 1 PC3 H182 H 1.876 1.687 -3.405 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H182 . . . . . . . . . rr_1pbz 1 . 13 . 1963 . 3 2 1 PC3 H191 H 3.063 -0.092 -2.125 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H191 . . . . . . . . . rr_1pbz 1 . 13 . 1964 . 3 2 1 PC3 H192 H 1.719 -0.247 -0.997 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H192 . . . . . . . . . rr_1pbz 1 . 13 . 1965 . 3 2 1 PC3 H221 H 2.661 10.204 -0.845 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H221 . . . . . . . . . rr_1pbz 1 . 13 . 1966 . 3 2 1 PC3 H222 H 3.988 10.173 -1.955 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H222 . . . . . . . . . rr_1pbz 1 . 13 . 1967 . 3 2 1 PC3 H81 H 4.613 4.155 -1.122 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H81 . . . . . . . . . rr_1pbz 1 . 13 . 1968 . 3 2 1 PC3 H82 H 4.640 5.384 -2.418 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H82 . . . . . . . . . rr_1pbz 1 . 13 . 1969 . 3 2 1 PC3 H83 H 5.414 5.716 -0.849 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H83 . . . . . . . . . rr_1pbz 1 . 13 . 1970 . 3 2 1 PC3 H91 H -0.992 11.845 2.158 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H91 . . . . . . . . . rr_1pbz 1 . 13 . 1971 . 3 2 1 PC3 H92 H 0.365 11.416 1.101 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H92 . . . . . . . . . rr_1pbz 1 . 13 . 1972 . 3 2 1 PC3 H93 H 0.290 10.782 2.759 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H93 . . . . . . . . . rr_1pbz 1 . 13 . 1973 . 3 2 1 PC3 HA H 1.545 9.176 0.855 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HA . . . . . . . . . rr_1pbz 1 . 13 . 1974 . 3 2 1 PC3 HB H 2.517 3.366 -1.745 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HB . . . . . . . . . rr_1pbz 1 . 13 . 1975 . 3 2 1 PC3 HC H -3.748 2.200 -1.356 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HC . . . . . . . . . rr_1pbz 1 . 13 . 1976 . 3 2 1 PC3 HD H -4.771 8.113 0.962 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HD . . . . . . . . . rr_1pbz 1 . 13 . 1977 . 3 2 1 PC3 N2B N -1.447 7.617 0.501 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N2B . . . . . . . . . rr_1pbz 1 . 13 . 1978 . 3 2 1 PC3 N4B N 0.916 6.060 -0.390 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N4B . . . . . . . . . rr_1pbz 1 . 13 . 1979 . 3 2 1 PC3 N6B N -0.784 3.813 -1.076 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N6B . . . . . . . . . rr_1pbz 1 . 13 . 1980 . 3 2 1 PC3 N8B N -3.124 5.347 -0.192 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N8B . . . . . . . . . rr_1pbz 1 . 13 . 1981 . 3 2 1 PC3 O1 O -6.423 11.636 1.855 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O1 . . . . . . . . . rr_1pbz 1 . 13 . 1982 . 3 2 1 PC3 O2 O -5.456 12.547 3.578 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O2 . . . . . . . . . rr_1pbz 1 . 13 . 1983 . 3 2 1 PC3 O22 O 1.278 8.398 -2.536 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O22 . . . . . . . . . rr_1pbz 1 . 13 . 1984 . 3 2 1 PC3 O23 O 4.038 1.390 -0.349 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O23 . . . . . . . . . rr_1pbz 1 . 13 . 1985 . 3 2 1 PC3 O3 O 2.270 9.942 -3.704 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O3 . . . . . . . . . rr_1pbz 1 . 13 . 1986 . 3 2 1 PC3 O4 O 2.141 2.500 -0.368 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O4 . . . . . . . . . rr_1pbz 1 . 13 . 1987 . 3 2 1 PC3 O5 O -7.182 0.026 1.168 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O5 . . . . . . . . . rr_1pbz 1 . 13 . 1988 . 3 2 1 PC3 O6 O -7.068 0.451 -0.975 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O6 . . . . . . . . . rr_1pbz 1 . 14 . 1989 . 1 1 2 CYS C C -4.843 -3.529 1.192 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . rr_1pbz 1 . 14 . 1990 . 1 1 2 CYS CA C -6.413 -3.523 1.373 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 14 . 1991 . 1 1 2 CYS CB C -7.097 -2.647 0.294 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 14 . 1992 . 1 1 2 CYS H H -7.054 -1.966 2.908 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H . . . . . . . . . rr_1pbz 1 . 14 . 1993 . 1 1 2 CYS HA H -6.742 -4.589 1.166 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 14 . 1994 . 1 1 2 CYS HB2 H -8.190 -2.572 0.457 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 14 . 1995 . 1 1 2 CYS HB3 H -6.705 -1.611 0.298 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 14 . 1996 . 1 1 2 CYS N N -6.947 -2.974 2.675 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . rr_1pbz 1 . 14 . 1997 . 1 1 2 CYS O O -4.370 -4.004 0.156 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . rr_1pbz 1 . 14 . 1998 . 1 1 2 CYS SG S -6.849 -3.369 -1.342 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 14 . 1999 . 1 1 3 GLY C C -1.811 -2.502 3.213 . . . 1.0 . . . . . . . . . . . . A . 2 GLY C . . . . . . . . . rr_1pbz 1 . 14 . 2000 . 1 1 3 GLY CA C -2.574 -2.816 1.912 . . . 1.0 . . . . . . . . . . . . A . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 14 . 2001 . 1 1 3 GLY H H -4.430 -2.773 3.039 . . . 1.0 . . . . . . . . . . . . A . 2 GLY H . . . . . . . . . rr_1pbz 1 . 14 . 2002 . 1 1 3 GLY HA2 H -2.115 -3.668 1.377 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 14 . 2003 . 1 1 3 GLY HA3 H -2.460 -1.951 1.226 . . . 1.0 . . . . . . . . . . . . A . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 14 . 2004 . 1 1 3 GLY N N -4.017 -3.034 2.141 . . . 1.0 . . . . . . . . . . . . A . 2 GLY N . . . . . . . . . rr_1pbz 1 . 14 . 2005 . 1 1 3 GLY O O -1.609 -1.334 3.533 . . . 1.0 . . . . . . . . . . . . A . 2 GLY O . . . . . . . . . rr_1pbz 1 . 14 . 2006 . 1 1 4 ALA C C 1.045 -2.910 4.755 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . rr_1pbz 1 . 14 . 2007 . 1 1 4 ALA CA C -0.430 -3.314 5.113 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 14 . 2008 . 1 1 4 ALA CB C -0.507 -4.580 5.955 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 14 . 2009 . 1 1 4 ALA H H -1.749 -4.445 3.757 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . rr_1pbz 1 . 14 . 2010 . 1 1 4 ALA HA H -0.827 -2.495 5.742 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 14 . 2011 . 1 1 4 ALA HB1 H -1.545 -4.778 6.278 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 14 . 2012 . 1 1 4 ALA HB2 H 0.108 -4.459 6.865 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2013 . 1 1 4 ALA HB3 H -0.129 -5.456 5.398 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2014 . 1 1 4 ALA N N -1.366 -3.520 3.967 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . rr_1pbz 1 . 14 . 2015 . 1 1 4 ALA O O 1.695 -2.185 5.507 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . rr_1pbz 1 . 14 . 2016 . 1 1 5 GLU C C 2.731 -1.322 2.601 . . . 1.0 . . . . . . . . . . . . A . 4 GLU C . . . . . . . . . rr_1pbz 1 . 14 . 2017 . 1 1 5 GLU CA C 2.837 -2.840 3.010 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 14 . 2018 . 1 1 5 GLU CB C 3.159 -3.784 1.849 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 14 . 2019 . 1 1 5 GLU CD C 5.779 -3.919 1.984 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 14 . 2020 . 1 1 5 GLU CG C 4.542 -3.625 1.155 . . . 1.0 . . . . . . . . . . . . A . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 14 . 2021 . 1 1 5 GLU H H 1.020 -4.149 3.221 . . . 1.0 . . . . . . . . . . . . A . 4 GLU H . . . . . . . . . rr_1pbz 1 . 14 . 2022 . 1 1 5 GLU HA H 3.662 -2.956 3.722 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 14 . 2023 . 1 1 5 GLU HB2 H 3.099 -4.807 2.259 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2024 . 1 1 5 GLU HB3 H 2.345 -3.654 1.117 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2025 . 1 1 5 GLU HG2 H 4.604 -4.297 0.284 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 14 . 2026 . 1 1 5 GLU HG3 H 4.658 -2.607 0.743 . . . 1.0 . . . . . . . . . . . . A . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 14 . 2027 . 1 1 5 GLU N N 1.568 -3.374 3.614 . . . 1.0 . . . . . . . . . . . . A . 4 GLU N . . . . . . . . . rr_1pbz 1 . 14 . 2028 . 1 1 5 GLU O O 3.589 -0.496 2.926 . . . 1.0 . . . . . . . . . . . . A . 4 GLU O . . . . . . . . . rr_1pbz 1 . 14 . 2029 . 1 1 5 GLU OE1 O 5.714 -4.651 2.996 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 14 . 2030 . 1 1 5 GLU OE2 O 6.855 -3.377 1.657 . . . 1.0 . . . . . . . . . . . . A . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 14 . 2031 . 1 1 6 ALA C C 1.064 1.233 3.086 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . rr_1pbz 1 . 14 . 2032 . 1 1 6 ALA CA C 1.209 0.462 1.734 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 14 . 2033 . 1 1 6 ALA CB C -0.151 0.418 1.026 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 14 . 2034 . 1 1 6 ALA H H 1.004 -1.781 1.809 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . rr_1pbz 1 . 14 . 2035 . 1 1 6 ALA HA H 1.938 1.043 1.099 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 14 . 2036 . 1 1 6 ALA HB1 H -0.921 -0.059 1.658 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 14 . 2037 . 1 1 6 ALA HB2 H -0.520 1.433 0.824 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2038 . 1 1 6 ALA HB3 H -0.108 -0.143 0.079 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2039 . 1 1 6 ALA N N 1.618 -0.959 1.927 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . rr_1pbz 1 . 14 . 2040 . 1 1 6 ALA O O 1.630 2.312 3.171 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . rr_1pbz 1 . 14 . 2041 . 1 1 7 ALA C C 1.795 1.450 6.174 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_1pbz 1 . 14 . 2042 . 1 1 7 ALA CA C 0.389 1.293 5.492 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 14 . 2043 . 1 1 7 ALA CB C -0.421 0.326 6.334 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 14 . 2044 . 1 1 7 ALA H H -0.099 -0.195 3.936 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_1pbz 1 . 14 . 2045 . 1 1 7 ALA HA H -0.168 2.269 5.505 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 14 . 2046 . 1 1 7 ALA HB1 H 0.129 -0.623 6.454 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 14 . 2047 . 1 1 7 ALA HB2 H -1.405 0.120 5.886 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2048 . 1 1 7 ALA HB3 H -0.551 0.747 7.344 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2049 . 1 1 7 ALA N N 0.366 0.713 4.119 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_1pbz 1 . 14 . 2050 . 1 1 7 ALA O O 2.022 2.476 6.820 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_1pbz 1 . 14 . 2051 . 1 1 8 LYS C C 4.855 1.890 5.740 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1pbz 1 . 14 . 2052 . 1 1 8 LYS CA C 4.156 0.669 6.456 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 14 . 2053 . 1 1 8 LYS CB C 4.843 -0.706 6.231 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 14 . 2054 . 1 1 8 LYS CD C 6.995 -2.126 6.200 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 14 . 2055 . 1 1 8 LYS CE C 7.392 -2.067 4.711 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 14 . 2056 . 1 1 8 LYS CG C 6.318 -0.826 6.695 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 14 . 2057 . 1 1 8 LYS H H 2.395 -0.428 5.599 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1pbz 1 . 14 . 2058 . 1 1 8 LYS HA H 4.169 0.923 7.541 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 14 . 2059 . 1 1 8 LYS HB2 H 4.255 -1.499 6.736 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2060 . 1 1 8 LYS HB3 H 4.762 -0.953 5.155 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2061 . 1 1 8 LYS HD2 H 7.897 -2.318 6.816 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 14 . 2062 . 1 1 8 LYS HD3 H 6.322 -2.986 6.401 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 14 . 2063 . 1 1 8 LYS HE2 H 6.531 -1.729 4.085 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 14 . 2064 . 1 1 8 LYS HE3 H 8.171 -1.292 4.536 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 14 . 2065 . 1 1 8 LYS HG2 H 6.907 0.059 6.375 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 14 . 2066 . 1 1 8 LYS HG3 H 6.344 -0.788 7.803 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 14 . 2067 . 1 1 8 LYS HZ1 H 8.670 -3.830 4.625 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 14 . 2068 . 1 1 8 LYS HZ2 H 7.053 -4.091 4.245 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 14 . 2069 . 1 1 8 LYS HZ3 H 7.900 -3.410 3.185 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 14 . 2070 . 1 1 8 LYS N N 2.726 0.469 6.038 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1pbz 1 . 14 . 2071 . 1 1 8 LYS NZ N 7.831 -3.400 4.228 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 14 . 2072 . 1 1 8 LYS O O 5.486 2.720 6.401 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1pbz 1 . 14 . 2073 . 1 1 9 ALA C C 4.303 4.551 4.108 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_1pbz 1 . 14 . 2074 . 1 1 9 ALA CA C 5.067 3.253 3.668 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 14 . 2075 . 1 1 9 ALA CB C 4.739 2.994 2.211 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 14 . 2076 . 1 1 9 ALA H H 4.247 1.221 3.954 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_1pbz 1 . 14 . 2077 . 1 1 9 ALA HA H 6.161 3.411 3.691 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 14 . 2078 . 1 1 9 ALA HB1 H 3.655 2.858 2.079 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 14 . 2079 . 1 1 9 ALA HB2 H 5.048 3.872 1.618 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2080 . 1 1 9 ALA HB3 H 5.267 2.098 1.852 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2081 . 1 1 9 ALA N N 4.714 2.016 4.407 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_1pbz 1 . 14 . 2082 . 1 1 9 ALA O O 4.928 5.603 4.185 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_1pbz 1 . 14 . 2083 . 1 1 10 HIS C C 2.776 6.057 6.381 . . . 1.0 . . . . . . . . . . . . A . 9 HIS C . . . . . . . . . rr_1pbz 1 . 14 . 2084 . 1 1 10 HIS CA C 2.187 5.587 5.007 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 14 . 2085 . 1 1 10 HIS CB C 0.709 5.118 4.960 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 14 . 2086 . 1 1 10 HIS CD2 C 0.315 5.286 2.364 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 14 . 2087 . 1 1 10 HIS CE1 C -1.339 3.879 2.165 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 14 . 2088 . 1 1 10 HIS CG C 0.026 4.776 3.614 . . . 1.0 . . . . . . . . . . . . A . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 14 . 2089 . 1 1 10 HIS H H 2.545 3.552 4.220 . . . 1.0 . . . . . . . . . . . . A . 9 HIS H . . . . . . . . . rr_1pbz 1 . 14 . 2090 . 1 1 10 HIS HA H 2.260 6.520 4.421 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 14 . 2091 . 1 1 10 HIS HB2 H 0.638 4.242 5.623 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2092 . 1 1 10 HIS HB3 H 0.106 5.904 5.435 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2093 . 1 1 10 HIS HD1 H -1.672 3.617 4.275 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 14 . 2094 . 1 1 10 HIS HD2 H 1.109 5.962 2.085 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 14 . 2095 . 1 1 10 HIS HE1 H -2.118 3.239 1.754 . . . 1.0 . . . . . . . . . . . . A . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 14 . 2096 . 1 1 10 HIS N N 2.980 4.484 4.376 . . . 1.0 . . . . . . . . . . . . A . 9 HIS N . . . . . . . . . rr_1pbz 1 . 14 . 2097 . 1 1 10 HIS ND1 N -0.995 3.817 3.527 . . . 1.0 . . . . . . . . . . . . A . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 14 . 2098 . 1 1 10 HIS NE2 N -0.591 4.791 1.508 . . . 1.0 . . . . . . . . . . . . A . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 14 . 2099 . 1 1 10 HIS O O 3.212 7.206 6.427 . . . 1.0 . . . . . . . . . . . . A . 9 HIS O . . . . . . . . . rr_1pbz 1 . 14 . 2100 . 1 1 11 ALA C C 5.172 6.153 8.353 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_1pbz 1 . 14 . 2101 . 1 1 11 ALA CA C 3.747 5.543 8.625 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 14 . 2102 . 1 1 11 ALA CB C 3.824 4.183 9.363 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 14 . 2103 . 1 1 11 ALA H H 2.219 4.483 7.588 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_1pbz 1 . 14 . 2104 . 1 1 11 ALA HA H 3.206 6.275 9.249 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 14 . 2105 . 1 1 11 ALA HB1 H 4.409 4.262 10.296 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 14 . 2106 . 1 1 11 ALA HB2 H 4.325 3.409 8.745 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2107 . 1 1 11 ALA HB3 H 2.828 3.782 9.628 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2108 . 1 1 11 ALA N N 2.923 5.214 7.432 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_1pbz 1 . 14 . 2109 . 1 1 11 ALA O O 5.492 7.234 8.862 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_1pbz 1 . 14 . 2110 . 1 1 12 LYS C C 7.348 7.435 6.441 . . . 1.0 . . . . . . . . . . . . A . 11 LYS C . . . . . . . . . rr_1pbz 1 . 14 . 2111 . 1 1 12 LYS CA C 7.345 6.022 7.136 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 14 . 2112 . 1 1 12 LYS CB C 8.106 4.906 6.357 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 14 . 2113 . 1 1 12 LYS CD C 10.408 5.988 5.714 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 14 . 2114 . 1 1 12 LYS CE C 11.485 6.759 6.504 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 14 . 2115 . 1 1 12 LYS CG C 9.646 4.909 6.528 . . . 1.0 . . . . . . . . . . . . A . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 14 . 2116 . 1 1 12 LYS H H 5.453 4.807 6.927 . . . 1.0 . . . . . . . . . . . . A . 11 LYS H . . . . . . . . . rr_1pbz 1 . 14 . 2117 . 1 1 12 LYS HA H 7.875 6.181 8.099 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 14 . 2118 . 1 1 12 LYS HB2 H 7.765 3.914 6.716 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2119 . 1 1 12 LYS HB3 H 7.815 4.915 5.288 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2120 . 1 1 12 LYS HD2 H 10.888 5.491 4.848 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 14 . 2121 . 1 1 12 LYS HD3 H 9.712 6.704 5.233 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 14 . 2122 . 1 1 12 LYS HE2 H 12.187 6.058 7.010 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 14 . 2123 . 1 1 12 LYS HE3 H 12.123 7.338 5.799 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 14 . 2124 . 1 1 12 LYS HG2 H 9.880 4.974 7.613 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 14 . 2125 . 1 1 12 LYS HG3 H 10.038 3.911 6.246 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 14 . 2126 . 1 1 12 LYS HZ1 H 10.471 7.216 8.355 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 14 . 2127 . 1 1 12 LYS HZ2 H 11.438 8.369 7.985 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 14 . 2128 . 1 1 12 LYS HZ3 H 10.008 8.171 7.163 . . . 1.0 . . . . . . . . . . . . A . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 14 . 2129 . 1 1 12 LYS N N 5.988 5.494 7.497 . . . 1.0 . . . . . . . . . . . . A . 11 LYS N . . . . . . . . . rr_1pbz 1 . 14 . 2130 . 1 1 12 LYS NZ N 10.852 7.673 7.491 . . . 1.0 . . . . . . . . . . . . A . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 14 . 2131 . 1 1 12 LYS O O 8.170 8.295 6.787 . . . 1.0 . . . . . . . . . . . . A . 11 LYS O . . . . . . . . . rr_1pbz 1 . 14 . 2132 . 1 1 13 ALA C C 5.569 9.933 6.002 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . rr_1pbz 1 . 14 . 2133 . 1 1 13 ALA CA C 6.112 8.972 4.894 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 14 . 2134 . 1 1 13 ALA CB C 5.172 8.738 3.694 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 14 . 2135 . 1 1 13 ALA H H 5.830 6.838 5.304 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . rr_1pbz 1 . 14 . 2136 . 1 1 13 ALA HA H 7.046 9.417 4.505 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 14 . 2137 . 1 1 13 ALA HB1 H 5.633 8.083 2.932 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 14 . 2138 . 1 1 13 ALA HB2 H 4.911 9.691 3.201 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2139 . 1 1 13 ALA HB3 H 4.220 8.263 4.005 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2140 . 1 1 13 ALA N N 6.442 7.645 5.466 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . rr_1pbz 1 . 14 . 2141 . 1 1 13 ALA O O 6.358 10.724 6.470 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . rr_1pbz 1 . 14 . 2142 . 1 1 14 ALA C C 4.858 11.057 8.852 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_1pbz 1 . 14 . 2143 . 1 1 14 ALA CA C 3.835 10.592 7.729 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 14 . 2144 . 1 1 14 ALA CB C 2.736 9.657 8.252 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 14 . 2145 . 1 1 14 ALA H H 3.765 9.234 5.946 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_1pbz 1 . 14 . 2146 . 1 1 14 ALA HA H 3.321 11.514 7.411 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 14 . 2147 . 1 1 14 ALA HB1 H 3.160 8.688 8.575 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 14 . 2148 . 1 1 14 ALA HB2 H 2.201 10.099 9.105 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2149 . 1 1 14 ALA HB3 H 1.981 9.436 7.468 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2150 . 1 1 14 ALA N N 4.330 9.878 6.491 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_1pbz 1 . 14 . 2151 . 1 1 14 ALA O O 4.720 12.133 9.437 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_1pbz 1 . 14 . 2152 . 1 1 15 GLU C C 8.103 11.382 8.967 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . rr_1pbz 1 . 14 . 2153 . 1 1 15 GLU CA C 7.098 10.549 9.878 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 14 . 2154 . 1 1 15 GLU CB C 7.594 9.186 10.468 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 14 . 2155 . 1 1 15 GLU CD C 10.059 8.347 10.358 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 14 . 2156 . 1 1 15 GLU CG C 9.000 9.105 11.144 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 14 . 2157 . 1 1 15 GLU H H 5.813 9.435 8.433 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . rr_1pbz 1 . 14 . 2158 . 1 1 15 GLU HA H 6.838 11.205 10.732 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 14 . 2159 . 1 1 15 GLU HB2 H 6.843 8.853 11.211 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2160 . 1 1 15 GLU HB3 H 7.540 8.398 9.690 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2161 . 1 1 15 GLU HG2 H 9.398 10.108 11.381 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 14 . 2162 . 1 1 15 GLU HG3 H 8.925 8.583 12.112 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 14 . 2163 . 1 1 15 GLU N N 5.863 10.207 9.114 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . rr_1pbz 1 . 14 . 2164 . 1 1 15 GLU O O 8.059 12.612 8.998 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . rr_1pbz 1 . 14 . 2165 . 1 1 15 GLU OE1 O 9.831 7.175 9.982 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 14 . 2166 . 1 1 15 GLU OE2 O 11.097 8.936 9.997 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 14 . 2167 . 1 1 16 ALA C C 9.583 12.263 6.148 . . . 1.0 . . . . . . . . . . . . A . 15 ALA C . . . . . . . . . rr_1pbz 1 . 14 . 2168 . 1 1 16 ALA CA C 10.113 11.333 7.319 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 14 . 2169 . 1 1 16 ALA CB C 10.968 12.045 8.350 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 14 . 2170 . 1 1 16 ALA H H 8.937 9.731 8.312 . . . 1.0 . . . . . . . . . . . . A . 15 ALA H . . . . . . . . . rr_1pbz 1 . 14 . 2171 . 1 1 16 ALA HA H 10.760 10.566 6.843 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 14 . 2172 . 1 1 16 ALA HB1 H 11.219 11.350 9.173 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 14 . 2173 . 1 1 16 ALA HB2 H 10.417 12.908 8.760 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2174 . 1 1 16 ALA HB3 H 11.880 12.396 7.857 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2175 . 1 1 16 ALA N N 8.993 10.735 8.161 . . . 1.0 . . . . . . . . . . . . A . 15 ALA N . . . . . . . . . rr_1pbz 1 . 14 . 2176 . 1 1 16 ALA O O 10.112 13.325 5.812 . . . 1.0 . . . . . . . . . . . . A . 15 ALA O . . . . . . . . . rr_1pbz 1 . 14 . 2177 . 1 1 17 GLY C C 6.554 13.164 5.006 . . . 1.0 . . . . . . . . . . . . A . 16 GLY C . . . . . . . . . rr_1pbz 1 . 14 . 2178 . 1 1 17 GLY CA C 7.758 12.378 4.435 . . . 1.0 . . . . . . . . . . . . A . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 14 . 2179 . 1 1 17 GLY H H 8.161 11.209 6.236 . . . 1.0 . . . . . . . . . . . . A . 16 GLY H . . . . . . . . . rr_1pbz 1 . 14 . 2180 . 1 1 17 GLY HA2 H 8.317 13.013 3.751 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 14 . 2181 . 1 1 17 GLY HA3 H 7.335 11.545 3.829 . . . 1.0 . . . . . . . . . . . . A . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 14 . 2182 . 1 1 17 GLY N N 8.615 11.701 5.447 . . . 1.0 . . . . . . . . . . . . A . 16 GLY N . . . . . . . . . rr_1pbz 1 . 14 . 2183 . 1 1 17 GLY O O 6.682 13.967 5.930 . . . 1.0 . . . . . . . . . . . . A . 16 GLY O . . . . . . . . . rr_1pbz 1 . 14 . 2184 . 1 1 18 CYS C C 2.968 12.549 4.254 . . . 1.0 . . . . . . . . . . . . A . 17 CYS C . . . . . . . . . rr_1pbz 1 . 14 . 2185 . 1 1 18 CYS CA C 4.083 13.319 5.005 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 14 . 2186 . 1 1 18 CYS CB C 3.904 14.855 4.912 . . . 1.0 . . . . . . . . . . . . A . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 14 . 2187 . 1 1 18 CYS H H 5.395 12.527 3.492 . . . 1.0 . . . . . . . . . . . . A . 17 CYS H . . . . . . . . . rr_1pbz 1 . 14 . 2188 . 1 1 18 CYS HA H 4.088 12.959 6.070 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 14 . 2189 . 1 1 18 CYS HB2 H 2.842 15.141 4.838 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2190 . 1 1 18 CYS HB3 H 4.298 15.295 5.843 . . . 1.0 . . . . . . . . . . . . A . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2191 . 1 1 18 CYS N N 5.367 12.889 4.441 . . . 1.0 . . . . . . . . . . . . A . 17 CYS N . . . . . . . . . rr_1pbz 1 . 14 . 2192 . 1 1 18 CYS O O 2.623 12.804 3.092 . . . 1.0 . . . . . . . . . . . . A . 17 CYS O . . . . . . . . . rr_1pbz 1 . 14 . 2193 . 1 1 18 CYS SG S 4.841 15.614 3.553 . . . 1.0 . . . . . . . . . . . . A . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 14 . 2194 . 1 1 19 NH2 HN1 H 2.748 11.407 5.922 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 14 . 2195 . 1 1 19 NH2 HN2 H 1.688 10.998 4.556 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 14 . 2196 . 1 1 19 NH2 N N 2.428 11.580 4.962 . . . 1.0 . . . . . . . . . . . . A . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 14 . 2197 . 2 1 2 CYS C C -6.083 0.750 -5.290 . . . 1.0 . . . . . . . . . . . . B . 1 CYS C . . . . . . . . . rr_1pbz 1 . 14 . 2198 . 2 1 2 CYS CA C -7.098 -0.265 -4.627 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CA . . . . . . . . . rr_1pbz 1 . 14 . 2199 . 2 1 2 CYS CB C -6.464 -1.132 -3.507 . . . 1.0 . . . . . . . . . . . . B . 1 CYS CB . . . . . . . . . rr_1pbz 1 . 14 . 2200 . 2 1 2 CYS H H -7.405 -2.170 -5.812 . . . 1.0 . . . . . . . . . . . . B . 1 CYS H . . . . . . . . . rr_1pbz 1 . 14 . 2201 . 2 1 2 CYS HA H -7.841 0.396 -4.103 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HA . . . . . . . . . rr_1pbz 1 . 14 . 2202 . 2 1 2 CYS HB2 H -5.619 -1.744 -3.873 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2203 . 2 1 2 CYS HB3 H -6.044 -0.496 -2.703 . . . 1.0 . . . . . . . . . . . . B . 1 CYS HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2204 . 2 1 2 CYS N N -7.772 -1.239 -5.556 . . . 1.0 . . . . . . . . . . . . B . 1 CYS N . . . . . . . . . rr_1pbz 1 . 14 . 2205 . 2 1 2 CYS O O -5.756 1.737 -4.628 . . . 1.0 . . . . . . . . . . . . B . 1 CYS O . . . . . . . . . rr_1pbz 1 . 14 . 2206 . 2 1 2 CYS SG S -7.695 -2.221 -2.751 . . . 1.0 . . . . . . . . . . . . B . 1 CYS SG . . . . . . . . . rr_1pbz 1 . 14 . 2207 . 2 1 3 GLY C C -5.304 2.895 -7.758 . . . 1.0 . . . . . . . . . . . . B . 2 GLY C . . . . . . . . . rr_1pbz 1 . 14 . 2208 . 2 1 3 GLY CA C -4.706 1.570 -7.218 . . . 1.0 . . . . . . . . . . . . B . 2 GLY CA . . . . . . . . . rr_1pbz 1 . 14 . 2209 . 2 1 3 GLY H H -6.021 -0.202 -7.082 . . . 1.0 . . . . . . . . . . . . B . 2 GLY H . . . . . . . . . rr_1pbz 1 . 14 . 2210 . 2 1 3 GLY HA2 H -3.886 1.836 -6.521 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA2 . . . . . . . . . rr_1pbz 1 . 14 . 2211 . 2 1 3 GLY HA3 H -4.181 1.079 -8.056 . . . 1.0 . . . . . . . . . . . . B . 2 GLY HA3 . . . . . . . . . rr_1pbz 1 . 14 . 2212 . 2 1 3 GLY N N -5.623 0.586 -6.557 . . . 1.0 . . . . . . . . . . . . B . 2 GLY N . . . . . . . . . rr_1pbz 1 . 14 . 2213 . 2 1 3 GLY O O -4.622 3.916 -7.744 . . . 1.0 . . . . . . . . . . . . B . 2 GLY O . . . . . . . . . rr_1pbz 1 . 14 . 2214 . 2 1 4 ALA C C -7.782 5.011 -7.337 . . . 1.0 . . . . . . . . . . . . B . 3 ALA C . . . . . . . . . rr_1pbz 1 . 14 . 2215 . 2 1 4 ALA CA C -7.266 4.189 -8.570 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CA . . . . . . . . . rr_1pbz 1 . 14 . 2216 . 2 1 4 ALA CB C -8.385 3.792 -9.529 . . . 1.0 . . . . . . . . . . . . B . 3 ALA CB . . . . . . . . . rr_1pbz 1 . 14 . 2217 . 2 1 4 ALA H H -7.016 2.010 -8.296 . . . 1.0 . . . . . . . . . . . . B . 3 ALA H . . . . . . . . . rr_1pbz 1 . 14 . 2218 . 2 1 4 ALA HA H -6.572 4.865 -9.118 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HA . . . . . . . . . rr_1pbz 1 . 14 . 2219 . 2 1 4 ALA HB1 H -8.932 4.689 -9.864 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB1 . . . . . . . . . rr_1pbz 1 . 14 . 2220 . 2 1 4 ALA HB2 H -7.979 3.290 -10.427 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2221 . 2 1 4 ALA HB3 H -9.109 3.113 -9.042 . . . 1.0 . . . . . . . . . . . . B . 3 ALA HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2222 . 2 1 4 ALA N N -6.552 2.919 -8.254 . . . 1.0 . . . . . . . . . . . . B . 3 ALA N . . . . . . . . . rr_1pbz 1 . 14 . 2223 . 2 1 4 ALA O O -7.693 6.244 -7.356 . . . 1.0 . . . . . . . . . . . . B . 3 ALA O . . . . . . . . . rr_1pbz 1 . 14 . 2224 . 2 1 5 GLU C C -7.266 5.594 -4.285 . . . 1.0 . . . . . . . . . . . . B . 4 GLU C . . . . . . . . . rr_1pbz 1 . 14 . 2225 . 2 1 5 GLU CA C -8.564 5.035 -4.965 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CA . . . . . . . . . rr_1pbz 1 . 14 . 2226 . 2 1 5 GLU CB C -9.431 4.091 -4.091 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CB . . . . . . . . . rr_1pbz 1 . 14 . 2227 . 2 1 5 GLU CD C -11.733 5.069 -4.841 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CD . . . . . . . . . rr_1pbz 1 . 14 . 2228 . 2 1 5 GLU CG C -10.895 3.835 -4.567 . . . 1.0 . . . . . . . . . . . . B . 4 GLU CG . . . . . . . . . rr_1pbz 1 . 14 . 2229 . 2 1 5 GLU H H -8.594 3.393 -6.416 . . . 1.0 . . . . . . . . . . . . B . 4 GLU H . . . . . . . . . rr_1pbz 1 . 14 . 2230 . 2 1 5 GLU HA H -9.141 5.941 -5.180 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HA . . . . . . . . . rr_1pbz 1 . 14 . 2231 . 2 1 5 GLU HB2 H -8.907 3.123 -3.969 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2232 . 2 1 5 GLU HB3 H -9.482 4.522 -3.075 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2233 . 2 1 5 GLU HG2 H -10.911 3.228 -5.487 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG2 . . . . . . . . . rr_1pbz 1 . 14 . 2234 . 2 1 5 GLU HG3 H -11.446 3.247 -3.814 . . . 1.0 . . . . . . . . . . . . B . 4 GLU HG3 . . . . . . . . . rr_1pbz 1 . 14 . 2235 . 2 1 5 GLU N N -8.304 4.363 -6.272 . . . 1.0 . . . . . . . . . . . . B . 4 GLU N . . . . . . . . . rr_1pbz 1 . 14 . 2236 . 2 1 5 GLU O O -7.250 6.729 -3.788 . . . 1.0 . . . . . . . . . . . . B . 4 GLU O . . . . . . . . . rr_1pbz 1 . 14 . 2237 . 2 1 5 GLU OE1 O -12.128 5.771 -3.893 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE1 . . . . . . . . . rr_1pbz 1 . 14 . 2238 . 2 1 5 GLU OE2 O -11.944 5.406 -6.023 . . . 1.0 . . . . . . . . . . . . B . 4 GLU OE2 . . . . . . . . . rr_1pbz 1 . 14 . 2239 . 2 1 6 ALA C C -4.456 6.556 -4.992 . . . 1.0 . . . . . . . . . . . . B . 5 ALA C . . . . . . . . . rr_1pbz 1 . 14 . 2240 . 2 1 6 ALA CA C -4.803 5.358 -4.069 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CA . . . . . . . . . rr_1pbz 1 . 14 . 2241 . 2 1 6 ALA CB C -3.786 4.270 -4.420 . . . 1.0 . . . . . . . . . . . . B . 5 ALA CB . . . . . . . . . rr_1pbz 1 . 14 . 2242 . 2 1 6 ALA H H -6.337 3.974 -4.909 . . . 1.0 . . . . . . . . . . . . B . 5 ALA H . . . . . . . . . rr_1pbz 1 . 14 . 2243 . 2 1 6 ALA HA H -4.673 5.703 -3.008 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HA . . . . . . . . . rr_1pbz 1 . 14 . 2244 . 2 1 6 ALA HB1 H -2.756 4.632 -4.306 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB1 . . . . . . . . . rr_1pbz 1 . 14 . 2245 . 2 1 6 ALA HB2 H -3.821 3.998 -5.491 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2246 . 2 1 6 ALA HB3 H -3.900 3.343 -3.855 . . . 1.0 . . . . . . . . . . . . B . 5 ALA HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2247 . 2 1 6 ALA N N -6.161 4.825 -4.346 . . . 1.0 . . . . . . . . . . . . B . 5 ALA N . . . . . . . . . rr_1pbz 1 . 14 . 2248 . 2 1 6 ALA O O -4.085 7.585 -4.448 . . . 1.0 . . . . . . . . . . . . B . 5 ALA O . . . . . . . . . rr_1pbz 1 . 14 . 2249 . 2 1 7 ALA C C -4.852 8.949 -6.959 . . . 1.0 . . . . . . . . . . . . B . 6 ALA C . . . . . . . . . rr_1pbz 1 . 14 . 2250 . 2 1 7 ALA CA C -4.172 7.544 -7.240 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CA . . . . . . . . . rr_1pbz 1 . 14 . 2251 . 2 1 7 ALA CB C -4.535 7.065 -8.636 . . . 1.0 . . . . . . . . . . . . B . 6 ALA CB . . . . . . . . . rr_1pbz 1 . 14 . 2252 . 2 1 7 ALA H H -4.942 5.572 -6.720 . . . 1.0 . . . . . . . . . . . . B . 6 ALA H . . . . . . . . . rr_1pbz 1 . 14 . 2253 . 2 1 7 ALA HA H -3.061 7.508 -7.154 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HA . . . . . . . . . rr_1pbz 1 . 14 . 2254 . 2 1 7 ALA HB1 H -4.209 7.813 -9.376 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB1 . . . . . . . . . rr_1pbz 1 . 14 . 2255 . 2 1 7 ALA HB2 H -5.630 6.947 -8.733 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2256 . 2 1 7 ALA HB3 H -4.051 6.101 -8.863 . . . 1.0 . . . . . . . . . . . . B . 6 ALA HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2257 . 2 1 7 ALA N N -4.592 6.466 -6.332 . . . 1.0 . . . . . . . . . . . . B . 6 ALA N . . . . . . . . . rr_1pbz 1 . 14 . 2258 . 2 1 7 ALA O O -4.185 9.977 -6.840 . . . 1.0 . . . . . . . . . . . . B . 6 ALA O . . . . . . . . . rr_1pbz 1 . 14 . 2259 . 2 1 8 LYS C C -6.598 10.606 -4.885 . . . 1.0 . . . . . . . . . . . . B . 7 LYS C . . . . . . . . . rr_1pbz 1 . 14 . 2260 . 2 1 8 LYS CA C -7.033 10.057 -6.292 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CA . . . . . . . . . rr_1pbz 1 . 14 . 2261 . 2 1 8 LYS CB C -8.470 9.448 -6.332 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CB . . . . . . . . . rr_1pbz 1 . 14 . 2262 . 2 1 8 LYS CD C -10.453 10.016 -4.695 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CD . . . . . . . . . rr_1pbz 1 . 14 . 2263 . 2 1 8 LYS CE C -10.978 8.569 -4.518 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CE . . . . . . . . . rr_1pbz 1 . 14 . 2264 . 2 1 8 LYS CG C -9.662 10.380 -5.982 . . . 1.0 . . . . . . . . . . . . B . 7 LYS CG . . . . . . . . . rr_1pbz 1 . 14 . 2265 . 2 1 8 LYS H H -6.586 7.997 -6.991 . . . 1.0 . . . . . . . . . . . . B . 7 LYS H . . . . . . . . . rr_1pbz 1 . 14 . 2266 . 2 1 8 LYS HA H -6.942 10.915 -7.000 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HA . . . . . . . . . rr_1pbz 1 . 14 . 2267 . 2 1 8 LYS HB2 H -8.664 9.030 -7.341 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2268 . 2 1 8 LYS HB3 H -8.483 8.547 -5.685 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2269 . 2 1 8 LYS HD2 H -9.805 10.250 -3.825 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD2 . . . . . . . . . rr_1pbz 1 . 14 . 2270 . 2 1 8 LYS HD3 H -11.299 10.724 -4.589 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HD3 . . . . . . . . . rr_1pbz 1 . 14 . 2271 . 2 1 8 LYS HE2 H -10.132 7.862 -4.365 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE2 . . . . . . . . . rr_1pbz 1 . 14 . 2272 . 2 1 8 LYS HE3 H -11.534 8.471 -3.557 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HE3 . . . . . . . . . rr_1pbz 1 . 14 . 2273 . 2 1 8 LYS HG2 H -9.307 11.429 -5.896 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG2 . . . . . . . . . rr_1pbz 1 . 14 . 2274 . 2 1 8 LYS HG3 H -10.359 10.418 -6.843 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HG3 . . . . . . . . . rr_1pbz 1 . 14 . 2275 . 2 1 8 LYS HZ1 H -11.394 8.173 -6.569 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 14 . 2276 . 2 1 8 LYS HZ2 H -12.010 7.070 -5.559 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 14 . 2277 . 2 1 8 LYS HZ3 H -12.772 8.515 -5.693 . . . 1.0 . . . . . . . . . . . . B . 7 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 14 . 2278 . 2 1 8 LYS N N -6.193 8.931 -6.800 . . . 1.0 . . . . . . . . . . . . B . 7 LYS N . . . . . . . . . rr_1pbz 1 . 14 . 2279 . 2 1 8 LYS NZ N -11.834 8.108 -5.646 . . . 1.0 . . . . . . . . . . . . B . 7 LYS NZ . . . . . . . . . rr_1pbz 1 . 14 . 2280 . 2 1 8 LYS O O -6.404 11.816 -4.739 . . . 1.0 . . . . . . . . . . . . B . 7 LYS O . . . . . . . . . rr_1pbz 1 . 14 . 2281 . 2 1 9 ALA C C -4.268 10.737 -2.752 . . . 1.0 . . . . . . . . . . . . B . 8 ALA C . . . . . . . . . rr_1pbz 1 . 14 . 2282 . 2 1 9 ALA CA C -5.721 10.159 -2.597 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CA . . . . . . . . . rr_1pbz 1 . 14 . 2283 . 2 1 9 ALA CB C -5.554 8.902 -1.758 . . . 1.0 . . . . . . . . . . . . B . 8 ALA CB . . . . . . . . . rr_1pbz 1 . 14 . 2284 . 2 1 9 ALA H H -6.618 8.756 -4.046 . . . 1.0 . . . . . . . . . . . . B . 8 ALA H . . . . . . . . . rr_1pbz 1 . 14 . 2285 . 2 1 9 ALA HA H -6.371 10.842 -2.009 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HA . . . . . . . . . rr_1pbz 1 . 14 . 2286 . 2 1 9 ALA HB1 H -5.094 9.181 -0.793 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB1 . . . . . . . . . rr_1pbz 1 . 14 . 2287 . 2 1 9 ALA HB2 H -6.520 8.415 -1.579 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2288 . 2 1 9 ALA HB3 H -4.872 8.191 -2.256 . . . 1.0 . . . . . . . . . . . . B . 8 ALA HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2289 . 2 1 9 ALA N N -6.403 9.747 -3.857 . . . 1.0 . . . . . . . . . . . . B . 8 ALA N . . . . . . . . . rr_1pbz 1 . 14 . 2290 . 2 1 9 ALA O O -3.848 11.576 -1.961 . . . 1.0 . . . . . . . . . . . . B . 8 ALA O . . . . . . . . . rr_1pbz 1 . 14 . 2291 . 2 1 10 HIS C C -2.016 12.064 -4.547 . . . 1.0 . . . . . . . . . . . . B . 9 HIS C . . . . . . . . . rr_1pbz 1 . 14 . 2292 . 2 1 10 HIS CA C -2.077 10.606 -3.979 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CA . . . . . . . . . rr_1pbz 1 . 14 . 2293 . 2 1 10 HIS CB C -1.476 9.438 -4.811 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CB . . . . . . . . . rr_1pbz 1 . 14 . 2294 . 2 1 10 HIS CD2 C -1.468 7.765 -2.775 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CD2 . . . . . . . . . rr_1pbz 1 . 14 . 2295 . 2 1 10 HIS CE1 C -0.654 6.006 -3.793 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CE1 . . . . . . . . . rr_1pbz 1 . 14 . 2296 . 2 1 10 HIS CG C -1.239 8.084 -4.109 . . . 1.0 . . . . . . . . . . . . B . 9 HIS CG . . . . . . . . . rr_1pbz 1 . 14 . 2297 . 2 1 10 HIS H H -4.016 9.659 -4.425 . . . 1.0 . . . . . . . . . . . . B . 9 HIS H . . . . . . . . . rr_1pbz 1 . 14 . 2298 . 2 1 10 HIS HA H -1.505 10.635 -3.030 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HA . . . . . . . . . rr_1pbz 1 . 14 . 2299 . 2 1 10 HIS HB2 H -2.118 9.254 -5.692 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2300 . 2 1 10 HIS HB3 H -0.515 9.772 -5.228 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2301 . 2 1 10 HIS HD1 H -0.354 6.918 -5.747 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD1 . . . . . . . . . rr_1pbz 1 . 14 . 2302 . 2 1 10 HIS HD2 H -1.926 8.412 -2.026 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HD2 . . . . . . . . . rr_1pbz 1 . 14 . 2303 . 2 1 10 HIS HE1 H -0.305 5.003 -4.014 . . . 1.0 . . . . . . . . . . . . B . 9 HIS HE1 . . . . . . . . . rr_1pbz 1 . 14 . 2304 . 2 1 10 HIS N N -3.487 10.208 -3.713 . . . 1.0 . . . . . . . . . . . . B . 9 HIS N . . . . . . . . . rr_1pbz 1 . 14 . 2305 . 2 1 10 HIS ND1 N -0.789 6.968 -4.817 . . . 1.0 . . . . . . . . . . . . B . 9 HIS ND1 . . . . . . . . . rr_1pbz 1 . 14 . 2306 . 2 1 10 HIS NE2 N -1.016 6.512 -2.588 . . . 1.0 . . . . . . . . . . . . B . 9 HIS NE2 . . . . . . . . . rr_1pbz 1 . 14 . 2307 . 2 1 10 HIS O O -1.341 12.902 -3.946 . . . 1.0 . . . . . . . . . . . . B . 9 HIS O . . . . . . . . . rr_1pbz 1 . 14 . 2308 . 2 1 11 ALA C C -3.683 14.697 -4.969 . . . 1.0 . . . . . . . . . . . . B . 10 ALA C . . . . . . . . . rr_1pbz 1 . 14 . 2309 . 2 1 11 ALA CA C -3.100 13.736 -6.068 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CA . . . . . . . . . rr_1pbz 1 . 14 . 2310 . 2 1 11 ALA CB C -4.126 13.467 -7.200 . . . 1.0 . . . . . . . . . . . . B . 10 ALA CB . . . . . . . . . rr_1pbz 1 . 14 . 2311 . 2 1 11 ALA H H -3.050 11.593 -6.232 . . . 1.0 . . . . . . . . . . . . B . 10 ALA H . . . . . . . . . rr_1pbz 1 . 14 . 2312 . 2 1 11 ALA HA H -2.196 14.215 -6.478 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HA . . . . . . . . . rr_1pbz 1 . 14 . 2313 . 2 1 11 ALA HB1 H -5.037 12.952 -6.822 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB1 . . . . . . . . . rr_1pbz 1 . 14 . 2314 . 2 1 11 ALA HB2 H -4.480 14.405 -7.662 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2315 . 2 1 11 ALA HB3 H -3.724 12.831 -8.011 . . . 1.0 . . . . . . . . . . . . B . 10 ALA HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2316 . 2 1 11 ALA N N -2.788 12.363 -5.611 . . . 1.0 . . . . . . . . . . . . B . 10 ALA N . . . . . . . . . rr_1pbz 1 . 14 . 2317 . 2 1 11 ALA O O -3.161 15.801 -4.770 . . . 1.0 . . . . . . . . . . . . B . 10 ALA O . . . . . . . . . rr_1pbz 1 . 14 . 2318 . 2 1 12 LYS C C -4.317 15.438 -1.942 . . . 1.0 . . . . . . . . . . . . B . 11 LYS C . . . . . . . . . rr_1pbz 1 . 14 . 2319 . 2 1 12 LYS CA C -5.296 15.098 -3.116 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CA . . . . . . . . . rr_1pbz 1 . 14 . 2320 . 2 1 12 LYS CB C -6.633 14.486 -2.626 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CB . . . . . . . . . rr_1pbz 1 . 14 . 2321 . 2 1 12 LYS CD C -7.778 16.811 -2.330 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CD . . . . . . . . . rr_1pbz 1 . 14 . 2322 . 2 1 12 LYS CE C -8.717 17.697 -1.498 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CE . . . . . . . . . rr_1pbz 1 . 14 . 2323 . 2 1 12 LYS CG C -7.522 15.404 -1.735 . . . 1.0 . . . . . . . . . . . . B . 11 LYS CG . . . . . . . . . rr_1pbz 1 . 14 . 2324 . 2 1 12 LYS H H -4.855 13.230 -4.309 . . . 1.0 . . . . . . . . . . . . B . 11 LYS H . . . . . . . . . rr_1pbz 1 . 14 . 2325 . 2 1 12 LYS HA H -5.526 16.071 -3.586 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HA . . . . . . . . . rr_1pbz 1 . 14 . 2326 . 2 1 12 LYS HB2 H -7.216 14.167 -3.509 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2327 . 2 1 12 LYS HB3 H -6.401 13.547 -2.084 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2328 . 2 1 12 LYS HD2 H -6.802 17.336 -2.423 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD2 . . . . . . . . . rr_1pbz 1 . 14 . 2329 . 2 1 12 LYS HD3 H -8.148 16.718 -3.373 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HD3 . . . . . . . . . rr_1pbz 1 . 14 . 2330 . 2 1 12 LYS HE2 H -9.742 17.268 -1.470 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE2 . . . . . . . . . rr_1pbz 1 . 14 . 2331 . 2 1 12 LYS HE3 H -8.366 17.742 -0.442 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HE3 . . . . . . . . . rr_1pbz 1 . 14 . 2332 . 2 1 12 LYS HG2 H -8.482 14.889 -1.536 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG2 . . . . . . . . . rr_1pbz 1 . 14 . 2333 . 2 1 12 LYS HG3 H -7.040 15.513 -0.741 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HG3 . . . . . . . . . rr_1pbz 1 . 14 . 2334 . 2 1 12 LYS HZ1 H -9.327 19.777 -1.761 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ1 . . . . . . . . . rr_1pbz 1 . 14 . 2335 . 2 1 12 LYS HZ2 H -7.737 19.493 -2.057 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ2 . . . . . . . . . rr_1pbz 1 . 14 . 2336 . 2 1 12 LYS HZ3 H -8.719 19.063 -3.148 . . . 1.0 . . . . . . . . . . . . B . 11 LYS HZ3 . . . . . . . . . rr_1pbz 1 . 14 . 2337 . 2 1 12 LYS N N -4.727 14.259 -4.222 . . . 1.0 . . . . . . . . . . . . B . 11 LYS N . . . . . . . . . rr_1pbz 1 . 14 . 2338 . 2 1 12 LYS NZ N -8.697 19.052 -2.115 . . . 1.0 . . . . . . . . . . . . B . 11 LYS NZ . . . . . . . . . rr_1pbz 1 . 14 . 2339 . 2 1 12 LYS O O -4.330 16.549 -1.407 . . . 1.0 . . . . . . . . . . . . B . 11 LYS O . . . . . . . . . rr_1pbz 1 . 14 . 2340 . 2 1 13 ALA C C -1.297 15.662 -1.343 . . . 1.0 . . . . . . . . . . . . B . 12 ALA C . . . . . . . . . rr_1pbz 1 . 14 . 2341 . 2 1 13 ALA CA C -2.320 14.676 -0.679 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CA . . . . . . . . . rr_1pbz 1 . 14 . 2342 . 2 1 13 ALA CB C -1.765 13.284 -0.346 . . . 1.0 . . . . . . . . . . . . B . 12 ALA CB . . . . . . . . . rr_1pbz 1 . 14 . 2343 . 2 1 13 ALA H H -3.736 13.557 -1.971 . . . 1.0 . . . . . . . . . . . . B . 12 ALA H . . . . . . . . . rr_1pbz 1 . 14 . 2344 . 2 1 13 ALA HA H -2.670 15.140 0.262 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HA . . . . . . . . . rr_1pbz 1 . 14 . 2345 . 2 1 13 ALA HB1 H -2.531 12.665 0.157 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB1 . . . . . . . . . rr_1pbz 1 . 14 . 2346 . 2 1 13 ALA HB2 H -0.892 13.363 0.326 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2347 . 2 1 13 ALA HB3 H -1.437 12.742 -1.252 . . . 1.0 . . . . . . . . . . . . B . 12 ALA HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2348 . 2 1 13 ALA N N -3.492 14.461 -1.552 . . . 1.0 . . . . . . . . . . . . B . 12 ALA N . . . . . . . . . rr_1pbz 1 . 14 . 2349 . 2 1 13 ALA O O -1.231 16.799 -0.923 . . . 1.0 . . . . . . . . . . . . B . 12 ALA O . . . . . . . . . rr_1pbz 1 . 14 . 2350 . 2 1 14 ALA C C -0.246 17.786 -3.425 . . . 1.0 . . . . . . . . . . . . B . 13 ALA C . . . . . . . . . rr_1pbz 1 . 14 . 2351 . 2 1 14 ALA CA C 0.237 16.283 -3.241 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CA . . . . . . . . . rr_1pbz 1 . 14 . 2352 . 2 1 14 ALA CB C 0.417 15.514 -4.557 . . . 1.0 . . . . . . . . . . . . B . 13 ALA CB . . . . . . . . . rr_1pbz 1 . 14 . 2353 . 2 1 14 ALA H H -0.555 14.312 -2.498 . . . 1.0 . . . . . . . . . . . . B . 13 ALA H . . . . . . . . . rr_1pbz 1 . 14 . 2354 . 2 1 14 ALA HA H 1.238 16.371 -2.783 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HA . . . . . . . . . rr_1pbz 1 . 14 . 2355 . 2 1 14 ALA HB1 H 0.880 14.522 -4.390 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB1 . . . . . . . . . rr_1pbz 1 . 14 . 2356 . 2 1 14 ALA HB2 H -0.557 15.344 -5.052 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2357 . 2 1 14 ALA HB3 H 1.063 16.068 -5.256 . . . 1.0 . . . . . . . . . . . . B . 13 ALA HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2358 . 2 1 14 ALA N N -0.573 15.323 -2.406 . . . 1.0 . . . . . . . . . . . . B . 13 ALA N . . . . . . . . . rr_1pbz 1 . 14 . 2359 . 2 1 14 ALA O O 0.568 18.703 -3.541 . . . 1.0 . . . . . . . . . . . . B . 13 ALA O . . . . . . . . . rr_1pbz 1 . 14 . 2360 . 2 1 15 GLU C C -2.249 19.834 -1.787 . . . 1.0 . . . . . . . . . . . . B . 14 GLU C . . . . . . . . . rr_1pbz 1 . 14 . 2361 . 2 1 15 GLU CA C -2.245 19.311 -3.292 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CA . . . . . . . . . rr_1pbz 1 . 14 . 2362 . 2 1 15 GLU CB C -3.659 19.142 -3.936 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CB . . . . . . . . . rr_1pbz 1 . 14 . 2363 . 2 1 15 GLU CD C -6.026 20.076 -3.405 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CD . . . . . . . . . rr_1pbz 1 . 14 . 2364 . 2 1 15 GLU CG C -4.619 20.371 -3.893 . . . 1.0 . . . . . . . . . . . . B . 14 GLU CG . . . . . . . . . rr_1pbz 1 . 14 . 2365 . 2 1 15 GLU H H -2.029 17.070 -3.295 . . . 1.0 . . . . . . . . . . . . B . 14 GLU H . . . . . . . . . rr_1pbz 1 . 14 . 2366 . 2 1 15 GLU HA H -1.695 20.065 -3.890 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HA . . . . . . . . . rr_1pbz 1 . 14 . 2367 . 2 1 15 GLU HB2 H -3.538 18.834 -4.994 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2368 . 2 1 15 GLU HB3 H -4.156 18.272 -3.464 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2369 . 2 1 15 GLU HG2 H -4.224 21.171 -3.242 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG2 . . . . . . . . . rr_1pbz 1 . 14 . 2370 . 2 1 15 GLU HG3 H -4.703 20.833 -4.891 . . . 1.0 . . . . . . . . . . . . B . 14 GLU HG3 . . . . . . . . . rr_1pbz 1 . 14 . 2371 . 2 1 15 GLU N N -1.572 17.983 -3.436 . . . 1.0 . . . . . . . . . . . . B . 14 GLU N . . . . . . . . . rr_1pbz 1 . 14 . 2372 . 2 1 15 GLU O O -1.530 20.787 -1.475 . . . 1.0 . . . . . . . . . . . . B . 14 GLU O . . . . . . . . . rr_1pbz 1 . 14 . 2373 . 2 1 15 GLU OE1 O -6.890 19.649 -4.199 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE1 . . . . . . . . . rr_1pbz 1 . 14 . 2374 . 2 1 15 GLU OE2 O -6.297 20.236 -2.196 . . . 1.0 . . . . . . . . . . . . B . 14 GLU OE2 . . . . . . . . . rr_1pbz 1 . 14 . 2375 . 2 1 16 ALA C C -2.132 18.892 1.584 . . . 1.0 . . . . . . . . . . . . B . 15 ALA C . . . . . . . . . rr_1pbz 1 . 14 . 2376 . 2 1 16 ALA CA C -3.100 19.646 0.584 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CA . . . . . . . . . rr_1pbz 1 . 14 . 2377 . 2 1 16 ALA CB C -4.586 19.534 0.980 . . . 1.0 . . . . . . . . . . . . B . 15 ALA CB . . . . . . . . . rr_1pbz 1 . 14 . 2378 . 2 1 16 ALA H H -3.702 18.577 -1.293 . . . 1.0 . . . . . . . . . . . . B . 15 ALA H . . . . . . . . . rr_1pbz 1 . 14 . 2379 . 2 1 16 ALA HA H -2.825 20.717 0.670 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HA . . . . . . . . . rr_1pbz 1 . 14 . 2380 . 2 1 16 ALA HB1 H -5.228 20.155 0.326 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB1 . . . . . . . . . rr_1pbz 1 . 14 . 2381 . 2 1 16 ALA HB2 H -4.750 19.882 2.016 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2382 . 2 1 16 ALA HB3 H -4.954 18.493 0.915 . . . 1.0 . . . . . . . . . . . . B . 15 ALA HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2383 . 2 1 16 ALA N N -3.049 19.248 -0.865 . . . 1.0 . . . . . . . . . . . . B . 15 ALA N . . . . . . . . . rr_1pbz 1 . 14 . 2384 . 2 1 16 ALA O O -1.543 19.507 2.476 . . . 1.0 . . . . . . . . . . . . B . 15 ALA O . . . . . . . . . rr_1pbz 1 . 14 . 2385 . 2 1 17 GLY C C 0.389 16.823 1.451 . . . 1.0 . . . . . . . . . . . . B . 16 GLY C . . . . . . . . . rr_1pbz 1 . 14 . 2386 . 2 1 17 GLY CA C -0.991 16.723 2.150 . . . 1.0 . . . . . . . . . . . . B . 16 GLY CA . . . . . . . . . rr_1pbz 1 . 14 . 2387 . 2 1 17 GLY H H -2.322 17.305 0.537 . . . 1.0 . . . . . . . . . . . . B . 16 GLY H . . . . . . . . . rr_1pbz 1 . 14 . 2388 . 2 1 17 GLY HA2 H -0.875 16.928 3.212 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA2 . . . . . . . . . rr_1pbz 1 . 14 . 2389 . 2 1 17 GLY HA3 H -1.328 15.669 2.039 . . . 1.0 . . . . . . . . . . . . B . 16 GLY HA3 . . . . . . . . . rr_1pbz 1 . 14 . 2390 . 2 1 17 GLY N N -2.049 17.553 1.496 . . . 1.0 . . . . . . . . . . . . B . 16 GLY N . . . . . . . . . rr_1pbz 1 . 14 . 2391 . 2 1 17 GLY O O 0.915 17.915 1.231 . . . 1.0 . . . . . . . . . . . . B . 16 GLY O . . . . . . . . . rr_1pbz 1 . 14 . 2392 . 2 1 18 CYS C C 2.313 14.235 -0.563 . . . 1.0 . . . . . . . . . . . . B . 17 CYS C . . . . . . . . . rr_1pbz 1 . 14 . 2393 . 2 1 18 CYS CA C 2.119 15.622 0.143 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CA . . . . . . . . . rr_1pbz 1 . 14 . 2394 . 2 1 18 CYS CB C 3.420 16.142 0.806 . . . 1.0 . . . . . . . . . . . . B . 17 CYS CB . . . . . . . . . rr_1pbz 1 . 14 . 2395 . 2 1 18 CYS H H 0.634 14.833 1.562 . . . 1.0 . . . . . . . . . . . . B . 17 CYS H . . . . . . . . . rr_1pbz 1 . 14 . 2396 . 2 1 18 CYS HA H 1.817 16.311 -0.692 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HA . . . . . . . . . rr_1pbz 1 . 14 . 2397 . 2 1 18 CYS HB2 H 4.101 16.505 0.018 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB2 . . . . . . . . . rr_1pbz 1 . 14 . 2398 . 2 1 18 CYS HB3 H 3.224 17.015 1.455 . . . 1.0 . . . . . . . . . . . . B . 17 CYS HB3 . . . . . . . . . rr_1pbz 1 . 14 . 2399 . 2 1 18 CYS N N 0.970 15.667 1.083 . . . 1.0 . . . . . . . . . . . . B . 17 CYS N . . . . . . . . . rr_1pbz 1 . 14 . 2400 . 2 1 18 CYS O O 2.473 14.148 -1.778 . . . 1.0 . . . . . . . . . . . . B . 17 CYS O . . . . . . . . . rr_1pbz 1 . 14 . 2401 . 2 1 18 CYS SG S 4.301 14.891 1.766 . . . 1.0 . . . . . . . . . . . . B . 17 CYS SG . . . . . . . . . rr_1pbz 1 . 14 . 2402 . 2 1 19 NH2 HN1 H 2.454 13.193 1.121 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN1 . . . . . . . . . rr_1pbz 1 . 14 . 2403 . 2 1 19 NH2 HN2 H 2.722 12.347 -0.486 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 HN2 . . . . . . . . . rr_1pbz 1 . 14 . 2404 . 2 1 19 NH2 N N 2.346 13.093 0.101 . . . 1.0 . . . . . . . . . . . . B . 18 NH2 N . . . . . . . . . rr_1pbz 1 . 14 . 2405 . 3 2 1 PC3 C C -1.642 9.384 1.451 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C . . . . . . . . . rr_1pbz 1 . 14 . 2406 . 3 2 1 PC3 C1 C -2.969 8.789 1.435 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C1 . . . . . . . . . rr_1pbz 1 . 14 . 2407 . 3 2 1 PC3 C10 C 3.716 9.062 0.046 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C10 . . . . . . . . . rr_1pbz 1 . 14 . 2408 . 3 2 1 PC3 C11 C 2.741 1.564 -2.533 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C11 . . . . . . . . . rr_1pbz 1 . 14 . 2409 . 3 2 1 PC3 C12 C -6.384 4.602 0.517 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C12 . . . . . . . . . rr_1pbz 1 . 14 . 2410 . 3 2 1 PC3 C14 C -1.279 10.649 2.269 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C14 . . . . . . . . . rr_1pbz 1 . 14 . 2411 . 3 2 1 PC3 C15 C 0.039 10.743 3.082 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C15 . . . . . . . . . rr_1pbz 1 . 14 . 2412 . 3 2 1 PC3 C16 C 4.708 6.416 -1.714 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C16 . . . . . . . . . rr_1pbz 1 . 14 . 2413 . 3 2 1 PC3 C17 C 4.595 6.599 -3.262 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C17 . . . . . . . . . rr_1pbz 1 . 14 . 2414 . 3 2 1 PC3 C18 C -0.323 0.320 -2.933 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C18 . . . . . . . . . rr_1pbz 1 . 14 . 2415 . 3 2 1 PC3 C19 C -0.259 0.602 -4.449 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C19 . . . . . . . . . rr_1pbz 1 . 14 . 2416 . 3 2 1 PC3 C2 C -5.022 4.430 -0.195 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2 . . . . . . . . . rr_1pbz 1 . 14 . 2417 . 3 2 1 PC3 C21 C 0.407 9.616 4.041 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C21 . . . . . . . . . rr_1pbz 1 . 14 . 2418 . 3 2 1 PC3 C22 C -5.375 4.830 2.944 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C22 . . . . . . . . . rr_1pbz 1 . 14 . 2419 . 3 2 1 PC3 C23 C -0.946 1.899 -4.848 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C23 . . . . . . . . . rr_1pbz 1 . 14 . 2420 . 3 2 1 PC3 C24 C 3.603 5.689 -3.998 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C24 . . . . . . . . . rr_1pbz 1 . 14 . 2421 . 3 2 1 PC3 C2A C -2.811 7.531 0.773 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2A . . . . . . . . . rr_1pbz 1 . 14 . 2422 . 3 2 1 PC3 C2C C -0.832 8.400 0.765 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C2C . . . . . . . . . rr_1pbz 1 . 14 . 2423 . 3 2 1 PC3 C3 C -4.536 3.256 -0.895 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C3 . . . . . . . . . rr_1pbz 1 . 14 . 2424 . 3 2 1 PC3 C4 C 0.082 1.607 -2.237 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4 . . . . . . . . . rr_1pbz 1 . 14 . 2425 . 3 2 1 PC3 C4A C -3.137 3.489 -1.054 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4A . . . . . . . . . rr_1pbz 1 . 14 . 2426 . 3 2 1 PC3 C4C C -3.872 5.277 -0.081 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C4C . . . . . . . . . rr_1pbz 1 . 14 . 2427 . 3 2 1 PC3 C5 C 1.408 2.151 -2.120 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C5 . . . . . . . . . rr_1pbz 1 . 14 . 2428 . 3 2 1 PC3 C6 C 3.381 6.616 -0.945 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6 . . . . . . . . . rr_1pbz 1 . 14 . 2429 . 3 2 1 PC3 C6A C 1.218 3.450 -1.621 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6A . . . . . . . . . rr_1pbz 1 . 14 . 2430 . 3 2 1 PC3 C6C C -0.766 2.637 -1.741 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C6C . . . . . . . . . rr_1pbz 1 . 14 . 2431 . 3 2 1 PC3 C7 C 2.909 7.800 -0.257 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C7 . . . . . . . . . rr_1pbz 1 . 14 . 2432 . 3 2 1 PC3 C8 C -5.339 2.004 -1.252 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8 . . . . . . . . . rr_1pbz 1 . 14 . 2433 . 3 2 1 PC3 C8A C 1.506 7.576 -0.090 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8A . . . . . . . . . rr_1pbz 1 . 14 . 2434 . 3 2 1 PC3 C8C C 2.248 5.753 -0.972 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C8C . . . . . . . . . rr_1pbz 1 . 14 . 2435 . 3 2 1 PC3 C9 C -4.223 9.369 2.095 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 C9 . . . . . . . . . rr_1pbz 1 . 14 . 2436 . 3 2 1 PC3 CA C -3.888 6.598 0.522 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CA . . . . . . . . . rr_1pbz 1 . 14 . 2437 . 3 2 1 PC3 CB C -2.202 2.538 -1.636 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CB . . . . . . . . . rr_1pbz 1 . 14 . 2438 . 3 2 1 PC3 CC C 2.290 4.371 -1.402 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CC . . . . . . . . . rr_1pbz 1 . 14 . 2439 . 3 2 1 PC3 CD C 0.584 8.532 0.491 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CD . . . . . . . . . rr_1pbz 1 . 14 . 2440 . 3 2 1 PC3 CO3 Co -0.822 5.538 -0.585 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CO3 . . . . . . . . . rr_1pbz 1 . 14 . 2441 . 3 2 1 PC3 CX5 C -6.410 4.177 2.020 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 CX5 . . . . . . . . . rr_1pbz 1 . 14 . 2442 . 3 2 1 PC3 H101 H 3.385 9.558 0.978 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H101 . . . . . . . . . rr_1pbz 1 . 14 . 2443 . 3 2 1 PC3 H102 H 4.791 8.839 0.178 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H102 . . . . . . . . . rr_1pbz 1 . 14 . 2444 . 3 2 1 PC3 H103 H 3.640 9.800 -0.774 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H103 . . . . . . . . . rr_1pbz 1 . 14 . 2445 . 3 2 1 PC3 H111 H 3.304 1.153 -1.676 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H111 . . . . . . . . . rr_1pbz 1 . 14 . 2446 . 3 2 1 PC3 H112 H 3.379 2.331 -3.018 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H112 . . . . . . . . . rr_1pbz 1 . 14 . 2447 . 3 2 1 PC3 H113 H 2.619 0.751 -3.272 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H113 . . . . . . . . . rr_1pbz 1 . 14 . 2448 . 3 2 1 PC3 H121 H -6.718 5.653 0.442 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H121 . . . . . . . . . rr_1pbz 1 . 14 . 2449 . 3 2 1 PC3 H122 H -7.162 4.034 -0.027 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H122 . . . . . . . . . rr_1pbz 1 . 14 . 2450 . 3 2 1 PC3 H141 H -1.320 11.522 1.606 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H141 . . . . . . . . . rr_1pbz 1 . 14 . 2451 . 3 2 1 PC3 H142 H -2.088 10.835 3.002 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H142 . . . . . . . . . rr_1pbz 1 . 14 . 2452 . 3 2 1 PC3 H151 H 0.903 10.899 2.420 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H151 . . . . . . . . . rr_1pbz 1 . 14 . 2453 . 3 2 1 PC3 H152 H 0.006 11.668 3.687 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H152 . . . . . . . . . rr_1pbz 1 . 14 . 2454 . 3 2 1 PC3 H161 H 5.478 7.110 -1.328 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H161 . . . . . . . . . rr_1pbz 1 . 14 . 2455 . 3 2 1 PC3 H162 H 5.116 5.409 -1.507 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H162 . . . . . . . . . rr_1pbz 1 . 14 . 2456 . 3 2 1 PC3 H171 H 4.331 7.643 -3.506 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H171 . . . . . . . . . rr_1pbz 1 . 14 . 2457 . 3 2 1 PC3 H172 H 5.584 6.440 -3.729 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H172 . . . . . . . . . rr_1pbz 1 . 14 . 2458 . 3 2 1 PC3 H181 H 0.349 -0.513 -2.660 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H181 . . . . . . . . . rr_1pbz 1 . 14 . 2459 . 3 2 1 PC3 H182 H -1.350 0.031 -2.643 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H182 . . . . . . . . . rr_1pbz 1 . 14 . 2460 . 3 2 1 PC3 H191 H 0.787 0.687 -4.789 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H191 . . . . . . . . . rr_1pbz 1 . 14 . 2461 . 3 2 1 PC3 H192 H -0.701 -0.226 -5.032 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H192 . . . . . . . . . rr_1pbz 1 . 14 . 2462 . 3 2 1 PC3 H221 H -6.286 3.084 2.109 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H221 . . . . . . . . . rr_1pbz 1 . 14 . 2463 . 3 2 1 PC3 H222 H -7.406 4.385 2.449 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H222 . . . . . . . . . rr_1pbz 1 . 14 . 2464 . 3 2 1 PC3 H81 H -6.372 2.265 -1.552 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H81 . . . . . . . . . rr_1pbz 1 . 14 . 2465 . 3 2 1 PC3 H82 H -5.413 1.305 -0.399 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H82 . . . . . . . . . rr_1pbz 1 . 14 . 2466 . 3 2 1 PC3 H83 H -4.899 1.458 -2.106 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H83 . . . . . . . . . rr_1pbz 1 . 14 . 2467 . 3 2 1 PC3 H91 H -4.271 10.470 2.006 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H91 . . . . . . . . . rr_1pbz 1 . 14 . 2468 . 3 2 1 PC3 H92 H -4.236 9.134 3.178 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H92 . . . . . . . . . rr_1pbz 1 . 14 . 2469 . 3 2 1 PC3 H93 H -5.167 8.972 1.682 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 H93 . . . . . . . . . rr_1pbz 1 . 14 . 2470 . 3 2 1 PC3 HA H -4.848 6.897 0.924 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HA . . . . . . . . . rr_1pbz 1 . 14 . 2471 . 3 2 1 PC3 HB H -2.625 1.598 -1.973 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HB . . . . . . . . . rr_1pbz 1 . 14 . 2472 . 3 2 1 PC3 HC H 3.271 4.006 -1.692 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HC . . . . . . . . . rr_1pbz 1 . 14 . 2473 . 3 2 1 PC3 HD H 1.030 9.461 0.814 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 HD . . . . . . . . . rr_1pbz 1 . 14 . 2474 . 3 2 1 PC3 N2B N -1.523 7.258 0.377 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N2B . . . . . . . . . rr_1pbz 1 . 14 . 2475 . 3 2 1 PC3 N4B N -2.717 4.724 -0.593 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N4B . . . . . . . . . rr_1pbz 1 . 14 . 2476 . 3 2 1 PC3 N6B N -0.091 3.774 -1.358 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N6B . . . . . . . . . rr_1pbz 1 . 14 . 2477 . 3 2 1 PC3 N8B N 1.079 6.342 -0.549 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 N8B . . . . . . . . . rr_1pbz 1 . 14 . 2478 . 3 2 1 PC3 O1 O 0.738 9.897 5.206 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O1 . . . . . . . . . rr_1pbz 1 . 14 . 2479 . 3 2 1 PC3 O2 O 0.495 8.449 3.576 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O2 . . . . . . . . . rr_1pbz 1 . 14 . 2480 . 3 2 1 PC3 O22 O -4.216 4.351 2.923 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O22 . . . . . . . . . rr_1pbz 1 . 14 . 2481 . 3 2 1 PC3 O23 O -1.436 2.009 -5.985 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O23 . . . . . . . . . rr_1pbz 1 . 14 . 2482 . 3 2 1 PC3 O3 O -5.653 5.884 3.538 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O3 . . . . . . . . . rr_1pbz 1 . 14 . 2483 . 3 2 1 PC3 O4 O -1.068 2.812 -3.977 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O4 . . . . . . . . . rr_1pbz 1 . 14 . 2484 . 3 2 1 PC3 O5 O 2.400 6.047 -4.007 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O5 . . . . . . . . . rr_1pbz 1 . 14 . 2485 . 3 2 1 PC3 O6 O 3.969 4.570 -4.393 . . . 1.0 . . . . . . . . . . . . A . 20 PC3 O6 . . . . . . . . . rr_1pbz 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_1pbz _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 1pbz.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1pbz 1 1 1pbz.mr . . DISCOVER 2 stereochemistry chirality 'Not applicable' 0 rr_1pbz 1 1 1pbz.mr . . DISCOVER 3 distance 'hydrogen bond' simple 22 rr_1pbz 1 1 1pbz.mr . . DISCOVER 4 distance NOE simple 227 rr_1pbz 1 1 1pbz.mr . . DISCOVER 5 'dihedral angle' 'Not applicable' 'Not applicable' 28 rr_1pbz 1 1 1pbz.mr . . DISCOVER 6 'dihedral angle' 'Not applicable' 'Not applicable' 40 rr_1pbz 1 1 1pbz.mr . . 'MR format' 7 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1pbz 1 stop_ save_ save_Discover_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID rr_1pbz _Gen_dist_constraint_list.ID 2 _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 4 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_1pbz 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 . . 2 1 2 2 CYS HA H . . . 2 1 2 2 CYS H H . . . . . 3.39 0.0 3.39 . . . . . B . 1 CYS HA . . B . 1 CYS H . 1 . 17 CYS HA . . . 1 . 17 CYS HN . . rr_1pbz 1 2 1 . . 2 1 5 5 GLU HA H . . . 2 1 5 5 GLU H H . . . . . 3.44 0.0 3.44 . . . . . B . 4 GLU HA . . B . 4 GLU H . 1 . 20 ALA HA . . . 1 . 20 ALA HN . . rr_1pbz 1 3 1 . . 2 1 6 6 ALA HA H . . . 2 1 6 6 ALA H H . . . . . 3.06 0.0 3.06 . . . . . B . 5 ALA HA . . B . 5 ALA H . 1 . 21 GLU- HA . . . 1 . 21 GLU- HN . . rr_1pbz 1 4 1 . . 2 1 7 7 ALA HA H . . . 2 1 7 7 ALA H H . . . . . 4.12 0.0 4.12 . . . . . B . 6 ALA HA . . B . 6 ALA H . 1 . 22 ALA HA . . . 1 . 22 ALA HN . . rr_1pbz 1 5 1 . . 2 1 8 8 LYS HA H . . . 2 1 8 8 LYS H H . . . . . 3.30 0.0 3.30 . . . . . B . 7 LYS HA . . B . 7 LYS H . 1 . 23 ALA HA . . . 1 . 23 ALA HN . . rr_1pbz 1 6 1 . . 2 1 9 9 ALA HA H . . . 2 1 9 9 ALA H H . . . . . 3.28 0.0 3.28 . . . . . B . 8 ALA HA . . B . 8 ALA H . 1 . 24 LYS+ HA . . . 1 . 24 LYS+ HN . . rr_1pbz 1 7 1 . . 2 1 10 10 HIS HA H . . . 2 1 10 10 HIS H H . . . . . 3.08 0.0 3.08 . . . . . B . 9 HIS HA . . B . 9 HIS H . 1 . 25 ALA HA . . . 1 . 25 ALA HN . . rr_1pbz 1 8 1 . . 2 1 11 11 ALA HA H . . . 2 1 11 11 ALA H H . . . . . 3.12 0.0 3.12 . . . . . B . 10 ALA HA . . B . 10 ALA H . 1 . 26 HISD HA . . . 1 . 26 HISD HN . . rr_1pbz 1 9 1 . . 2 1 12 12 LYS HA H . . . 2 1 12 12 LYS H H . . . . . 3.08 0.0 3.08 . . . . . B . 11 LYS HA . . B . 11 LYS H . 1 . 27 ALA HA . . . 1 . 27 ALA HN . . rr_1pbz 1 10 1 . . 2 1 13 13 ALA HA H . . . 2 1 13 13 ALA H H . . . . . 3.08 0.0 3.08 . . . . . B . 12 ALA HA . . B . 12 ALA H . 1 . 28 LYS+ HA . . . 1 . 28 LYS+ HN . . rr_1pbz 1 11 1 . . 2 1 14 14 ALA HA H . . . 2 1 14 14 ALA H H . . . . . 3.21 0.0 3.21 . . . . . B . 13 ALA HA . . B . 13 ALA H . 1 . 29 ALA HA . . . 1 . 29 ALA HN . . rr_1pbz 1 12 1 . . 2 1 15 15 GLU HA H . . . 2 1 15 15 GLU H H . . . . . 3.21 0.0 3.21 . . . . . B . 14 GLU HA . . B . 14 GLU H . 1 . 30 ALA HA . . . 1 . 30 ALA HN . . rr_1pbz 1 13 1 . . 2 1 16 16 ALA HA H . . . 2 1 16 16 ALA H H . . . . . 3.21 0.0 3.21 . . . . . B . 15 ALA HA . . B . 15 ALA H . 1 . 31 GLU- HA . . . 1 . 31 GLU- HN . . rr_1pbz 1 14 1 . . 2 1 18 18 CYS HA H . . . 2 1 18 18 CYS H H . . . . . 3.08 0.0 3.08 . . . . . B . 17 CYS HA . . B . 17 CYS H . 1 . 33 GLY HA* . . . 1 . 33 GLY HN . . rr_1pbz 1 15 1 OR . 2 1 2 2 CYS H H . . . 2 1 2 2 CYS HB2 H . . . . . 3.59 0.0 3.59 . . . . . B . 1 CYS H . . B . 1 CYS HB2 . 1 . 17 CYS HN . . . 1 . 17 CYS HB* . . rr_1pbz 1 15 2 OR . 2 1 2 2 CYS H H . . . 2 1 2 2 CYS HB3 H . . . . . 3.59 0.0 3.59 . . . . . B . 1 CYS H . . B . 1 CYS HB3 . 1 . 17 CYS HN . . . 1 . 17 CYS HB* . . rr_1pbz 1 16 1 OR . 2 1 5 5 GLU H H . . . 2 1 5 5 GLU HB2 H . . . . . 2.71 0.0 2.71 . . . . . B . 4 GLU H . . B . 4 GLU HB2 . 1 . 20 ALA HN . . . 1 . 20 ALA HB* . . rr_1pbz 1 16 2 OR . 2 1 5 5 GLU H H . . . 2 1 5 5 GLU HB3 H . . . . . 2.71 0.0 2.71 . . . . . B . 4 GLU H . . B . 4 GLU HB3 . 1 . 20 ALA HN . . . 1 . 20 ALA HB* . . rr_1pbz 1 17 1 . . 2 1 6 6 ALA H H . . . 2 1 6 6 ALA MB H . . . . . 2.88 0.0 2.88 . . . . . B . 5 ALA H . . B . 5 ALA MB . 1 . 21 GLU- HN . . . 1 . 21 GLU- HB* . . rr_1pbz 1 18 1 . . 2 1 7 7 ALA H H . . . 2 1 7 7 ALA MB H . . . . . 2.69 0.0 2.69 . . . . . B . 6 ALA H . . B . 6 ALA MB . 1 . 22 ALA HN . . . 1 . 22 ALA HB* . . rr_1pbz 1 19 1 OR . 2 1 8 8 LYS H H . . . 2 1 8 8 LYS HB2 H . . . . . 2.64 0.0 2.64 . . . . . B . 7 LYS H . . B . 7 LYS HB2 . 1 . 23 ALA HN . . . 1 . 23 ALA HB* . . rr_1pbz 1 19 2 OR . 2 1 8 8 LYS H H . . . 2 1 8 8 LYS HB3 H . . . . . 2.64 0.0 2.64 . . . . . B . 7 LYS H . . B . 7 LYS HB3 . 1 . 23 ALA HN . . . 1 . 23 ALA HB* . . rr_1pbz 1 20 1 . . 2 1 9 9 ALA H H . . . 2 1 9 9 ALA MB H . . . . . 2.60 0.0 2.60 . . . . . B . 8 ALA H . . B . 8 ALA MB . 1 . 24 LYS+ HN . . . 1 . 24 LYS+ HB* . . rr_1pbz 1 21 1 OR . 2 1 10 10 HIS H H . . . 2 1 10 10 HIS HB2 H . . . . . 2.69 0.0 2.69 . . . . . B . 9 HIS H . . B . 9 HIS HB2 . 1 . 25 ALA HN . . . 1 . 25 ALA HB* . . rr_1pbz 1 21 2 OR . 2 1 10 10 HIS H H . . . 2 1 10 10 HIS HB3 H . . . . . 2.69 0.0 2.69 . . . . . B . 9 HIS H . . B . 9 HIS HB3 . 1 . 25 ALA HN . . . 1 . 25 ALA HB* . . rr_1pbz 1 22 1 . . 2 1 11 11 ALA H H . . . 2 1 11 11 ALA MB H . . . . . 2.68 0.0 2.68 . . . . . B . 10 ALA H . . B . 10 ALA MB . 1 . 26 HISD HN . . . 1 . 26 HISD HB* . . rr_1pbz 1 23 1 OR . 2 1 12 12 LYS H H . . . 2 1 12 12 LYS HB2 H . . . . . 2.67 0.0 2.67 . . . . . B . 11 LYS H . . B . 11 LYS HB2 . 1 . 27 ALA HN . . . 1 . 27 ALA HB* . . rr_1pbz 1 23 2 OR . 2 1 12 12 LYS H H . . . 2 1 12 12 LYS HB3 H . . . . . 2.67 0.0 2.67 . . . . . B . 11 LYS H . . B . 11 LYS HB3 . 1 . 27 ALA HN . . . 1 . 27 ALA HB* . . rr_1pbz 1 24 1 . . 2 1 13 13 ALA H H . . . 2 1 13 13 ALA MB H . . . . . 2.60 0.0 2.60 . . . . . B . 12 ALA H . . B . 12 ALA MB . 1 . 28 LYS+ HN . . . 1 . 28 LYS+ HB* . . rr_1pbz 1 25 1 . . 2 1 14 14 ALA H H . . . 2 1 14 14 ALA MB H . . . . . 2.76 0.0 2.76 . . . . . B . 13 ALA H . . B . 13 ALA MB . 1 . 29 ALA HN . . . 1 . 29 ALA HB* . . rr_1pbz 1 26 1 OR . 2 1 15 15 GLU H H . . . 2 1 15 15 GLU HB2 H . . . . . 2.62 0.0 2.62 . . . . . B . 14 GLU H . . B . 14 GLU HB2 . 1 . 30 ALA HN . . . 1 . 30 ALA HB* . . rr_1pbz 1 26 2 OR . 2 1 15 15 GLU H H . . . 2 1 15 15 GLU HB3 H . . . . . 2.62 0.0 2.62 . . . . . B . 14 GLU H . . B . 14 GLU HB3 . 1 . 30 ALA HN . . . 1 . 30 ALA HB* . . rr_1pbz 1 27 1 . . 2 1 16 16 ALA H H . . . 2 1 16 16 ALA MB H . . . . . 2.62 0.0 2.62 . . . . . B . 15 ALA H . . B . 15 ALA MB . 1 . 31 GLU- HN . . . 1 . 31 GLU- HB* . . rr_1pbz 1 28 1 OR . 2 1 5 5 GLU HA H . . . 2 1 5 5 GLU HB2 H . . . . . 2.99 0.0 2.99 . . . . . B . 4 GLU HA . . B . 4 GLU HB2 . 1 . 20 ALA HA . . . 1 . 20 ALA HB* . . rr_1pbz 1 28 2 OR . 2 1 5 5 GLU HA H . . . 2 1 5 5 GLU HB3 H . . . . . 2.99 0.0 2.99 . . . . . B . 4 GLU HA . . B . 4 GLU HB3 . 1 . 20 ALA HA . . . 1 . 20 ALA HB* . . rr_1pbz 1 29 1 . . 2 1 6 6 ALA HA H . . . 2 1 6 6 ALA MB H . . . . . 3.08 0.0 3.08 . . . . . B . 5 ALA HA . . B . 5 ALA MB . 1 . 21 GLU- HA . . . 1 . 21 GLU- HB* . . rr_1pbz 1 30 1 . . 2 1 7 7 ALA HA H . . . 2 1 7 7 ALA MB H . . . . . 3.02 0.0 3.02 . . . . . B . 6 ALA HA . . B . 6 ALA MB . 1 . 22 ALA HA . . . 1 . 22 ALA HB* . . rr_1pbz 1 31 1 OR . 2 1 8 8 LYS HA H . . . 2 1 8 8 LYS HB2 H . . . . . 2.88 0.0 2.88 . . . . . B . 7 LYS HA . . B . 7 LYS HB2 . 1 . 23 ALA HA . . . 1 . 23 ALA HB* . . rr_1pbz 1 31 2 OR . 2 1 8 8 LYS HA H . . . 2 1 8 8 LYS HB3 H . . . . . 2.88 0.0 2.88 . . . . . B . 7 LYS HA . . B . 7 LYS HB3 . 1 . 23 ALA HA . . . 1 . 23 ALA HB* . . rr_1pbz 1 32 1 . . 2 1 9 9 ALA HA H . . . 2 1 9 9 ALA MB H . . . . . 3.01 0.0 3.01 . . . . . B . 8 ALA HA . . B . 8 ALA MB . 1 . 24 LYS+ HA . . . 1 . 24 LYS+ HB* . . rr_1pbz 1 33 1 OR . 2 1 10 10 HIS HA H . . . 2 1 10 10 HIS HB2 H . . . . . 2.88 0.0 2.88 . . . . . B . 9 HIS HA . . B . 9 HIS HB2 . 1 . 25 ALA HA . . . 1 . 25 ALA HB* . . rr_1pbz 1 33 2 OR . 2 1 10 10 HIS HA H . . . 2 1 10 10 HIS HB3 H . . . . . 2.88 0.0 2.88 . . . . . B . 9 HIS HA . . B . 9 HIS HB3 . 1 . 25 ALA HA . . . 1 . 25 ALA HB* . . rr_1pbz 1 34 1 . . 2 1 11 11 ALA HA H . . . 2 1 11 11 ALA MB H . . . . . 2.99 0.0 2.99 . . . . . B . 10 ALA HA . . B . 10 ALA MB . 1 . 26 HISD HA . . . 1 . 26 HISD HB* . . rr_1pbz 1 35 1 OR . 2 1 12 12 LYS HA H . . . 2 1 12 12 LYS HB2 H . . . . . 3.02 0.0 3.02 . . . . . B . 11 LYS HA . . B . 11 LYS HB2 . 1 . 27 ALA HA . . . 1 . 27 ALA HB* . . rr_1pbz 1 35 2 OR . 2 1 12 12 LYS HA H . . . 2 1 12 12 LYS HB3 H . . . . . 3.02 0.0 3.02 . . . . . B . 11 LYS HA . . B . 11 LYS HB3 . 1 . 27 ALA HA . . . 1 . 27 ALA HB* . . rr_1pbz 1 36 1 . . 2 1 13 13 ALA HA H . . . 2 1 13 13 ALA MB H . . . . . 3.59 0.0 3.59 . . . . . B . 12 ALA HA . . B . 12 ALA MB . 1 . 28 LYS+ HA . . . 1 . 28 LYS+ HB* . . rr_1pbz 1 37 1 . . 2 1 14 14 ALA HA H . . . 2 1 14 14 ALA MB H . . . . . 3.30 0.0 3.30 . . . . . B . 13 ALA HA . . B . 13 ALA MB . 1 . 29 ALA HA . . . 1 . 29 ALA HB* . . rr_1pbz 1 38 1 OR . 2 1 15 15 GLU HA H . . . 2 1 15 15 GLU HB2 H . . . . . 2.91 0.0 2.91 . . . . . B . 14 GLU HA . . B . 14 GLU HB2 . 1 . 30 ALA HA . . . 1 . 30 ALA HB* . . rr_1pbz 1 38 2 OR . 2 1 15 15 GLU HA H . . . 2 1 15 15 GLU HB3 H . . . . . 2.91 0.0 2.91 . . . . . B . 14 GLU HA . . B . 14 GLU HB3 . 1 . 30 ALA HA . . . 1 . 30 ALA HB* . . rr_1pbz 1 39 1 . . 2 1 5 5 GLU HA H . . . 2 1 6 6 ALA H H . . . . . 3.82 0.0 3.82 . . . . . B . 4 GLU HA . . B . 5 ALA H . 1 . 20 ALA HA . . . 1 . 21 GLU- HN . . rr_1pbz 1 40 1 . . 2 1 6 6 ALA HA H . . . 2 1 7 7 ALA H H . . . . . 3.24 0.0 3.24 . . . . . B . 5 ALA HA . . B . 6 ALA H . 1 . 21 GLU- HA . . . 1 . 22 ALA HN . . rr_1pbz 1 41 1 . . 2 1 7 7 ALA HA H . . . 2 1 8 8 LYS H H . . . . . 4.14 0.0 4.14 . . . . . B . 6 ALA HA . . B . 7 LYS H . 1 . 22 ALA HA . . . 1 . 23 ALA HN . . rr_1pbz 1 42 1 . . 2 1 8 8 LYS HA H . . . 2 1 9 9 ALA H H . . . . . 4.41 0.0 4.41 . . . . . B . 7 LYS HA . . B . 8 ALA H . 1 . 23 ALA HA . . . 1 . 24 LYS+ HN . . rr_1pbz 1 43 1 . . 2 1 9 9 ALA HA H . . . 2 1 10 10 HIS H H . . . . . 4.15 0.0 4.15 . . . . . B . 8 ALA HA . . B . 9 HIS H . 1 . 24 LYS+ HA . . . 1 . 25 ALA HN . . rr_1pbz 1 44 1 . . 2 1 10 10 HIS HA H . . . 2 1 11 11 ALA H H . . . . . 4.02 0.0 4.02 . . . . . B . 9 HIS HA . . B . 10 ALA H . 1 . 25 ALA HA . . . 1 . 26 HISD HN . . rr_1pbz 1 45 1 . . 2 1 11 11 ALA HA H . . . 2 1 12 12 LYS H H . . . . . 3.80 0.0 3.80 . . . . . B . 10 ALA HA . . B . 11 LYS H . 1 . 26 HISD HA . . . 1 . 27 ALA HN . . rr_1pbz 1 46 1 . . 2 1 12 12 LYS HA H . . . 2 1 13 13 ALA H H . . . . . 3.48 0.0 3.48 . . . . . B . 11 LYS HA . . B . 12 ALA H . 1 . 27 ALA HA . . . 1 . 28 LYS+ HN . . rr_1pbz 1 47 1 . . 2 1 13 13 ALA HA H . . . 2 1 14 14 ALA H H . . . . . 3.74 0.0 3.74 . . . . . B . 12 ALA HA . . B . 13 ALA H . 1 . 28 LYS+ HA . . . 1 . 29 ALA HN . . rr_1pbz 1 48 1 . . 2 1 14 14 ALA HA H . . . 2 1 15 15 GLU H H . . . . . 3.83 0.0 3.83 . . . . . B . 13 ALA HA . . B . 14 GLU H . 1 . 29 ALA HA . . . 1 . 30 ALA HN . . rr_1pbz 1 49 1 . . 2 1 15 15 GLU HA H . . . 2 1 16 16 ALA H H . . . . . 3.83 0.0 3.83 . . . . . B . 14 GLU HA . . B . 15 ALA H . 1 . 30 ALA HA . . . 1 . 31 GLU- HN . . rr_1pbz 1 50 1 . . 2 1 16 16 ALA HA H . . . 2 1 17 17 GLY H H . . . . . 3.83 0.0 3.83 . . . . . B . 15 ALA HA . . B . 16 GLY H . 1 . 31 GLU- HA . . . 1 . 32 ALA HN . . rr_1pbz 1 51 1 . . 2 1 5 5 GLU H H . . . 2 1 6 6 ALA H H . . . . . 3.46 0.0 3.46 . . . . . B . 4 GLU H . . B . 5 ALA H . 1 . 20 ALA HN . . . 1 . 21 GLU- HN . . rr_1pbz 1 52 1 . . 2 1 6 6 ALA H H . . . 2 1 7 7 ALA H H . . . . . 3.48 0.0 3.48 . . . . . B . 5 ALA H . . B . 6 ALA H . 1 . 21 GLU- HN . . . 1 . 22 ALA HN . . rr_1pbz 1 53 1 . . 2 1 7 7 ALA H H . . . 2 1 8 8 LYS H H . . . . . 3.46 0.0 3.46 . . . . . B . 6 ALA H . . B . 7 LYS H . 1 . 22 ALA HN . . . 1 . 23 ALA HN . . rr_1pbz 1 54 1 . . 2 1 10 10 HIS H H . . . 2 1 11 11 ALA H H . . . . . 3.23 0.0 3.23 . . . . . B . 9 HIS H . . B . 10 ALA H . 1 . 25 ALA HN . . . 1 . 26 HISD HN . . rr_1pbz 1 55 1 . . 2 1 11 11 ALA H H . . . 2 1 12 12 LYS H H . . . . . 4.79 0.0 4.79 . . . . . B . 10 ALA H . . B . 11 LYS H . 1 . 26 HISD HN . . . 1 . 27 ALA HN . . rr_1pbz 1 56 1 . . 2 1 12 12 LYS H H . . . 2 1 13 13 ALA H H . . . . . 3.79 0.0 3.79 . . . . . B . 11 LYS H . . B . 12 ALA H . 1 . 27 ALA HN . . . 1 . 28 LYS+ HN . . rr_1pbz 1 57 1 . . 2 1 13 13 ALA H H . . . 2 1 14 14 ALA H H . . . . . 3.00 0.0 3.00 . . . . . B . 12 ALA H . . B . 13 ALA H . 1 . 28 LYS+ HN . . . 1 . 29 ALA HN . . rr_1pbz 1 58 1 . . 2 1 14 14 ALA H H . . . 2 1 15 15 GLU H H . . . . . 3.53 0.0 3.53 . . . . . B . 13 ALA H . . B . 14 GLU H . 1 . 29 ALA HN . . . 1 . 30 ALA HN . . rr_1pbz 1 59 1 . . 2 1 15 15 GLU H H . . . 2 1 16 16 ALA H H . . . . . 3.62 0.0 3.62 . . . . . B . 14 GLU H . . B . 15 ALA H . 1 . 30 ALA HN . . . 1 . 31 GLU- HN . . rr_1pbz 1 60 1 . . 2 1 16 16 ALA H H . . . 2 1 17 17 GLY H H . . . . . 3.09 0.0 3.09 . . . . . B . 15 ALA H . . B . 16 GLY H . 1 . 31 GLU- HN . . . 1 . 32 ALA HN . . rr_1pbz 1 61 1 . . 2 1 17 17 GLY H H . . . 2 1 18 18 CYS H H . . . . . 3.29 0.0 3.29 . . . . . B . 16 GLY H . . B . 17 CYS H . 1 . 32 ALA HN . . . 1 . 33 GLY HN . . rr_1pbz 1 62 1 OR . 2 1 6 6 ALA H H . . . 2 1 5 5 GLU HB2 H . . . . . 3.87 0.0 3.87 . . . . . B . 5 ALA H . . B . 4 GLU HB2 . 1 . 21 GLU- HN . . . 1 . 20 ALA HB* . . rr_1pbz 1 62 2 OR . 2 1 6 6 ALA H H . . . 2 1 5 5 GLU HB3 H . . . . . 3.87 0.0 3.87 . . . . . B . 5 ALA H . . B . 4 GLU HB3 . 1 . 21 GLU- HN . . . 1 . 20 ALA HB* . . rr_1pbz 1 63 1 . . 2 1 7 7 ALA H H . . . 2 1 6 6 ALA MB H . . . . . 3.24 0.0 3.24 . . . . . B . 6 ALA H . . B . 5 ALA MB . 1 . 22 ALA HN . . . 1 . 21 GLU- HB* . . rr_1pbz 1 64 1 . . 2 1 8 8 LYS H H . . . 2 1 7 7 ALA MB H . . . . . 3.04 0.0 3.04 . . . . . B . 7 LYS H . . B . 6 ALA MB . 1 . 23 ALA HN . . . 1 . 22 ALA HB* . . rr_1pbz 1 65 1 OR . 2 1 9 9 ALA H H . . . 2 1 8 8 LYS HB2 H . . . . . 2.91 0.0 2.91 . . . . . B . 8 ALA H . . B . 7 LYS HB2 . 1 . 24 LYS+ HN . . . 1 . 23 ALA HB* . . rr_1pbz 1 65 2 OR . 2 1 9 9 ALA H H . . . 2 1 8 8 LYS HB3 H . . . . . 2.91 0.0 2.91 . . . . . B . 8 ALA H . . B . 7 LYS HB3 . 1 . 24 LYS+ HN . . . 1 . 23 ALA HB* . . rr_1pbz 1 66 1 . . 2 1 10 10 HIS H H . . . 2 1 9 9 ALA MB H . . . . . 3.17 0.0 3.17 . . . . . B . 9 HIS H . . B . 8 ALA MB . 1 . 25 ALA HN . . . 1 . 24 LYS+ HB* . . rr_1pbz 1 67 1 OR . 2 1 11 11 ALA H H . . . 2 1 10 10 HIS HB2 H . . . . . 3.71 0.0 3.71 . . . . . B . 10 ALA H . . B . 9 HIS HB2 . 1 . 26 HISD HN . . . 1 . 25 ALA HB* . . rr_1pbz 1 67 2 OR . 2 1 11 11 ALA H H . . . 2 1 10 10 HIS HB3 H . . . . . 3.71 0.0 3.71 . . . . . B . 10 ALA H . . B . 9 HIS HB3 . 1 . 26 HISD HN . . . 1 . 25 ALA HB* . . rr_1pbz 1 68 1 . . 2 1 12 12 LYS H H . . . 2 1 11 11 ALA MB H . . . . . 3.49 0.0 3.49 . . . . . B . 11 LYS H . . B . 10 ALA MB . 1 . 27 ALA HN . . . 1 . 26 HISD HB* . . rr_1pbz 1 69 1 OR . 2 1 13 13 ALA H H . . . 2 1 12 12 LYS HB2 H . . . . . 3.18 0.0 3.18 . . . . . B . 12 ALA H . . B . 11 LYS HB2 . 1 . 28 LYS+ HN . . . 1 . 27 ALA HB* . . rr_1pbz 1 69 2 OR . 2 1 13 13 ALA H H . . . 2 1 12 12 LYS HB3 H . . . . . 3.18 0.0 3.18 . . . . . B . 12 ALA H . . B . 11 LYS HB3 . 1 . 28 LYS+ HN . . . 1 . 27 ALA HB* . . rr_1pbz 1 70 1 . . 2 1 14 14 ALA H H . . . 2 1 13 13 ALA MB H . . . . . 3.06 0.0 3.06 . . . . . B . 13 ALA H . . B . 12 ALA MB . 1 . 29 ALA HN . . . 1 . 28 LYS+ HB* . . rr_1pbz 1 71 1 . . 2 1 15 15 GLU H H . . . 2 1 14 14 ALA MB H . . . . . 3.37 0.0 3.37 . . . . . B . 14 GLU H . . B . 13 ALA MB . 1 . 30 ALA HN . . . 1 . 29 ALA HB* . . rr_1pbz 1 72 1 . . 2 1 5 5 GLU HA H . . . 2 1 8 8 LYS H H . . . . . 4.52 0.0 4.52 . . . . . B . 4 GLU HA . . B . 7 LYS H . 1 . 20 ALA HA . . . 1 . 23 ALA HN . . rr_1pbz 1 73 1 . . 2 1 6 6 ALA HA H . . . 2 1 9 9 ALA H H . . . . . 4.35 0.0 4.35 . . . . . B . 5 ALA HA . . B . 8 ALA H . 1 . 21 GLU- HA . . . 1 . 24 LYS+ HN . . rr_1pbz 1 74 1 . . 2 1 7 7 ALA HA H . . . 2 1 10 10 HIS H H . . . . . 4.59 0.0 4.59 . . . . . B . 6 ALA HA . . B . 9 HIS H . 1 . 22 ALA HA . . . 1 . 25 ALA HN . . rr_1pbz 1 75 1 . . 2 1 8 8 LYS HA H . . . 2 1 11 11 ALA H H . . . . . 4.69 0.0 4.69 . . . . . B . 7 LYS HA . . B . 10 ALA H . 1 . 23 ALA HA . . . 1 . 26 HISD HN . . rr_1pbz 1 76 1 . . 2 1 9 9 ALA HA H . . . 2 1 12 12 LYS H H . . . . . 4.96 0.0 4.96 . . . . . B . 8 ALA HA . . B . 11 LYS H . 1 . 24 LYS+ HA . . . 1 . 27 ALA HN . . rr_1pbz 1 77 1 . . 2 1 10 10 HIS HA H . . . 2 1 13 13 ALA H H . . . . . 4.69 0.0 4.69 . . . . . B . 9 HIS HA . . B . 12 ALA H . 1 . 25 ALA HA . . . 1 . 28 LYS+ HN . . rr_1pbz 1 78 1 . . 2 1 11 11 ALA HA H . . . 2 1 14 14 ALA H H . . . . . 4.78 0.0 4.78 . . . . . B . 10 ALA HA . . B . 13 ALA H . 1 . 26 HISD HA . . . 1 . 29 ALA HN . . rr_1pbz 1 79 1 . . 2 1 12 12 LYS HA H . . . 2 1 15 15 GLU H H . . . . . 4.63 0.0 4.63 . . . . . B . 11 LYS HA . . B . 14 GLU H . 1 . 27 ALA HA . . . 1 . 30 ALA HN . . rr_1pbz 1 80 1 . . 2 1 13 13 ALA HA H . . . 2 1 16 16 ALA H H . . . . . 3.95 0.0 3.95 . . . . . B . 12 ALA HA . . B . 15 ALA H . 1 . 28 LYS+ HA . . . 1 . 31 GLU- HN . . rr_1pbz 1 81 1 . . 2 1 15 15 GLU H H . . . 2 1 18 18 CYS HA H . . . . . 5.00 0.0 5.00 . . . . . B . 14 GLU H . . B . 17 CYS HA . 1 . 30 ALA HN . . . 1 . 33 GLY HA* . . rr_1pbz 1 82 1 OR . 2 1 8 8 LYS H H . . . 2 1 5 5 GLU HB2 H . . . . . 3.90 0.0 4.99 . . . . . B . 7 LYS H . . B . 4 GLU HB2 . 1 . 23 ALA HN . . . 1 . 20 ALA HB* . . rr_1pbz 1 82 2 OR . 2 1 8 8 LYS H H . . . 2 1 5 5 GLU HB3 H . . . . . 3.90 0.0 4.99 . . . . . B . 7 LYS H . . B . 4 GLU HB3 . 1 . 23 ALA HN . . . 1 . 20 ALA HB* . . rr_1pbz 1 83 1 . . 2 1 9 9 ALA H H . . . 2 1 6 6 ALA MB H . . . . . 6.79 0.0 6.79 . . . . . B . 8 ALA H . . B . 5 ALA MB . 1 . 24 LYS+ HN . . . 1 . 21 GLU- HB* . . rr_1pbz 1 84 1 OR . 2 1 11 11 ALA H H . . . 2 1 8 8 LYS HB2 H . . . . . 3.90 0.0 4.99 . . . . . B . 10 ALA H . . B . 7 LYS HB2 . 1 . 26 HISD HN . . . 1 . 23 ALA HB* . . rr_1pbz 1 84 2 OR . 2 1 11 11 ALA H H . . . 2 1 8 8 LYS HB3 H . . . . . 3.90 0.0 4.99 . . . . . B . 10 ALA H . . B . 7 LYS HB3 . 1 . 26 HISD HN . . . 1 . 23 ALA HB* . . rr_1pbz 1 85 1 OR . 2 1 13 13 ALA H H . . . 2 1 10 10 HIS HB2 H . . . . . 4.20 0.0 4.99 . . . . . B . 12 ALA H . . B . 9 HIS HB2 . 1 . 28 LYS+ HN . . . 1 . 25 ALA HB* . . rr_1pbz 1 85 2 OR . 2 1 13 13 ALA H H . . . 2 1 10 10 HIS HB3 H . . . . . 4.20 0.0 4.99 . . . . . B . 12 ALA H . . B . 9 HIS HB3 . 1 . 28 LYS+ HN . . . 1 . 25 ALA HB* . . rr_1pbz 1 86 1 OR . 2 1 5 5 GLU HA H . . . 2 1 8 8 LYS HB2 H . . . . . 3.77 0.0 3.77 . . . . . B . 4 GLU HA . . B . 7 LYS HB2 . 1 . 20 ALA HA . . . 1 . 23 ALA HB* . . rr_1pbz 1 86 2 OR . 2 1 5 5 GLU HA H . . . 2 1 8 8 LYS HB3 H . . . . . 3.77 0.0 3.77 . . . . . B . 4 GLU HA . . B . 7 LYS HB3 . 1 . 20 ALA HA . . . 1 . 23 ALA HB* . . rr_1pbz 1 87 1 . . 2 1 6 6 ALA HA H . . . 2 1 9 9 ALA MB H . . . . . 3.14 0.0 3.14 . . . . . B . 5 ALA HA . . B . 8 ALA MB . 1 . 21 GLU- HA . . . 1 . 24 LYS+ HB* . . rr_1pbz 1 88 1 OR . 2 1 7 7 ALA HA H . . . 2 1 10 10 HIS HB2 H . . . . . 3.79 0.0 3.79 . . . . . B . 6 ALA HA . . B . 9 HIS HB2 . 1 . 22 ALA HA . . . 1 . 25 ALA HB* . . rr_1pbz 1 88 2 OR . 2 1 7 7 ALA HA H . . . 2 1 10 10 HIS HB3 H . . . . . 3.79 0.0 3.79 . . . . . B . 6 ALA HA . . B . 9 HIS HB3 . 1 . 22 ALA HA . . . 1 . 25 ALA HB* . . rr_1pbz 1 89 1 . . 2 1 8 8 LYS HA H . . . 2 1 11 11 ALA MB H . . . . . 3.42 0.0 3.42 . . . . . B . 7 LYS HA . . B . 10 ALA MB . 1 . 23 ALA HA . . . 1 . 26 HISD HB* . . rr_1pbz 1 90 1 OR . 2 1 9 9 ALA HA H . . . 2 1 12 12 LYS HB2 H . . . . . 3.42 0.0 3.42 . . . . . B . 8 ALA HA . . B . 11 LYS HB2 . 1 . 24 LYS+ HA . . . 1 . 27 ALA HB* . . rr_1pbz 1 90 2 OR . 2 1 9 9 ALA HA H . . . 2 1 12 12 LYS HB3 H . . . . . 3.42 0.0 3.42 . . . . . B . 8 ALA HA . . B . 11 LYS HB3 . 1 . 24 LYS+ HA . . . 1 . 27 ALA HB* . . rr_1pbz 1 91 1 . . 2 1 10 10 HIS HA H . . . 2 1 13 13 ALA MB H . . . . . 3.20 0.0 3.20 . . . . . B . 9 HIS HA . . B . 12 ALA MB . 1 . 25 ALA HA . . . 1 . 28 LYS+ HB* . . rr_1pbz 1 92 1 . . 2 1 11 11 ALA HA H . . . 2 1 14 14 ALA MB H . . . . . 3.86 0.0 3.86 . . . . . B . 10 ALA HA . . B . 13 ALA MB . 1 . 26 HISD HA . . . 1 . 29 ALA HB* . . rr_1pbz 1 93 1 OR . 2 1 12 12 LYS HA H . . . 2 1 15 15 GLU HB2 H . . . . . 3.34 0.0 3.34 . . . . . B . 11 LYS HA . . B . 14 GLU HB2 . 1 . 27 ALA HA . . . 1 . 30 ALA HB* . . rr_1pbz 1 93 2 OR . 2 1 12 12 LYS HA H . . . 2 1 15 15 GLU HB3 H . . . . . 3.34 0.0 3.34 . . . . . B . 11 LYS HA . . B . 14 GLU HB3 . 1 . 27 ALA HA . . . 1 . 30 ALA HB* . . rr_1pbz 1 94 1 . . 2 1 13 13 ALA HA H . . . 2 1 16 16 ALA MB H . . . . . 3.79 0.0 3.79 . . . . . B . 12 ALA HA . . B . 15 ALA MB . 1 . 28 LYS+ HA . . . 1 . 31 GLU- HB* . . rr_1pbz 1 95 1 . . 2 1 8 8 LYS HA H . . . 2 1 7 7 ALA MB H . . . . . 3.98 0.0 3.98 . . . . . B . 7 LYS HA . . B . 6 ALA MB . 1 . 23 ALA HA . . . 1 . 22 ALA HB* . . rr_1pbz 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 NOE_distance 2 1 2 21 rr_1pbz 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 4 1 1 "Not handling restraint 1, item 1, resonance(s) 'D.1.HA' (nmrStar names),'D.1.HN' (nmrStar names) not linked" rr_1pbz 1 2 4 2 1 "Not handling restraint 2, item 1, resonance(s) '1.2.HA*' (nmrStar names),'1.2.HN' (nmrStar names) not linked" rr_1pbz 1 3 4 3 1 "Not handling restraint 3, item 1, resonance(s) '1.3.HA' (nmrStar names),'1.3.HN' (nmrStar names) not linked" rr_1pbz 1 4 4 4 1 "Not handling restraint 4, item 1, resonance(s) '1.4.HA' (nmrStar names),'1.4.HN' (nmrStar names) not linked" rr_1pbz 1 5 4 5 1 "Not handling restraint 5, item 1, resonance(s) '1.5.HA' (nmrStar names),'1.5.HN' (nmrStar names) not linked" rr_1pbz 1 6 4 6 1 "Not handling restraint 6, item 1, resonance(s) '1.6.HA' (nmrStar names),'1.6.HN' (nmrStar names) not linked" rr_1pbz 1 7 4 7 1 "Not handling restraint 7, item 1, resonance(s) '1.7.HA' (nmrStar names),'1.7.HN' (nmrStar names) not linked" rr_1pbz 1 8 4 8 1 "Not handling restraint 8, item 1, resonance(s) '1.8.HA' (nmrStar names),'1.8.HN' (nmrStar names) not linked" rr_1pbz 1 9 4 9 1 "Not handling restraint 9, item 1, resonance(s) '1.9.HA' (nmrStar names),'1.9.HN' (nmrStar names) not linked" rr_1pbz 1 10 4 10 1 "Not handling restraint 10, item 1, resonance(s) '1.10.HA' (nmrStar names),'1.10.HN' (nmrStar names) not linked" rr_1pbz 1 11 4 11 1 "Not handling restraint 11, item 1, resonance(s) '1.11.HA' (nmrStar names),'1.11.HN' (nmrStar names) not linked" rr_1pbz 1 12 4 12 1 "Not handling restraint 12, item 1, resonance(s) '1.12.HA' (nmrStar names),'1.12.HN' (nmrStar names) not linked" rr_1pbz 1 13 4 13 1 "Not handling restraint 13, item 1, resonance(s) '1.13.HA' (nmrStar names),'1.13.HN' (nmrStar names) not linked" rr_1pbz 1 14 4 14 1 "Not handling restraint 14, item 1, resonance(s) '1.14.HA' (nmrStar names),'1.14.HN' (nmrStar names) not linked" rr_1pbz 1 15 4 15 1 "Not handling restraint 15, item 1, resonance(s) '1.15.HA' (nmrStar names),'1.15.HN' (nmrStar names) not linked" rr_1pbz 1 16 4 16 1 "Not handling restraint 16, item 1, resonance(s) '1.16.HA*' (nmrStar names),'1.16.HN' (nmrStar names) not linked" rr_1pbz 1 17 4 18 1 "Not handling restraint 18, item 1, resonance(s) 'C.1.HA' (nmrStar names),'C.1.HN' (nmrStar names) not linked" rr_1pbz 1 18 4 19 1 "Not handling restraint 19, item 1, resonance(s) 'B.2.HA*' (nmrStar names),'B.2.HN' (nmrStar names) not linked" rr_1pbz 1 19 4 32 1 "Not handling restraint 32, item 1, resonance(s) '1.32.HA' (nmrStar names) not linked" rr_1pbz 1 20 4 34 1 "Not handling restraint 34, item 1, resonance(s) '1.34.HA' (nmrStar names),'1.34.HN' (nmrStar names) not linked" rr_1pbz 1 21 4 35 1 "Not handling restraint 35, item 1, resonance(s) 'D.1.HN' (nmrStar names),'D.1.HB*' (nmrStar names) not linked" rr_1pbz 1 22 4 36 1 "Not handling restraint 36, item 1, resonance(s) '1.3.HN' (nmrStar names),'1.3.HB*' (nmrStar names) not linked" rr_1pbz 1 23 4 37 1 "Not handling restraint 37, item 1, resonance(s) '1.4.HN' (nmrStar names),'1.4.HB*' (nmrStar names) not linked" rr_1pbz 1 24 4 38 1 "Not handling restraint 38, item 1, resonance(s) '1.5.HN' (nmrStar names),'1.5.HB*' (nmrStar names) not linked" rr_1pbz 1 25 4 39 1 "Not handling restraint 39, item 1, resonance(s) '1.6.HN' (nmrStar names),'1.6.HB*' (nmrStar names) not linked" rr_1pbz 1 26 4 40 1 "Not handling restraint 40, item 1, resonance(s) '1.7.HN' (nmrStar names),'1.7.HB*' (nmrStar names) not linked" rr_1pbz 1 27 4 41 1 "Not handling restraint 41, item 1, resonance(s) '1.8.HN' (nmrStar names),'1.8.HB*' (nmrStar names) not linked" rr_1pbz 1 28 4 42 1 "Not handling restraint 42, item 1, resonance(s) '1.9.HN' (nmrStar names),'1.9.HB*' (nmrStar names) not linked" rr_1pbz 1 29 4 43 1 "Not handling restraint 43, item 1, resonance(s) '1.10.HN' (nmrStar names),'1.10.HB*' (nmrStar names) not linked" rr_1pbz 1 30 4 44 1 "Not handling restraint 44, item 1, resonance(s) '1.11.HN' (nmrStar names),'1.11.HB*' (nmrStar names) not linked" rr_1pbz 1 31 4 45 1 "Not handling restraint 45, item 1, resonance(s) '1.12.HN' (nmrStar names),'1.12.HB*' (nmrStar names) not linked" rr_1pbz 1 32 4 46 1 "Not handling restraint 46, item 1, resonance(s) '1.13.HN' (nmrStar names),'1.13.HB*' (nmrStar names) not linked" rr_1pbz 1 33 4 47 1 "Not handling restraint 47, item 1, resonance(s) '1.14.HN' (nmrStar names),'1.14.HB*' (nmrStar names) not linked" rr_1pbz 1 34 4 48 1 "Not handling restraint 48, item 1, resonance(s) '1.15.HN' (nmrStar names),'1.15.HB*' (nmrStar names) not linked" rr_1pbz 1 35 4 50 1 "Not handling restraint 50, item 1, resonance(s) 'C.1.HN' (nmrStar names),'C.1.HB*' (nmrStar names) not linked" rr_1pbz 1 36 4 63 1 "Not handling restraint 63, item 1, resonance(s) '1.32.HB*' (nmrStar names) not linked" rr_1pbz 1 37 4 64 1 "Not handling restraint 64, item 1, resonance(s) '1.34.HN' (nmrStar names),'1.34.HB*' (nmrStar names) not linked" rr_1pbz 1 38 4 65 1 "Not handling restraint 65, item 1, resonance(s) '1.3.HA' (nmrStar names),'1.3.HB*' (nmrStar names) not linked" rr_1pbz 1 39 4 66 1 "Not handling restraint 66, item 1, resonance(s) '1.4.HA' (nmrStar names),'1.4.HB*' (nmrStar names) not linked" rr_1pbz 1 40 4 67 1 "Not handling restraint 67, item 1, resonance(s) '1.5.HA' (nmrStar names),'1.5.HB*' (nmrStar names) not linked" rr_1pbz 1 41 4 68 1 "Not handling restraint 68, item 1, resonance(s) '1.6.HA' (nmrStar names),'1.6.HB*' (nmrStar names) not linked" rr_1pbz 1 42 4 69 1 "Not handling restraint 69, item 1, resonance(s) '1.7.HA' (nmrStar names),'1.7.HB*' (nmrStar names) not linked" rr_1pbz 1 43 4 70 1 "Not handling restraint 70, item 1, resonance(s) '1.8.HA' (nmrStar names),'1.8.HB*' (nmrStar names) not linked" rr_1pbz 1 44 4 71 1 "Not handling restraint 71, item 1, resonance(s) '1.9.HA' (nmrStar names),'1.9.HB*' (nmrStar names) not linked" rr_1pbz 1 45 4 72 1 "Not handling restraint 72, item 1, resonance(s) '1.10.HA' (nmrStar names),'1.10.HB*' (nmrStar names) not linked" rr_1pbz 1 46 4 73 1 "Not handling restraint 73, item 1, resonance(s) '1.11.HA' (nmrStar names),'1.11.HB*' (nmrStar names) not linked" rr_1pbz 1 47 4 74 1 "Not handling restraint 74, item 1, resonance(s) '1.12.HA' (nmrStar names),'1.12.HB*' (nmrStar names) not linked" rr_1pbz 1 48 4 75 1 "Not handling restraint 75, item 1, resonance(s) '1.13.HA' (nmrStar names),'1.13.HB*' (nmrStar names) not linked" rr_1pbz 1 49 4 76 1 "Not handling restraint 76, item 1, resonance(s) '1.14.HA' (nmrStar names),'1.14.HB*' (nmrStar names) not linked" rr_1pbz 1 50 4 77 1 "Not handling restraint 77, item 1, resonance(s) '1.15.HA' (nmrStar names),'1.15.HB*' (nmrStar names) not linked" rr_1pbz 1 51 4 89 1 "Not handling restraint 89, item 1, resonance(s) 'D.1.HA' (nmrStar names),'1.2.HN' (nmrStar names) not linked" rr_1pbz 1 52 4 90 1 "Not handling restraint 90, item 1, resonance(s) '1.2.HA*' (nmrStar names),'1.3.HN' (nmrStar names) not linked" rr_1pbz 1 53 4 91 1 "Not handling restraint 91, item 1, resonance(s) '1.3.HA' (nmrStar names),'1.4.HN' (nmrStar names) not linked" rr_1pbz 1 54 4 92 1 "Not handling restraint 92, item 1, resonance(s) '1.4.HA' (nmrStar names),'1.5.HN' (nmrStar names) not linked" rr_1pbz 1 55 4 93 1 "Not handling restraint 93, item 1, resonance(s) '1.5.HA' (nmrStar names),'1.6.HN' (nmrStar names) not linked" rr_1pbz 1 56 4 94 1 "Not handling restraint 94, item 1, resonance(s) '1.6.HA' (nmrStar names),'1.7.HN' (nmrStar names) not linked" rr_1pbz 1 57 4 95 1 "Not handling restraint 95, item 1, resonance(s) '1.7.HA' (nmrStar names),'1.8.HN' (nmrStar names) not linked" rr_1pbz 1 58 4 96 1 "Not handling restraint 96, item 1, resonance(s) '1.8.HA' (nmrStar names),'1.9.HN' (nmrStar names) not linked" rr_1pbz 1 59 4 97 1 "Not handling restraint 97, item 1, resonance(s) '1.9.HA' (nmrStar names),'1.10.HN' (nmrStar names) not linked" rr_1pbz 1 60 4 98 1 "Not handling restraint 98, item 1, resonance(s) '1.10.HA' (nmrStar names),'1.11.HN' (nmrStar names) not linked" rr_1pbz 1 61 4 99 1 "Not handling restraint 99, item 1, resonance(s) '1.11.HA' (nmrStar names),'1.12.HN' (nmrStar names) not linked" rr_1pbz 1 62 4 100 1 "Not handling restraint 100, item 1, resonance(s) '1.12.HA' (nmrStar names),'1.13.HN' (nmrStar names) not linked" rr_1pbz 1 63 4 101 1 "Not handling restraint 101, item 1, resonance(s) '1.13.HA' (nmrStar names),'1.14.HN' (nmrStar names) not linked" rr_1pbz 1 64 4 102 1 "Not handling restraint 102, item 1, resonance(s) '1.14.HA' (nmrStar names),'1.15.HN' (nmrStar names) not linked" rr_1pbz 1 65 4 103 1 "Not handling restraint 103, item 1, resonance(s) '1.15.HA' (nmrStar names),'1.16.HN' (nmrStar names) not linked" rr_1pbz 1 66 4 104 1 "Not handling restraint 104, item 1, resonance(s) '1.16.HA*' (nmrStar names) not linked" rr_1pbz 1 67 4 105 1 "Not handling restraint 105, item 1, resonance(s) 'C.1.HA' (nmrStar names),'B.2.HN' (nmrStar names) not linked" rr_1pbz 1 68 4 106 1 "Not handling restraint 106, item 1, resonance(s) 'B.2.HA*' (nmrStar names) not linked" rr_1pbz 1 69 4 119 1 "Not handling restraint 119, item 1, resonance(s) '1.32.HA' (nmrStar names) not linked" rr_1pbz 1 70 4 120 1 "Not handling restraint 120, item 1, resonance(s) '1.34.HN' (nmrStar names) not linked" rr_1pbz 1 71 4 121 1 "Not handling restraint 121, item 1, resonance(s) 'D.1.HN' (nmrStar names),'1.2.HN' (nmrStar names) not linked" rr_1pbz 1 72 4 122 1 "Not handling restraint 122, item 1, resonance(s) '1.2.HN' (nmrStar names),'1.3.HN' (nmrStar names) not linked" rr_1pbz 1 73 4 123 1 "Not handling restraint 123, item 1, resonance(s) '1.3.HN' (nmrStar names),'1.4.HN' (nmrStar names) not linked" rr_1pbz 1 74 4 124 1 "Not handling restraint 124, item 1, resonance(s) '1.4.HN' (nmrStar names),'1.5.HN' (nmrStar names) not linked" rr_1pbz 1 75 4 125 1 "Not handling restraint 125, item 1, resonance(s) '1.5.HN' (nmrStar names),'1.6.HN' (nmrStar names) not linked" rr_1pbz 1 76 4 126 1 "Not handling restraint 126, item 1, resonance(s) '1.8.HN' (nmrStar names),'1.9.HN' (nmrStar names) not linked" rr_1pbz 1 77 4 127 1 "Not handling restraint 127, item 1, resonance(s) '1.9.HN' (nmrStar names),'1.10.HN' (nmrStar names) not linked" rr_1pbz 1 78 4 128 1 "Not handling restraint 128, item 1, resonance(s) '1.10.HN' (nmrStar names),'1.11.HN' (nmrStar names) not linked" rr_1pbz 1 79 4 129 1 "Not handling restraint 129, item 1, resonance(s) '1.11.HN' (nmrStar names),'1.12.HN' (nmrStar names) not linked" rr_1pbz 1 80 4 130 1 "Not handling restraint 130, item 1, resonance(s) '1.12.HN' (nmrStar names),'1.13.HN' (nmrStar names) not linked" rr_1pbz 1 81 4 131 1 "Not handling restraint 131, item 1, resonance(s) '1.13.HN' (nmrStar names),'1.14.HN' (nmrStar names) not linked" rr_1pbz 1 82 4 132 1 "Not handling restraint 132, item 1, resonance(s) '1.14.HN' (nmrStar names),'1.15.HN' (nmrStar names) not linked" rr_1pbz 1 83 4 133 1 "Not handling restraint 133, item 1, resonance(s) '1.15.HN' (nmrStar names),'1.16.HN' (nmrStar names) not linked" rr_1pbz 1 84 4 134 1 "Not handling restraint 134, item 1, resonance(s) 'C.1.HN' (nmrStar names),'B.2.HN' (nmrStar names) not linked" rr_1pbz 1 85 4 135 1 "Not handling restraint 135, item 1, resonance(s) 'B.2.HN' (nmrStar names) not linked" rr_1pbz 1 86 4 147 1 "Not handling restraint 147, item 1, resonance(s) '1.2.HN' (nmrStar names),'D.1.HB*' (nmrStar names) not linked" rr_1pbz 1 87 4 148 1 "Not handling restraint 148, item 1, resonance(s) '1.4.HN' (nmrStar names),'1.3.HB*' (nmrStar names) not linked" rr_1pbz 1 88 4 149 1 "Not handling restraint 149, item 1, resonance(s) '1.5.HN' (nmrStar names),'1.4.HB*' (nmrStar names) not linked" rr_1pbz 1 89 4 150 1 "Not handling restraint 150, item 1, resonance(s) '1.6.HN' (nmrStar names),'1.5.HB*' (nmrStar names) not linked" rr_1pbz 1 90 4 151 1 "Not handling restraint 151, item 1, resonance(s) '1.7.HN' (nmrStar names),'1.6.HB*' (nmrStar names) not linked" rr_1pbz 1 91 4 152 1 "Not handling restraint 152, item 1, resonance(s) '1.8.HN' (nmrStar names),'1.7.HB*' (nmrStar names) not linked" rr_1pbz 1 92 4 153 1 "Not handling restraint 153, item 1, resonance(s) '1.9.HN' (nmrStar names),'1.8.HB*' (nmrStar names) not linked" rr_1pbz 1 93 4 154 1 "Not handling restraint 154, item 1, resonance(s) '1.10.HN' (nmrStar names),'1.9.HB*' (nmrStar names) not linked" rr_1pbz 1 94 4 155 1 "Not handling restraint 155, item 1, resonance(s) '1.11.HN' (nmrStar names),'1.10.HB*' (nmrStar names) not linked" rr_1pbz 1 95 4 156 1 "Not handling restraint 156, item 1, resonance(s) '1.12.HN' (nmrStar names),'1.11.HB*' (nmrStar names) not linked" rr_1pbz 1 96 4 157 1 "Not handling restraint 157, item 1, resonance(s) '1.13.HN' (nmrStar names),'1.12.HB*' (nmrStar names) not linked" rr_1pbz 1 97 4 158 1 "Not handling restraint 158, item 1, resonance(s) '1.16.HN' (nmrStar names),'1.15.HB*' (nmrStar names) not linked" rr_1pbz 1 98 4 159 1 "Not handling restraint 159, item 1, resonance(s) 'B.2.HN' (nmrStar names),'C.1.HB*' (nmrStar names) not linked" rr_1pbz 1 99 4 170 1 "Not handling restraint 170, item 1, resonance(s) '1.32.HB*' (nmrStar names) not linked" rr_1pbz 1 100 4 171 1 "Not handling restraint 171, item 1, resonance(s) '1.3.HA' (nmrStar names),'1.6.HN' (nmrStar names) not linked" rr_1pbz 1 101 4 172 1 "Not handling restraint 172, item 1, resonance(s) '1.4.HA' (nmrStar names),'1.7.HN' (nmrStar names) not linked" rr_1pbz 1 102 4 173 1 "Not handling restraint 173, item 1, resonance(s) '1.5.HA' (nmrStar names),'1.8.HN' (nmrStar names) not linked" rr_1pbz 1 103 4 174 1 "Not handling restraint 174, item 1, resonance(s) '1.6.HA' (nmrStar names),'1.9.HN' (nmrStar names) not linked" rr_1pbz 1 104 4 175 1 "Not handling restraint 175, item 1, resonance(s) '1.7.HA' (nmrStar names),'1.10.HN' (nmrStar names) not linked" rr_1pbz 1 105 4 176 1 "Not handling restraint 176, item 1, resonance(s) '1.8.HA' (nmrStar names),'1.11.HN' (nmrStar names) not linked" rr_1pbz 1 106 4 177 1 "Not handling restraint 177, item 1, resonance(s) '1.9.HA' (nmrStar names),'1.12.HN' (nmrStar names) not linked" rr_1pbz 1 107 4 178 1 "Not handling restraint 178, item 1, resonance(s) '1.10.HA' (nmrStar names),'1.13.HN' (nmrStar names) not linked" rr_1pbz 1 108 4 179 1 "Not handling restraint 179, item 1, resonance(s) '1.11.HA' (nmrStar names),'1.14.HN' (nmrStar names) not linked" rr_1pbz 1 109 4 180 1 "Not handling restraint 180, item 1, resonance(s) '1.13.HN' (nmrStar names),'1.16.HA*' (nmrStar names) not linked" rr_1pbz 1 110 4 181 1 "Not handling restraint 181, item 1, resonance(s) '1.14.HN' (nmrStar names) not linked" rr_1pbz 1 111 4 192 1 "Not handling restraint 192, item 1, resonance(s) '1.34.HA' (nmrStar names) not linked" rr_1pbz 1 112 4 193 1 "Not handling restraint 193, item 1, resonance(s) '1.6.HN' (nmrStar names),'1.3.HB*' (nmrStar names) not linked" rr_1pbz 1 113 4 194 1 "Not handling restraint 194, item 1, resonance(s) '1.7.HN' (nmrStar names),'1.4.HB*' (nmrStar names) not linked" rr_1pbz 1 114 4 195 1 "Not handling restraint 195, item 1, resonance(s) '1.9.HN' (nmrStar names),'1.6.HB*' (nmrStar names) not linked" rr_1pbz 1 115 4 196 1 "Not handling restraint 196, item 1, resonance(s) '1.11.HN' (nmrStar names),'1.8.HB*' (nmrStar names) not linked" rr_1pbz 1 116 4 201 1 "Not handling restraint 201, item 1, resonance(s) '1.3.HA' (nmrStar names),'1.6.HB*' (nmrStar names) not linked" rr_1pbz 1 117 4 202 1 "Not handling restraint 202, item 1, resonance(s) '1.4.HA' (nmrStar names),'1.7.HB*' (nmrStar names) not linked" rr_1pbz 1 118 4 203 1 "Not handling restraint 203, item 1, resonance(s) '1.5.HA' (nmrStar names),'1.8.HB*' (nmrStar names) not linked" rr_1pbz 1 119 4 204 1 "Not handling restraint 204, item 1, resonance(s) '1.6.HA' (nmrStar names),'1.9.HB*' (nmrStar names) not linked" rr_1pbz 1 120 4 205 1 "Not handling restraint 205, item 1, resonance(s) '1.7.HA' (nmrStar names),'1.10.HB*' (nmrStar names) not linked" rr_1pbz 1 121 4 206 1 "Not handling restraint 206, item 1, resonance(s) '1.8.HA' (nmrStar names),'1.11.HB*' (nmrStar names) not linked" rr_1pbz 1 122 4 207 1 "Not handling restraint 207, item 1, resonance(s) '1.9.HA' (nmrStar names),'1.12.HB*' (nmrStar names) not linked" rr_1pbz 1 123 4 208 1 "Not handling restraint 208, item 1, resonance(s) '1.10.HA' (nmrStar names),'1.13.HB*' (nmrStar names) not linked" rr_1pbz 1 124 4 209 1 "Not handling restraint 209, item 1, resonance(s) '1.11.HA' (nmrStar names),'1.14.HB*' (nmrStar names) not linked" rr_1pbz 1 125 4 220 1 "Not handling restraint 220, item 1, resonance(s) '1.8.HB*' (nmrStar names),'1.9.HD2' (nmrStar names) not linked" rr_1pbz 1 126 4 221 1 "Not handling restraint 221, item 1, resonance(s) '1.9.HA' (nmrStar names),'1.9.HD2' (nmrStar names) not linked" rr_1pbz 1 127 4 222 1 "Not handling restraint 222, item 1, resonance(s) '1.9.HN' (nmrStar names),'1.9.HD2' (nmrStar names) not linked" rr_1pbz 1 128 4 223 1 "Not handling restraint 223, item 1, resonance(s) '1.5.HB*' (nmrStar names),'1.9.HE1' (nmrStar names) not linked" rr_1pbz 1 129 4 224 1 "Not handling restraint 224, item 1, resonance(s) '1.26.HD2' (nmrStar names) not linked" rr_1pbz 1 130 4 224 1 "Not handling restraint 224, item 1, resonance(s) '1.26.HD2' (nmrStar names) not linked" rr_1pbz 1 131 4 225 1 "Not handling restraint 225, item 1, resonance(s) '1.26.HD2' (nmrStar names) not linked" rr_1pbz 1 132 4 226 1 "Not handling restraint 226, item 1, resonance(s) '1.26.HD2' (nmrStar names) not linked" rr_1pbz 1 133 4 227 1 "Not handling restraint 227, item 1, resonance(s) '1.26.HE1' (nmrStar names) not linked" rr_1pbz 1 stop_ save_ save_Discover_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID rr_1pbz _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 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_1pbz 2 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 . . 2 1 9 9 ALA H H . . . 2 1 5 5 GLU O O . . . . . . 1.9 2.1 . . . . . B . 8 ALA H . . B . 4 GLU O . 1 . 24 LYS+ HN . . . 1 . 20 ALA O . . rr_1pbz 2 2 1 . . 2 1 10 10 HIS H H . . . 2 1 6 6 ALA O O . . . . . . 1.9 2.1 . . . . . B . 9 HIS H . . B . 5 ALA O . 1 . 25 ALA HN . . . 1 . 21 GLU- O . . rr_1pbz 2 3 1 . . 2 1 11 11 ALA H H . . . 2 1 7 7 ALA O O . . . . . . 1.9 2.1 . . . . . B . 10 ALA H . . B . 6 ALA O . 1 . 26 HISD HN . . . 1 . 22 ALA O . . rr_1pbz 2 4 1 . . 2 1 12 12 LYS H H . . . 2 1 8 8 LYS O O . . . . . . 1.9 2.1 . . . . . B . 11 LYS H . . B . 7 LYS O . 1 . 27 ALA HN . . . 1 . 23 ALA O . . rr_1pbz 2 5 1 . . 2 1 13 13 ALA H H . . . 2 1 9 9 ALA O O . . . . . . 1.9 2.1 . . . . . B . 12 ALA H . . B . 8 ALA O . 1 . 28 LYS+ HN . . . 1 . 24 LYS+ O . . rr_1pbz 2 6 1 . . 2 1 14 14 ALA H H . . . 2 1 10 10 HIS O O . . . . . . 1.9 2.1 . . . . . B . 13 ALA H . . B . 9 HIS O . 1 . 29 ALA HN . . . 1 . 25 ALA O . . rr_1pbz 2 7 1 . . 2 1 15 15 GLU H H . . . 2 1 11 11 ALA O O . . . . . . 1.9 2.1 . . . . . B . 14 GLU H . . B . 10 ALA O . 1 . 30 ALA HN . . . 1 . 26 HISD O . . rr_1pbz 2 8 1 . . 2 1 16 16 ALA H H . . . 2 1 12 12 LYS O O . . . . . . 1.9 2.1 . . . . . B . 15 ALA H . . B . 11 LYS O . 1 . 31 GLU- HN . . . 1 . 27 ALA O . . rr_1pbz 2 9 1 . . 2 1 17 17 GLY H H . . . 2 1 13 13 ALA O O . . . . . . 1.9 2.1 . . . . . B . 16 GLY H . . B . 12 ALA O . 1 . 32 ALA HN . . . 1 . 28 LYS+ O . . rr_1pbz 2 10 1 . . 2 1 18 18 CYS H H . . . 2 1 14 14 ALA O O . . . . . . 1.9 2.1 . . . . . B . 17 CYS H . . B . 13 ALA O . 1 . 33 GLY HN . . . 1 . 29 ALA O . . rr_1pbz 2 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 distance 1 1 1 15 rr_1pbz 2 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 3 1 1 "Not handling restraint 1, item 1, resonance(s) '1.6.HN' (nmrStar names),'1.2.O' (nmrStar names) not linked" rr_1pbz 2 2 3 2 1 "Not handling restraint 2, item 1, resonance(s) '1.7.HN' (nmrStar names),'1.3.O' (nmrStar names) not linked" rr_1pbz 2 3 3 3 1 "Not handling restraint 3, item 1, resonance(s) '1.8.HN' (nmrStar names),'1.4.O' (nmrStar names) not linked" rr_1pbz 2 4 3 4 1 "Not handling restraint 4, item 1, resonance(s) '1.9.HN' (nmrStar names),'1.5.O' (nmrStar names) not linked" rr_1pbz 2 5 3 5 1 "Not handling restraint 5, item 1, resonance(s) '1.10.HN' (nmrStar names),'1.6.O' (nmrStar names) not linked" rr_1pbz 2 6 3 6 1 "Not handling restraint 6, item 1, resonance(s) '1.11.HN' (nmrStar names),'1.7.O' (nmrStar names) not linked" rr_1pbz 2 7 3 7 1 "Not handling restraint 7, item 1, resonance(s) '1.12.HN' (nmrStar names),'1.8.O' (nmrStar names) not linked" rr_1pbz 2 8 3 8 1 "Not handling restraint 8, item 1, resonance(s) '1.13.HN' (nmrStar names),'1.9.O' (nmrStar names) not linked" rr_1pbz 2 9 3 9 1 "Not handling restraint 9, item 1, resonance(s) '1.14.HN' (nmrStar names),'1.10.O' (nmrStar names) not linked" rr_1pbz 2 10 3 10 1 "Not handling restraint 10, item 1, resonance(s) '1.15.HN' (nmrStar names),'1.11.O' (nmrStar names) not linked" rr_1pbz 2 11 3 11 1 "Not handling restraint 11, item 1, resonance(s) '1.16.HN' (nmrStar names),'1.12.O' (nmrStar names) not linked" rr_1pbz 2 12 3 12 1 "Not handling restraint 12, item 1, resonance(s) 'B.2.O' (nmrStar names) not linked" rr_1pbz 2 stop_ save_ save_Discover_dihedral_5 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode Discover_dihedral_5 _Torsion_angle_constraint_list.Entry_ID rr_1pbz _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 5 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . rr_1pbz 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 2 1 5 5 GLU C C . . 2 1 6 6 ALA N N . . 2 1 6 6 ALA CA C . . 2 1 6 6 ALA C C . -100.0 -20.0 . . . B . 4 GLU C . . B . 5 ALA N . . B . 5 ALA CA . . B . 5 ALA C . 1 . 20 ALA C . . . 1 . 21 GLU- N . . . 1 . 21 GLU- CA . . . 1 . 21 GLU- C . . rr_1pbz 1 2 . . 2 1 6 6 ALA C C . . 2 1 7 7 ALA N N . . 2 1 7 7 ALA CA C . . 2 1 7 7 ALA C C . -100.0 -20.0 . . . B . 5 ALA C . . B . 6 ALA N . . B . 6 ALA CA . . B . 6 ALA C . 1 . 21 GLU- C . . . 1 . 22 ALA N . . . 1 . 22 ALA CA . . . 1 . 22 ALA C . . rr_1pbz 1 3 . . 2 1 7 7 ALA C C . . 2 1 8 8 LYS N N . . 2 1 8 8 LYS CA C . . 2 1 8 8 LYS C C . -100.0 -20.0 . . . B . 6 ALA C . . B . 7 LYS N . . B . 7 LYS CA . . B . 7 LYS C . 1 . 22 ALA C . . . 1 . 23 ALA N . . . 1 . 23 ALA CA . . . 1 . 23 ALA C . . rr_1pbz 1 4 . . 2 1 8 8 LYS C C . . 2 1 9 9 ALA N N . . 2 1 9 9 ALA CA C . . 2 1 9 9 ALA C C . -100.0 -20.0 . . . B . 7 LYS C . . B . 8 ALA N . . B . 8 ALA CA . . B . 8 ALA C . 1 . 23 ALA C . . . 1 . 24 LYS+ N . . . 1 . 24 LYS+ CA . . . 1 . 24 LYS+ C . . rr_1pbz 1 5 . . 2 1 9 9 ALA C C . . 2 1 10 10 HIS N N . . 2 1 10 10 HIS CA C . . 2 1 10 10 HIS C C . -100.0 -20.0 . . . B . 8 ALA C . . B . 9 HIS N . . B . 9 HIS CA . . B . 9 HIS C . 1 . 24 LYS+ C . . . 1 . 25 ALA N . . . 1 . 25 ALA CA . . . 1 . 25 ALA C . . rr_1pbz 1 6 . . 2 1 10 10 HIS C C . . 2 1 11 11 ALA N N . . 2 1 11 11 ALA CA C . . 2 1 11 11 ALA C C . -100.0 -20.0 . . . B . 9 HIS C . . B . 10 ALA N . . B . 10 ALA CA . . B . 10 ALA C . 1 . 25 ALA C . . . 1 . 26 HISD N . . . 1 . 26 HISD CA . . . 1 . 26 HISD C . . rr_1pbz 1 7 . . 2 1 11 11 ALA C C . . 2 1 12 12 LYS N N . . 2 1 12 12 LYS CA C . . 2 1 12 12 LYS C C . -100.0 -20.0 . . . B . 10 ALA C . . B . 11 LYS N . . B . 11 LYS CA . . B . 11 LYS C . 1 . 26 HISD C . . . 1 . 27 ALA N . . . 1 . 27 ALA CA . . . 1 . 27 ALA C . . rr_1pbz 1 8 . . 2 1 12 12 LYS C C . . 2 1 13 13 ALA N N . . 2 1 13 13 ALA CA C . . 2 1 13 13 ALA C C . -100.0 -20.0 . . . B . 11 LYS C . . B . 12 ALA N . . B . 12 ALA CA . . B . 12 ALA C . 1 . 27 ALA C . . . 1 . 28 LYS+ N . . . 1 . 28 LYS+ CA . . . 1 . 28 LYS+ C . . rr_1pbz 1 9 . . 2 1 13 13 ALA C C . . 2 1 14 14 ALA N N . . 2 1 14 14 ALA CA C . . 2 1 14 14 ALA C C . -100.0 -20.0 . . . B . 12 ALA C . . B . 13 ALA N . . B . 13 ALA CA . . B . 13 ALA C . 1 . 28 LYS+ C . . . 1 . 29 ALA N . . . 1 . 29 ALA CA . . . 1 . 29 ALA C . . rr_1pbz 1 10 . . 2 1 14 14 ALA C C . . 2 1 15 15 GLU N N . . 2 1 15 15 GLU CA C . . 2 1 15 15 GLU C C . -100.0 -20.0 . . . B . 13 ALA C . . B . 14 GLU N . . B . 14 GLU CA . . B . 14 GLU C . 1 . 29 ALA C . . . 1 . 30 ALA N . . . 1 . 30 ALA CA . . . 1 . 30 ALA C . . rr_1pbz 1 11 . . 2 1 15 15 GLU C C . . 2 1 16 16 ALA N N . . 2 1 16 16 ALA CA C . . 2 1 16 16 ALA C C . -100.0 -20.0 . . . B . 14 GLU C . . B . 15 ALA N . . B . 15 ALA CA . . B . 15 ALA C . 1 . 30 ALA C . . . 1 . 31 GLU- N . . . 1 . 31 GLU- CA . . . 1 . 31 GLU- C . . rr_1pbz 1 12 . . 2 1 16 16 ALA C C . . 2 1 17 17 GLY N N . . 2 1 17 17 GLY CA C . . 2 1 17 17 GLY C C . -100.0 -20.0 . . . B . 15 ALA C . . B . 16 GLY N . . B . 16 GLY CA . . B . 16 GLY C . 1 . 31 GLU- C . . . 1 . 32 ALA N . . . 1 . 32 ALA CA . . . 1 . 32 ALA C . . rr_1pbz 1 13 . . 2 1 17 17 GLY C C . . 2 1 18 18 CYS N N . . 2 1 18 18 CYS CA C . . 2 1 18 18 CYS C C . -100.0 -20.0 . . . B . 16 GLY C . . B . 17 CYS N . . B . 17 CYS CA . . B . 17 CYS C . 1 . 32 ALA C . . . 1 . 33 GLY N . . . 1 . 33 GLY CA . . . 1 . 33 GLY C . . rr_1pbz 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 planarity 7 67 7 75 rr_1pbz 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; NMR_dihedral This is the phi angel restraints ; 1 1 2 37 rr_1pbz 1 stop_ loop_ _TA_constraint_conv_err.ID _TA_constraint_conv_err.Parse_file_ID _TA_constraint_conv_err.Parse_file_constraint_ID _TA_constraint_conv_err.Conv_error_type _TA_constraint_conv_err.Conv_error_note _TA_constraint_conv_err.Entry_ID _TA_constraint_conv_err.Torsion_angle_constraint_list_ID 1 5 1 1 "Not handling restraint 1, resonance(s) '1.2.C' (nmrStar names),'1.3.N' (nmrStar names),'1.3.CA' (nmrStar names),'1.3.C' (nmrStar names) not linked" rr_1pbz 1 2 5 2 1 "Not handling restraint 2, resonance(s) '1.3.C' (nmrStar names),'1.4.N' (nmrStar names),'1.4.CA' (nmrStar names),'1.4.C' (nmrStar names) not linked" rr_1pbz 1 3 5 3 1 "Not handling restraint 3, resonance(s) '1.4.C' (nmrStar names),'1.5.N' (nmrStar names),'1.5.CA' (nmrStar names),'1.5.C' (nmrStar names) not linked" rr_1pbz 1 4 5 4 1 "Not handling restraint 4, resonance(s) '1.5.C' (nmrStar names),'1.6.N' (nmrStar names),'1.6.CA' (nmrStar names),'1.6.C' (nmrStar names) not linked" rr_1pbz 1 5 5 5 1 "Not handling restraint 5, resonance(s) '1.6.C' (nmrStar names),'1.7.N' (nmrStar names),'1.7.CA' (nmrStar names),'1.7.C' (nmrStar names) not linked" rr_1pbz 1 6 5 6 1 "Not handling restraint 6, resonance(s) '1.7.C' (nmrStar names),'1.8.N' (nmrStar names),'1.8.CA' (nmrStar names),'1.8.C' (nmrStar names) not linked" rr_1pbz 1 7 5 7 1 "Not handling restraint 7, resonance(s) '1.8.C' (nmrStar names),'1.9.N' (nmrStar names),'1.9.CA' (nmrStar names),'1.9.C' (nmrStar names) not linked" rr_1pbz 1 8 5 8 1 "Not handling restraint 8, resonance(s) '1.9.C' (nmrStar names),'1.10.N' (nmrStar names),'1.10.CA' (nmrStar names),'1.10.C' (nmrStar names) not linked" rr_1pbz 1 9 5 9 1 "Not handling restraint 9, resonance(s) '1.10.C' (nmrStar names),'1.11.N' (nmrStar names),'1.11.CA' (nmrStar names),'1.11.C' (nmrStar names) not linked" rr_1pbz 1 10 5 10 1 "Not handling restraint 10, resonance(s) '1.11.C' (nmrStar names),'1.12.N' (nmrStar names),'1.12.CA' (nmrStar names),'1.12.C' (nmrStar names) not linked" rr_1pbz 1 11 5 11 1 "Not handling restraint 11, resonance(s) '1.12.C' (nmrStar names),'1.13.N' (nmrStar names),'1.13.CA' (nmrStar names),'1.13.C' (nmrStar names) not linked" rr_1pbz 1 12 5 12 1 "Not handling restraint 12, resonance(s) '1.13.C' (nmrStar names),'1.14.N' (nmrStar names),'1.14.CA' (nmrStar names),'1.14.C' (nmrStar names) not linked" rr_1pbz 1 13 5 13 1 "Not handling restraint 13, resonance(s) '1.14.C' (nmrStar names),'1.15.N' (nmrStar names),'1.15.CA' (nmrStar names),'1.15.C' (nmrStar names) not linked" rr_1pbz 1 14 5 14 1 "Not handling restraint 14, resonance(s) '1.15.C' (nmrStar names),'1.16.N' (nmrStar names),'1.16.CA' (nmrStar names) not linked" rr_1pbz 1 15 5 15 1 "Not handling restraint 15, resonance(s) 'B.2.C' (nmrStar names) not linked" rr_1pbz 1 stop_ save_ save_Discover_dihedral_6 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode Discover_dihedral_6 _Torsion_angle_constraint_list.Entry_ID rr_1pbz _Torsion_angle_constraint_list.ID 2 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 6 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . rr_1pbz 2 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 2 1 5 5 GLU CA C . . 2 1 5 5 GLU C C . . 2 1 6 6 ALA N N . . 2 1 6 6 ALA CA C . 170.0 190.0 . . . B . 4 GLU CA . . B . 4 GLU C . . B . 5 ALA N . . B . 5 ALA CA . 1 . 20 ALA CA . . . 1 . 20 ALA C . . . 1 . 21 GLU- N . . . 1 . 21 GLU- CA . . rr_1pbz 2 2 . . 2 1 6 6 ALA CA C . . 2 1 6 6 ALA C C . . 2 1 7 7 ALA N N . . 2 1 7 7 ALA CA C . 170.0 190.0 . . . B . 5 ALA CA . . B . 5 ALA C . . B . 6 ALA N . . B . 6 ALA CA . 1 . 21 GLU- CA . . . 1 . 21 GLU- C . . . 1 . 22 ALA N . . . 1 . 22 ALA CA . . rr_1pbz 2 3 . . 2 1 7 7 ALA CA C . . 2 1 7 7 ALA C C . . 2 1 8 8 LYS N N . . 2 1 8 8 LYS CA C . 170.0 190.0 . . . B . 6 ALA CA . . B . 6 ALA C . . B . 7 LYS N . . B . 7 LYS CA . 1 . 22 ALA CA . . . 1 . 22 ALA C . . . 1 . 23 ALA N . . . 1 . 23 ALA CA . . rr_1pbz 2 4 . . 2 1 8 8 LYS CA C . . 2 1 8 8 LYS C C . . 2 1 9 9 ALA N N . . 2 1 9 9 ALA CA C . 170.0 190.0 . . . B . 7 LYS CA . . B . 7 LYS C . . B . 8 ALA N . . B . 8 ALA CA . 1 . 23 ALA CA . . . 1 . 23 ALA C . . . 1 . 24 LYS+ N . . . 1 . 24 LYS+ CA . . rr_1pbz 2 5 . . 2 1 9 9 ALA CA C . . 2 1 9 9 ALA C C . . 2 1 10 10 HIS N N . . 2 1 10 10 HIS CA C . 170.0 190.0 . . . B . 8 ALA CA . . B . 8 ALA C . . B . 9 HIS N . . B . 9 HIS CA . 1 . 24 LYS+ CA . . . 1 . 24 LYS+ C . . . 1 . 25 ALA N . . . 1 . 25 ALA CA . . rr_1pbz 2 6 . . 2 1 10 10 HIS CA C . . 2 1 10 10 HIS C C . . 2 1 11 11 ALA N N . . 2 1 11 11 ALA CA C . 170.0 190.0 . . . B . 9 HIS CA . . B . 9 HIS C . . B . 10 ALA N . . B . 10 ALA CA . 1 . 25 ALA CA . . . 1 . 25 ALA C . . . 1 . 26 HISD N . . . 1 . 26 HISD CA . . rr_1pbz 2 7 . . 2 1 11 11 ALA CA C . . 2 1 11 11 ALA C C . . 2 1 12 12 LYS N N . . 2 1 12 12 LYS CA C . 170.0 190.0 . . . B . 10 ALA CA . . B . 10 ALA C . . B . 11 LYS N . . B . 11 LYS CA . 1 . 26 HISD CA . . . 1 . 26 HISD C . . . 1 . 27 ALA N . . . 1 . 27 ALA CA . . rr_1pbz 2 8 . . 2 1 12 12 LYS CA C . . 2 1 12 12 LYS C C . . 2 1 13 13 ALA N N . . 2 1 13 13 ALA CA C . 170.0 190.0 . . . B . 11 LYS CA . . B . 11 LYS C . . B . 12 ALA N . . B . 12 ALA CA . 1 . 27 ALA CA . . . 1 . 27 ALA C . . . 1 . 28 LYS+ N . . . 1 . 28 LYS+ CA . . rr_1pbz 2 9 . . 2 1 13 13 ALA CA C . . 2 1 13 13 ALA C C . . 2 1 14 14 ALA N N . . 2 1 14 14 ALA CA C . 170.0 190.0 . . . B . 12 ALA CA . . B . 12 ALA C . . B . 13 ALA N . . B . 13 ALA CA . 1 . 28 LYS+ CA . . . 1 . 28 LYS+ C . . . 1 . 29 ALA N . . . 1 . 29 ALA CA . . rr_1pbz 2 10 . . 2 1 14 14 ALA CA C . . 2 1 14 14 ALA C C . . 2 1 15 15 GLU N N . . 2 1 15 15 GLU CA C . 170.0 190.0 . . . B . 13 ALA CA . . B . 13 ALA C . . B . 14 GLU N . . B . 14 GLU CA . 1 . 29 ALA CA . . . 1 . 29 ALA C . . . 1 . 30 ALA N . . . 1 . 30 ALA CA . . rr_1pbz 2 11 . . 2 1 15 15 GLU CA C . . 2 1 15 15 GLU C C . . 2 1 16 16 ALA N N . . 2 1 16 16 ALA CA C . 170.0 190.0 . . . B . 14 GLU CA . . B . 14 GLU C . . B . 15 ALA N . . B . 15 ALA CA . 1 . 30 ALA CA . . . 1 . 30 ALA C . . . 1 . 31 GLU- N . . . 1 . 31 GLU- CA . . rr_1pbz 2 12 . . 2 1 16 16 ALA CA C . . 2 1 16 16 ALA C C . . 2 1 17 17 GLY N N . . 2 1 17 17 GLY CA C . 170.0 190.0 . . . B . 15 ALA CA . . B . 15 ALA C . . B . 16 GLY N . . B . 16 GLY CA . 1 . 31 GLU- CA . . . 1 . 31 GLU- C . . . 1 . 32 ALA N . . . 1 . 32 ALA CA . . rr_1pbz 2 13 . . 2 1 17 17 GLY CA C . . 2 1 17 17 GLY C C . . 2 1 18 18 CYS N N . . 2 1 18 18 CYS CA C . 170.0 190.0 . . . B . 16 GLY CA . . B . 16 GLY C . . B . 17 CYS N . . B . 17 CYS CA . 1 . 32 ALA CA . . . 1 . 32 ALA C . . . 1 . 33 GLY N . . . 1 . 33 GLY CA . . rr_1pbz 2 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 'this is the restraints to fix the peptide bond' 1 1 1 47 rr_1pbz 2 2 'this is the restraints to fix the porphyrin plane' 34 1 34 50 rr_1pbz 2 3 'this is used to fix Im ring' 39 1 39 30 rr_1pbz 2 stop_ loop_ _TA_constraint_conv_err.ID _TA_constraint_conv_err.Parse_file_ID _TA_constraint_conv_err.Parse_file_constraint_ID _TA_constraint_conv_err.Conv_error_type _TA_constraint_conv_err.Conv_error_note _TA_constraint_conv_err.Entry_ID _TA_constraint_conv_err.Torsion_angle_constraint_list_ID 1 6 1 1 "Not handling restraint 1, resonance(s) 'D.1.CA' (nmrStar names),'D.1.C' (nmrStar names),'1.2.N' (nmrStar names),'1.2.CA' (nmrStar names) not linked" rr_1pbz 2 2 6 2 1 "Not handling restraint 2, resonance(s) '1.2.CA' (nmrStar names),'1.2.C' (nmrStar names),'1.3.N' (nmrStar names),'1.3.CA' (nmrStar names) not linked" rr_1pbz 2 3 6 3 1 "Not handling restraint 3, resonance(s) '1.3.CA' (nmrStar names),'1.3.C' (nmrStar names),'1.4.N' (nmrStar names),'1.4.CA' (nmrStar names) not linked" rr_1pbz 2 4 6 4 1 "Not handling restraint 4, resonance(s) '1.4.CA' (nmrStar names),'1.4.C' (nmrStar names),'1.5.N' (nmrStar names),'1.5.CA' (nmrStar names) not linked" rr_1pbz 2 5 6 5 1 "Not handling restraint 5, resonance(s) '1.5.CA' (nmrStar names),'1.5.C' (nmrStar names),'1.6.N' (nmrStar names),'1.6.CA' (nmrStar names) not linked" rr_1pbz 2 6 6 6 1 "Not handling restraint 6, resonance(s) '1.6.CA' (nmrStar names),'1.6.C' (nmrStar names),'1.7.N' (nmrStar names),'1.7.CA' (nmrStar names) not linked" rr_1pbz 2 7 6 7 1 "Not handling restraint 7, resonance(s) '1.7.CA' (nmrStar names),'1.7.C' (nmrStar names),'1.8.N' (nmrStar names),'1.8.CA' (nmrStar names) not linked" rr_1pbz 2 8 6 8 1 "Not handling restraint 8, resonance(s) '1.8.CA' (nmrStar names),'1.8.C' (nmrStar names),'1.9.N' (nmrStar names),'1.9.CA' (nmrStar names) not linked" rr_1pbz 2 9 6 9 1 "Not handling restraint 9, resonance(s) '1.9.CA' (nmrStar names),'1.9.C' (nmrStar names),'1.10.N' (nmrStar names),'1.10.CA' (nmrStar names) not linked" rr_1pbz 2 10 6 10 1 "Not handling restraint 10, resonance(s) '1.10.CA' (nmrStar names),'1.10.C' (nmrStar names),'1.11.N' (nmrStar names),'1.11.CA' (nmrStar names) not linked" rr_1pbz 2 11 6 11 1 "Not handling restraint 11, resonance(s) '1.11.CA' (nmrStar names),'1.11.C' (nmrStar names),'1.12.N' (nmrStar names),'1.12.CA' (nmrStar names) not linked" rr_1pbz 2 12 6 12 1 "Not handling restraint 12, resonance(s) '1.12.CA' (nmrStar names),'1.12.C' (nmrStar names),'1.13.N' (nmrStar names),'1.13.CA' (nmrStar names) not linked" rr_1pbz 2 13 6 13 1 "Not handling restraint 13, resonance(s) '1.13.CA' (nmrStar names),'1.13.C' (nmrStar names),'1.14.N' (nmrStar names),'1.14.CA' (nmrStar names) not linked" rr_1pbz 2 14 6 14 1 "Not handling restraint 14, resonance(s) '1.14.CA' (nmrStar names),'1.14.C' (nmrStar names),'1.15.N' (nmrStar names),'1.15.CA' (nmrStar names) not linked" rr_1pbz 2 15 6 15 1 "Not handling restraint 15, resonance(s) '1.15.CA' (nmrStar names),'1.15.C' (nmrStar names),'1.16.N' (nmrStar names),'1.16.CA' (nmrStar names) not linked" rr_1pbz 2 16 6 16 1 "Not handling restraint 16, resonance(s) '1.16.CA' (nmrStar names) not linked" rr_1pbz 2 17 6 17 1 "Not handling restraint 17, resonance(s) 'C.1.CA' (nmrStar names),'C.1.C' (nmrStar names),'B.2.N' (nmrStar names),'B.2.CA' (nmrStar names) not linked" rr_1pbz 2 18 6 18 1 "Not handling restraint 18, resonance(s) 'B.2.CA' (nmrStar names),'B.2.C' (nmrStar names) not linked" rr_1pbz 2 19 6 32 1 "Not handling restraint 32, resonance(s) '1.34.CA' (nmrStar names) not linked" rr_1pbz 2 20 6 33 1 "Not handling restraint 33, resonance(s) 'E.1.CO2' (nmrStar names),'B.1.N6B' (nmrStar names),'B.1.C6C' (nmrStar names),'B.1.CB' (nmrStar names) not linked" rr_1pbz 2 21 6 34 1 "Not handling restraint 34, resonance(s) 'E.1.CO2' (nmrStar names),'B.1.N8B' (nmrStar names),'B.1.C8A' (nmrStar names),'B.1.CD' (nmrStar names) not linked" rr_1pbz 2 22 6 35 1 "Not handling restraint 35, resonance(s) 'E.1.CO2' (nmrStar names),'B.1.N2B' (nmrStar names),'B.1.C2C' (nmrStar names),'B.1.CD' (nmrStar names) not linked" rr_1pbz 2 23 6 36 1 "Not handling restraint 36, resonance(s) 'E.1.CO2' (nmrStar names),'B.1.N4B1' (nmrStar names),'B.1.C4A' (nmrStar names),'B.1.CB' (nmrStar names) not linked" rr_1pbz 2 24 6 37 1 "Not handling restraint 37, resonance(s) '1.9.CG' (nmrStar names),'1.9.ND1' (nmrStar names),'1.9.CE1' (nmrStar names),'1.9.NE2' (nmrStar names) not linked" rr_1pbz 2 25 6 38 1 "Not handling restraint 38, resonance(s) '1.9.ND1' (nmrStar names),'1.9.CE1' (nmrStar names),'1.9.NE2' (nmrStar names),'1.9.CD2' (nmrStar names) not linked" rr_1pbz 2 26 6 39 1 "Not handling restraint 39, resonance(s) '1.26.CG' (nmrStar names),'1.26.ND1' (nmrStar names),'1.26.CE1' (nmrStar names),'1.26.NE2' (nmrStar names) not linked" rr_1pbz 2 27 6 40 1 "Not handling restraint 40, resonance(s) '1.26.ND1' (nmrStar names),'1.26.CE1' (nmrStar names),'1.26.NE2' (nmrStar names),'1.26.CD2' (nmrStar names) not linked" rr_1pbz 2 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_1pbz _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 DE NOVO PROTEIN 15-MAY-03 1PBZ *TITLE DE NOVO DESIGNED PEPTIDE-METALLOPORPHYRIN COMPLEX, SOLUTION *TITLE 2 STRUCTURE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DE NOVO DESIGNED CYCLIC PEPTIDE; *COMPND 3 CHAIN: A, B; *COMPND 4 ENGINEERED: YES; *COMPND 5 OTHER_DETAILS: COMPLEXED WITH METALLOPORPHYRIN *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: SYNTHESIZED BY SOLID STATE METHODS *KEYWDS PEPTIDE; METALLOPORPHYRIN; HEME; DE NOVO DESIGN *EXPDTA NMR, 14 STRUCTURES *AUTHOR J.WANG, M. M.ROSENBLATT, K. S.SUSLICK *REVDAT 1 09-DEC-03 1PBZ 0 ; save_