data_nef_c34019_5lfy save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5LFY stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 1 ASP O 3 2 ZN ZN 1 3 GLU OE1 3 1 ZN ZN 1 3 GLU OE2 3 1 ZN ZN 1 6 HIS NE2 3 2 ZN ZN 1 7 HIS NE2 3 1 ZN ZN 1 10 TYR C 1 11 NH2 N 2 1 ASP O 3 1 ZN ZN 2 3 GLU OE1 3 2 ZN ZN 2 3 GLU OE2 3 2 ZN ZN 2 6 HIS NE2 3 1 ZN ZN 2 7 HIS NE2 3 2 ZN ZN 2 10 TYR C 2 11 NH2 N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ASP start . . 2 A 2 ALA middle . . 3 A 3 GLU middle . . 4 A 4 PHE middle . . 5 A 5 ARG middle . . 6 A 6 HIS middle -HE2 . 7 A 7 HIS middle -HE2 . 8 A 8 SER middle . . 9 A 9 GLY middle . false 10 A 10 TYR middle -OXT . 11 A 11 NH2 end . . 12 B 1 ASP start . . 13 B 2 ALA middle . . 14 B 3 GLU middle . . 15 B 4 PHE middle . . 16 B 5 ARG middle . . 17 B 6 HIS middle -HE2 . 18 B 7 HIS middle -HE2 . 19 B 8 SER middle . . 20 B 9 GLY middle . false 21 B 10 TYR middle -OXT . 22 B 11 NH2 end . . 23 C 1 ZN . . . 24 C 2 ZN . . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ASP HA H 1 4.013 0.002 A 1 ASP HBy H 1 2.041 0.002 A 1 ASP HBx H 1 1.535 0.002 A 1 ASP CA C 13 52.413 0.02 A 1 ASP CB C 13 42.195 0.02 A 2 ALA H H 1 8.707 0.002 A 2 ALA HA H 1 4.412 0.002 A 2 ALA HB% H 1 1.413 0.002 A 2 ALA CA C 13 52.222 0.02 A 2 ALA CB C 13 19.822 0.02 A 2 ALA N N 15 122.029 0.02 A 3 GLU H H 1 9.108 0.002 A 3 GLU HA H 1 4.752 0.002 A 3 GLU HBy H 1 2.405 0.002 A 3 GLU HBx H 1 2.058 0.002 A 3 GLU HGy H 1 2.691 0.002 A 3 GLU HGx H 1 2.523 0.002 A 3 GLU CA C 13 59.361 0.02 A 3 GLU CB C 13 29.681 0.02 A 3 GLU CG C 13 34.737 0.02 A 3 GLU N N 15 122.329 0.02 A 4 PHE H H 1 8.472 0.002 A 4 PHE HA H 1 4.502 0.002 A 4 PHE HBy H 1 3.292 0.002 A 4 PHE HBx H 1 3.012 0.002 A 4 PHE HDx H 1 7.227 0.002 A 4 PHE HDy H 1 7.227 0.002 A 4 PHE HEx H 1 7.326 0.002 A 4 PHE HEy H 1 7.326 0.002 A 4 PHE HZ H 1 7.309 0.002 A 4 PHE CA C 13 59.918 0.02 A 4 PHE CB C 13 37.847 0.02 A 4 PHE CDx C 13 132.141 0.02 A 4 PHE CDy C 13 132.141 0.02 A 4 PHE CEx C 13 131.791 0.02 A 4 PHE CEy C 13 131.791 0.02 A 4 PHE CZ C 13 130.481 0.02 A 5 ARG H H 1 6.959 0.002 A 5 ARG HA H 1 3.949 0.002 A 5 ARG HBy H 1 1.539 0.002 A 5 ARG HBx H 1 1.474 0.002 A 5 ARG HDx H 1 2.998 0.002 A 5 ARG HDy H 1 2.998 0.002 A 5 ARG HGy H 1 1.175 0.002 A 5 ARG HGx H 1 1.078 0.002 A 5 ARG CA C 13 56.855 0.02 A 5 ARG CB C 13 29.439 0.02 A 5 ARG CD C 13 42.532 0.02 A 5 ARG CG C 13 26.946 0.02 A 5 ARG N N 15 118.123 0.02 A 6 HIS H H 1 7.432 0.002 A 6 HIS HA H 1 4.153 0.002 A 6 HIS HBy H 1 2.593 0.002 A 6 HIS HBx H 1 1.939 0.002 A 6 HIS HD2 H 1 6.404 0.002 A 6 HIS HE1 H 1 7.604 0.002 A 6 HIS CA C 13 58.046 0.02 A 6 HIS CB C 13 29.579 0.02 A 6 HIS CD2 C 13 129.208 0.02 A 6 HIS CE1 C 13 139.772 0.02 A 6 HIS N N 15 115.868 0.02 A 7 HIS H H 1 7.672 0.002 A 7 HIS HA H 1 4.783 0.002 A 7 HIS HBy H 1 3.266 0.002 A 7 HIS HBx H 1 2.931 0.002 A 7 HIS HD2 H 1 7.088 0.002 A 7 HIS HE1 H 1 8.072 0.002 A 7 HIS CA C 13 54.991 0.02 A 7 HIS CB C 13 29.037 0.02 A 7 HIS CD2 C 13 129.358 0.02 A 7 HIS CE1 C 13 139.17 0.02 A 7 HIS N N 15 115.399 0.02 A 8 SER H H 1 8.041 0.002 A 8 SER HA H 1 4.432 0.002 A 8 SER HBx H 1 3.856 0.002 A 8 SER HBy H 1 3.856 0.002 A 8 SER CA C 13 59.019 0.02 A 8 SER CB C 13 63.702 0.02 A 9 GLY H H 1 8.614 0.002 A 9 GLY HAy H 1 3.952 0.002 A 9 GLY HAx H 1 3.851 0.002 A 9 GLY CA C 13 45.364 0.02 A 9 GLY N N 15 110.852 0.02 A 10 TYR H H 1 8.151 0.002 A 10 TYR HA H 1 4.488 0.002 A 10 TYR HBy H 1 3.095 0.002 A 10 TYR HBx H 1 2.984 0.002 A 10 TYR HDx H 1 7.138 0.002 A 10 TYR HDy H 1 7.138 0.002 A 10 TYR HEx H 1 6.824 0.002 A 10 TYR HEy H 1 6.824 0.002 A 10 TYR CA C 13 58.087 0.02 A 10 TYR CB C 13 39.081 0.02 A 10 TYR CDx C 13 133.294 0.02 A 10 TYR CDy C 13 133.294 0.02 A 10 TYR CEx C 13 118.26 0.02 A 10 TYR CEy C 13 118.26 0.02 A 10 TYR N N 15 120.786 0.02 A 11 NH2 HNy H 1 7.677 0.02 A 11 NH2 HNx H 1 7.203 0.02 A 11 NH2 N N 15 109.476 0.02 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 2 ALA HA A 3 GLU HGy 1.0 1.0 4.5 2 1 A 2 ALA HA B 3 GLU HGx 1.0 1.0 4.5 3 1 A 2 ALA HA B 3 GLU HGy 1.0 1.0 4.5 4 1 A 2 ALA HA A 3 GLU HGx 1.0 1.0 4.5 5 2 A 6 HIS HD2 A 3 GLU HBy 1.0 0.5 4.0 6 2 A 6 HIS HD2 B 3 GLU HBx 1.0 0.5 4.0 7 2 A 6 HIS HD2 B 3 GLU HBy 1.0 0.5 4.0 8 2 A 6 HIS HD2 A 3 GLU HBx 1.0 0.5 4.0 9 3 A 6 HIS HE1 A 6 HIS HBy 1.0 0.5 4.0 10 3 A 6 HIS HE1 B 6 HIS HBx 1.0 0.5 4.0 11 3 A 6 HIS HE1 B 6 HIS HBy 1.0 0.5 4.0 12 3 A 6 HIS HE1 A 6 HIS HBx 1.0 0.5 4.0 13 4 A 6 HIS HD2 B 6 HIS HBx 1.0 0.5 4.0 14 4 A 6 HIS HD2 B 6 HIS HBy 1.0 0.5 4.0 15 4 A 6 HIS HD2 A 6 HIS HBx 1.0 0.5 4.0 16 4 A 6 HIS HD2 A 6 HIS HBy 1.0 0.5 4.0 17 5 A 6 HIS HE1 A 6 HIS HBy 1.0 0.5 4.0 18 5 A 6 HIS HE1 B 6 HIS HBx 1.0 0.5 4.0 19 5 A 6 HIS HE1 B 6 HIS HBy 1.0 0.5 4.0 20 5 A 6 HIS HE1 A 6 HIS HBx 1.0 0.5 4.0 21 6 A 6 HIS HE1 B 6 HIS HD2 1.0 1.5 4.0 22 6 A 6 HIS HD2 A 6 HIS HE1 1.0 1.5 4.0 23 7 A 6 HIS HD2 B 7 HIS HD2 1.0 0.5 3.5 24 7 A 6 HIS HD2 A 7 HIS HD2 1.0 0.5 3.5 25 8 A 7 HIS HD2 B 6 HIS HE1 1.0 1.5 4.0 26 8 A 6 HIS HE1 A 7 HIS HD2 1.0 1.5 4.0 27 9 A 6 HIS HD2 B 6 HIS HBx 1.0 0.5 4.0 28 9 A 6 HIS HD2 B 6 HIS HBy 1.0 0.5 4.0 29 9 A 6 HIS HD2 A 6 HIS HBx 1.0 0.5 4.0 30 9 A 6 HIS HD2 A 6 HIS HBy 1.0 0.5 4.0 31 10 B 2 ALA HA A 3 GLU HGy 1.0 1.0 4.5 32 10 B 2 ALA HA B 3 GLU HGx 1.0 1.0 4.5 33 10 B 3 GLU HGy B 2 ALA HA 1.0 1.0 4.5 34 10 A 3 GLU HGx B 2 ALA HA 1.0 1.0 4.5 35 11 B 6 HIS HD2 B 3 GLU HBx 1.0 0.5 4.0 36 11 B 6 HIS HD2 A 3 GLU HBy 1.0 0.5 4.0 37 11 B 3 GLU HBy B 6 HIS HD2 1.0 0.5 4.0 38 11 A 3 GLU HBx B 6 HIS HD2 1.0 0.5 4.0 39 12 B 6 HIS HE1 A 6 HIS HBy 1.0 0.5 4.0 40 12 B 6 HIS HE1 B 6 HIS HBx 1.0 0.5 4.0 41 12 B 6 HIS HBy B 6 HIS HE1 1.0 0.5 4.0 42 12 A 6 HIS HBx B 6 HIS HE1 1.0 0.5 4.0 43 13 B 6 HIS HD2 B 6 HIS HBx 1.0 0.5 4.0 44 13 B 6 HIS HD2 A 6 HIS HBy 1.0 0.5 4.0 45 13 B 6 HIS HBy B 6 HIS HD2 1.0 0.5 4.0 46 13 A 6 HIS HBx B 6 HIS HD2 1.0 0.5 4.0 47 14 B 6 HIS HE1 A 6 HIS HBy 1.0 0.5 4.0 48 14 B 6 HIS HE1 B 6 HIS HBx 1.0 0.5 4.0 49 14 B 6 HIS HBy B 6 HIS HE1 1.0 0.5 4.0 50 14 A 6 HIS HBx B 6 HIS HE1 1.0 0.5 4.0 51 15 B 6 HIS HD2 B 6 HIS HE1 1.0 1.5 4.0 52 15 A 6 HIS HD2 B 6 HIS HE1 1.0 1.5 4.0 53 16 B 6 HIS HD2 B 7 HIS HD2 1.0 0.5 3.5 54 16 B 6 HIS HD2 A 7 HIS HD2 1.0 0.5 3.5 55 17 B 7 HIS HD2 B 6 HIS HE1 1.0 1.5 4.0 56 17 A 6 HIS HE1 B 7 HIS HD2 1.0 1.5 4.0 57 18 B 6 HIS HD2 B 6 HIS HBx 1.0 0.5 4.0 58 18 B 6 HIS HD2 A 6 HIS HBy 1.0 0.5 4.0 59 18 B 6 HIS HBy B 6 HIS HD2 1.0 0.5 4.0 60 18 A 6 HIS HBx B 6 HIS HD2 1.0 0.5 4.0 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 7 HIS HE1 B 1 ASP HA 1.0 1.5 5.5 2 2 A 7 HIS HE1 B 1 ASP HBx 1.0 1.0 5.5 3 2 A 7 HIS HE1 B 1 ASP HBy 1.0 1.0 5.5 4 3 A 7 HIS HE1 B 1 ASP HBx 1.0 1.5 5.5 5 3 A 7 HIS HE1 B 1 ASP HBy 1.0 1.5 5.5 6 4 B 6 HIS HE1 A 7 HIS HE1 1.0 0.0 3.5 7 5 A 1 ASP HA A 1 ASP HBy 1.0 0.0 3.5 8 5 A 1 ASP HA A 1 ASP HBx 1.0 0.0 3.5 9 6 A 1 ASP HA A 1 ASP HBy 1.0 0.0 4.0 10 6 A 1 ASP HA A 1 ASP HBx 1.0 0.0 4.0 11 7 A 1 ASP HA A 2 ALA HB% 1.0 0.0 4.0 12 8 A 1 ASP HA A 2 ALA H 1.0 0.0 2.5 13 9 A 2 ALA H A 1 ASP HBy 1.0 0.0 3.5 14 9 A 1 ASP HBx A 2 ALA H 1.0 0.0 3.5 15 10 A 2 ALA H A 1 ASP HBy 1.0 0.0 4.0 16 10 A 1 ASP HBx A 2 ALA H 1.0 0.0 4.0 17 11 A 2 ALA HA A 2 ALA H 1.0 0.0 3.0 18 12 A 2 ALA HB% A 2 ALA H 1.0 0.0 4.0 19 13 A 2 ALA HA A 2 ALA HB% 1.0 0.0 4.0 20 14 A 2 ALA H A 5 ARG H 1.0 0.0 5.5 21 15 A 2 ALA H A 5 ARG HGx 1.0 0.0 5.5 22 15 A 2 ALA H A 5 ARG HGy 1.0 0.0 5.5 23 16 A 2 ALA HB% A 3 GLU H 1.0 0.0 3.0 24 17 A 2 ALA H A 3 GLU H 1.0 0.0 5.5 25 18 A 3 GLU H A 3 GLU HA 1.0 0.0 3.5 26 19 A 3 GLU H A 3 GLU HBy 1.0 0.0 3.5 27 19 A 3 GLU HBx A 3 GLU H 1.0 0.0 3.5 28 20 A 5 ARG H A 3 GLU H 1.0 0.0 5.0 29 21 A 6 HIS HD2 A 3 GLU H 1.0 0.0 3.5 30 22 A 2 ALA HB% A 4 PHE H 1.0 0.0 3.0 31 23 A 2 ALA HB% A 4 PHE HBy 1.0 0.0 4.0 32 23 A 2 ALA HB% A 4 PHE HBx 1.0 0.0 4.0 33 24 A 2 ALA HB% A 4 PHE HBy 1.0 0.0 4.0 34 24 A 2 ALA HB% A 4 PHE HBx 1.0 0.0 4.0 35 25 A 2 ALA HB% A 4 PHE HD% 1.0 1.0 2.5 36 26 A 2 ALA HB% A 4 PHE HE% 1.0 0.0 3.5 37 27 A 3 GLU H A 4 PHE H 1.0 0.0 3.0 38 28 A 3 GLU HA A 4 PHE H 1.0 0.0 3.5 39 29 A 4 PHE H A 4 PHE HD% 1.0 0.0 2.5 40 30 A 4 PHE H A 4 PHE HA 1.0 0.0 3.0 41 31 A 4 PHE H A 4 PHE HBy 1.0 0.0 3.0 42 31 A 4 PHE H A 4 PHE HBx 1.0 0.0 3.0 43 32 A 4 PHE HA A 4 PHE HBy 1.0 0.0 3.0 44 32 A 4 PHE HBx A 4 PHE HA 1.0 0.0 3.0 45 33 A 4 PHE H A 4 PHE HBy 1.0 0.0 3.5 46 33 A 4 PHE H A 4 PHE HBx 1.0 0.0 3.5 47 34 A 4 PHE HA A 4 PHE HBy 1.0 0.0 3.5 48 34 A 4 PHE HBx A 4 PHE HA 1.0 0.0 3.5 49 35 A 4 PHE HD% A 4 PHE HBy 1.0 0.0 3.5 50 35 A 4 PHE HBx A 4 PHE HD% 1.0 0.0 3.5 51 36 A 4 PHE HD% A 5 ARG HGx 1.0 0.0 4.0 52 36 A 5 ARG HGy A 4 PHE HD% 1.0 0.0 4.0 53 37 A 4 PHE HE% A 5 ARG HGx 1.0 0.0 4.0 54 37 A 5 ARG HGy A 4 PHE HE% 1.0 0.0 4.0 55 38 A 4 PHE HD% A 5 ARG HGx 1.0 0.0 4.0 56 38 A 5 ARG HGy A 4 PHE HD% 1.0 0.0 4.0 57 39 A 4 PHE HE% A 5 ARG HGx 1.0 0.0 4.0 58 39 A 5 ARG HGy A 4 PHE HE% 1.0 0.0 4.0 59 40 A 4 PHE H A 6 HIS H 1.0 0.0 4.0 60 41 A 1 ASP HBx A 5 ARG HGy 1.0 0.0 3.5 61 41 A 5 ARG HGy A 1 ASP HBy 1.0 0.0 3.5 62 42 A 1 ASP HBx A 5 ARG HGx 1.0 0.0 3.5 63 42 A 1 ASP HBy A 5 ARG HGx 1.0 0.0 3.5 64 43 A 2 ALA HB% A 5 ARG H 1.0 0.0 3.0 65 44 A 5 ARG H A 4 PHE H 1.0 0.0 2.5 66 45 A 5 ARG H A 4 PHE HBy 1.0 0.0 4.0 67 45 A 5 ARG H A 4 PHE HBx 1.0 0.0 4.0 68 46 A 5 ARG H A 5 ARG HA 1.0 0.0 3.0 69 47 A 5 ARG H A 5 ARG HBy 1.0 0.0 4.0 70 47 A 5 ARG H A 5 ARG HBx 1.0 0.0 4.0 71 48 A 5 ARG HA A 5 ARG HBy 1.0 0.0 4.0 72 48 A 5 ARG HA A 5 ARG HBx 1.0 0.0 4.0 73 49 A 5 ARG H A 5 ARG HBy 1.0 0.0 4.0 74 49 A 5 ARG H A 5 ARG HBx 1.0 0.0 4.0 75 50 A 5 ARG HA A 5 ARG HBy 1.0 0.0 4.0 76 50 A 5 ARG HA A 5 ARG HBx 1.0 0.0 4.0 77 51 A 5 ARG H A 5 ARG HGx 1.0 0.0 4.0 78 51 A 5 ARG H A 5 ARG HGy 1.0 0.0 4.0 79 52 A 5 ARG HA A 5 ARG HGx 1.0 0.0 4.0 80 52 A 5 ARG HGy A 5 ARG HA 1.0 0.0 4.0 81 53 A 5 ARG HDx A 5 ARG HGx 1.0 0.0 4.0 82 53 A 5 ARG HDy A 5 ARG HGx 1.0 0.0 4.0 83 53 A 5 ARG HGy A 5 ARG HDx 1.0 0.0 4.0 84 53 A 5 ARG HGy A 5 ARG HDy 1.0 0.0 4.0 85 54 A 5 ARG HA A 5 ARG HGx 1.0 0.0 4.0 86 54 A 5 ARG HGy A 5 ARG HA 1.0 0.0 4.0 87 55 A 5 ARG HDy A 5 ARG HGx 1.0 0.0 4.0 88 55 A 5 ARG HDx A 5 ARG HGx 1.0 0.0 4.0 89 55 A 5 ARG HGy A 5 ARG HDx 1.0 0.0 4.0 90 55 A 5 ARG HGy A 5 ARG HDy 1.0 0.0 4.0 91 56 A 5 ARG H A 6 HIS HBy 1.0 0.0 4.5 92 56 A 6 HIS HBx A 5 ARG H 1.0 0.0 4.5 93 57 A 3 GLU HA A 6 HIS H 1.0 0.0 4.0 94 58 A 6 HIS H A 1 ASP HBy 1.0 0.0 4.0 95 58 A 1 ASP HBx A 6 HIS H 1.0 0.0 4.0 96 59 A 6 HIS H A 5 ARG HGx 1.0 0.0 4.0 97 59 A 5 ARG HGy A 6 HIS H 1.0 0.0 4.0 98 60 A 6 HIS H A 5 ARG HGx 1.0 0.0 4.0 99 60 A 5 ARG HGy A 6 HIS H 1.0 0.0 4.0 100 61 A 5 ARG H A 6 HIS H 1.0 0.0 2.5 101 62 A 6 HIS H A 6 HIS HA 1.0 0.0 3.0 102 63 A 6 HIS H A 6 HIS HBy 1.0 0.0 3.5 103 63 A 6 HIS HBx A 6 HIS H 1.0 0.0 3.5 104 64 A 6 HIS HA A 6 HIS HBy 1.0 0.0 3.5 105 64 A 6 HIS HBx A 6 HIS HA 1.0 0.0 3.5 106 65 A 6 HIS H A 6 HIS HBy 1.0 0.0 3.5 107 65 A 6 HIS HBx A 6 HIS H 1.0 0.0 3.5 108 66 A 6 HIS HA A 6 HIS HBy 1.0 0.0 3.5 109 66 A 6 HIS HBx A 6 HIS HA 1.0 0.0 3.5 110 67 A 7 HIS HD2 A 3 GLU HGy 1.0 0.5 4.0 111 67 A 3 GLU HGx A 7 HIS HD2 1.0 0.5 4.0 112 68 A 7 HIS H A 6 HIS HBy 1.0 0.0 3.5 113 68 A 6 HIS HBx A 7 HIS H 1.0 0.0 3.5 114 69 A 7 HIS H A 6 HIS HBy 1.0 0.0 3.5 115 69 A 6 HIS HBx A 7 HIS H 1.0 0.0 3.5 116 70 A 6 HIS H A 7 HIS H 1.0 0.0 2.5 117 71 A 7 HIS HD2 A 7 HIS H 1.0 0.0 2.5 118 72 A 7 HIS H A 7 HIS HA 1.0 0.0 3.0 119 73 A 7 HIS H A 7 HIS HBy 1.0 0.0 3.5 120 73 A 7 HIS H A 7 HIS HBx 1.0 0.0 3.5 121 74 A 7 HIS HD2 A 7 HIS HBy 1.0 0.0 5.5 122 74 A 7 HIS HD2 A 7 HIS HBx 1.0 0.0 5.5 123 75 A 7 HIS H A 7 HIS HBy 1.0 0.0 3.5 124 75 A 7 HIS H A 7 HIS HBx 1.0 0.0 3.5 125 76 A 7 HIS H A 8 SER H 1.0 0.0 4.5 126 77 A 8 SER H A 8 SER HA 1.0 0.0 3.5 127 78 A 8 SER H A 8 SER HBx 1.0 0.0 3.0 128 78 A 8 SER H A 8 SER HBy 1.0 0.0 3.0 129 79 A 8 SER HA A 8 SER HBx 1.0 0.0 3.0 130 79 A 8 SER HA A 8 SER HBy 1.0 0.0 3.0 131 80 A 8 SER HA A 9 GLY H 1.0 0.0 3.0 132 81 A 9 GLY H A 9 GLY HAy 1.0 0.0 3.0 133 81 A 9 GLY H A 9 GLY HAx 1.0 0.0 3.0 134 82 A 9 GLY H A 9 GLY HAy 1.0 0.0 3.0 135 82 A 9 GLY H A 9 GLY HAx 1.0 0.0 3.0 136 83 A 10 TYR H A 9 GLY HAy 1.0 0.0 3.0 137 83 A 9 GLY HAx A 10 TYR H 1.0 0.0 3.0 138 84 A 10 TYR H A 9 GLY HAy 1.0 0.0 3.0 139 84 A 9 GLY HAx A 10 TYR H 1.0 0.0 3.0 140 85 A 10 TYR H A 10 TYR HA 1.0 0.0 3.0 141 86 A 10 TYR H A 10 TYR HBy 1.0 0.0 3.5 142 86 A 10 TYR H A 10 TYR HBx 1.0 0.0 3.5 143 87 A 10 TYR HA A 10 TYR HBy 1.0 0.0 3.5 144 87 A 10 TYR HA A 10 TYR HBx 1.0 0.0 3.5 145 88 A 10 TYR HDx A 10 TYR HBy 1.0 0.0 3.5 146 88 A 10 TYR HBx A 10 TYR HDx 1.0 0.0 3.5 147 89 A 10 TYR H A 10 TYR HDx 1.0 0.0 2.5 148 90 A 10 TYR HDx A 10 TYR HEx 1.0 0.0 2.5 149 91 A 2 ALA HB% A 1 ASP HBy 1.0 0.0 4.5 150 91 A 1 ASP HBx A 2 ALA HB% 1.0 0.0 4.5 151 92 A 2 ALA H A 4 PHE HD% 1.0 0.0 4.5 152 93 A 2 ALA H A 5 ARG HDx 1.0 0.0 5.0 153 93 A 2 ALA H A 5 ARG HDy 1.0 0.0 5.0 154 94 A 2 ALA HA A 3 GLU H 1.0 0.0 2.5 155 95 A 3 GLU H A 3 GLU HBy 1.0 0.0 3.5 156 95 A 3 GLU HBx A 3 GLU H 1.0 0.0 3.5 157 96 A 3 GLU H A 3 GLU HGy 1.0 0.0 4.5 158 96 A 3 GLU HGx A 3 GLU H 1.0 0.0 4.5 159 97 A 3 GLU H A 4 PHE HD% 1.0 0.0 4.5 160 98 A 2 ALA HA A 4 PHE H 1.0 0.0 4.5 161 99 A 4 PHE H A 3 GLU HBy 1.0 0.0 3.5 162 99 A 3 GLU HBx A 4 PHE H 1.0 0.0 3.5 163 100 A 4 PHE H A 3 GLU HGy 1.0 0.0 4.5 164 100 A 3 GLU HGx A 4 PHE H 1.0 0.0 4.5 165 101 A 4 PHE HD% A 4 PHE HBy 1.0 0.0 3.0 166 101 A 4 PHE HBx A 4 PHE HD% 1.0 0.0 3.0 167 102 A 4 PHE HA A 7 HIS HBy 1.0 0.0 4.5 168 102 A 4 PHE HA A 7 HIS HBx 1.0 0.0 4.5 169 103 A 5 ARG H A 1 ASP HBy 1.0 0.0 4.5 170 103 A 1 ASP HBx A 5 ARG H 1.0 0.0 4.5 171 104 A 5 ARG H A 4 PHE HA 1.0 0.0 3.5 172 105 A 5 ARG H A 4 PHE HBy 1.0 0.0 4.0 173 105 A 5 ARG H A 4 PHE HBx 1.0 0.0 4.0 174 106 A 5 ARG HA A 5 ARG HDx 1.0 0.0 4.5 175 106 A 5 ARG HA A 5 ARG HDy 1.0 0.0 4.5 176 107 A 5 ARG H A 5 ARG HGx 1.0 0.0 4.0 177 107 A 5 ARG H A 5 ARG HGy 1.0 0.0 4.0 178 108 A 6 HIS H A 1 ASP HBy 1.0 0.0 3.5 179 108 A 1 ASP HBx A 6 HIS H 1.0 0.0 3.5 180 109 A 6 HIS HE1 A 1 ASP HBy 1.0 0.0 3.5 181 109 A 6 HIS HE1 A 1 ASP HBx 1.0 0.0 3.5 182 110 A 4 PHE HA A 6 HIS H 1.0 0.0 4.5 183 111 A 6 HIS H A 5 ARG HA 1.0 0.0 3.5 184 112 A 6 HIS H A 5 ARG HBy 1.0 0.0 4.0 185 112 A 6 HIS H A 5 ARG HBx 1.0 0.0 4.0 186 113 A 5 ARG H A 7 HIS H 1.0 0.0 4.0 187 114 A 6 HIS HA A 7 HIS H 1.0 0.0 3.5 188 115 A 7 HIS HA A 8 SER H 1.0 0.0 3.5 189 116 A 10 TYR H A 10 TYR HBy 1.0 0.0 3.5 190 116 A 10 TYR H A 10 TYR HBx 1.0 0.0 3.5 191 117 A 10 TYR HDx A 10 TYR HBy 1.0 0.0 3.5 192 117 A 10 TYR HBx A 10 TYR HDx 1.0 0.0 3.5 193 118 A 2 ALA HA A 6 HIS HD2 1.0 0.0 4.5 194 119 A 6 HIS HD2 A 2 ALA HB% 1.0 0.0 5.5 195 120 A 6 HIS HD2 A 3 GLU HA 1.0 0.0 3.5 196 121 A 6 HIS HE1 A 1 ASP HBy 1.0 0.0 4.5 197 121 A 6 HIS HE1 A 1 ASP HBx 1.0 0.0 4.5 198 122 A 6 HIS HD2 A 6 HIS H 1.0 0.0 4.0 199 123 A 7 HIS HD2 A 3 GLU HA 1.0 0.0 3.5 200 124 A 7 HIS HD2 A 3 GLU HBy 1.0 0.0 4.0 201 124 A 3 GLU HBx A 7 HIS HD2 1.0 0.0 4.0 202 125 A 7 HIS HD2 A 6 HIS H 1.0 0.5 4.5 203 126 A 7 HIS HE1 A 6 HIS HBy 1.0 0.0 5.5 204 126 A 6 HIS HBx A 7 HIS HE1 1.0 0.0 5.5 205 127 A 7 HIS HD2 A 6 HIS HBy 1.0 0.0 4.0 206 127 A 6 HIS HBx A 7 HIS HD2 1.0 0.0 4.0 207 128 B 1 ASP HA B 1 ASP HBx 1.0 0.0 3.5 208 128 B 1 ASP HA B 1 ASP HBy 1.0 0.0 3.5 209 129 B 1 ASP HA B 1 ASP HBx 1.0 0.0 4.0 210 129 B 1 ASP HA B 1 ASP HBy 1.0 0.0 4.0 211 130 B 1 ASP HA B 2 ALA HB1 1.0 0.0 4.0 212 131 B 1 ASP HA B 2 ALA H 1.0 0.0 2.5 213 132 B 2 ALA H B 1 ASP HBx 1.0 0.0 3.5 214 132 B 1 ASP HBy B 2 ALA H 1.0 0.0 3.5 215 133 B 2 ALA H B 1 ASP HBx 1.0 0.0 4.0 216 133 B 1 ASP HBy B 2 ALA H 1.0 0.0 4.0 217 134 B 2 ALA HA B 2 ALA H 1.0 0.0 3.0 218 135 B 2 ALA HB1 B 2 ALA H 1.0 0.0 4.0 219 136 B 2 ALA HA B 2 ALA HB1 1.0 0.0 4.0 220 137 B 2 ALA H B 5 ARG H 1.0 0.0 5.5 221 138 B 2 ALA H B 5 ARG HGy 1.0 0.0 5.5 222 138 B 2 ALA H B 5 ARG HGx 1.0 0.0 5.5 223 139 B 2 ALA HB1 B 3 GLU H 1.0 0.0 3.0 224 140 B 2 ALA H B 3 GLU H 1.0 0.0 5.5 225 141 B 3 GLU H B 3 GLU HA 1.0 0.0 3.5 226 142 B 3 GLU H B 3 GLU HBx 1.0 0.0 3.5 227 142 B 3 GLU HBy B 3 GLU H 1.0 0.0 3.5 228 143 B 5 ARG H B 3 GLU H 1.0 0.0 5.0 229 144 B 6 HIS HD2 B 3 GLU H 1.0 0.0 3.5 230 145 B 2 ALA HB1 B 4 PHE H 1.0 0.0 3.0 231 146 B 2 ALA HB1 B 4 PHE HBx 1.0 0.0 4.0 232 146 B 2 ALA HB1 B 4 PHE HBy 1.0 0.0 4.0 233 147 B 2 ALA HB1 B 4 PHE HBx 1.0 0.0 4.0 234 147 B 2 ALA HB1 B 4 PHE HBy 1.0 0.0 4.0 235 148 B 2 ALA HB1 B 4 PHE HD% 1.0 1.0 2.5 236 149 B 2 ALA HB1 B 4 PHE HE% 1.0 0.0 3.5 237 150 B 3 GLU H B 4 PHE H 1.0 0.0 3.0 238 151 B 3 GLU HA B 4 PHE H 1.0 0.0 3.5 239 152 B 4 PHE H B 4 PHE HD% 1.0 0.0 2.5 240 153 B 4 PHE H B 4 PHE HA 1.0 0.0 3.0 241 154 B 4 PHE H B 4 PHE HBx 1.0 0.0 3.0 242 154 B 4 PHE H B 4 PHE HBy 1.0 0.0 3.0 243 155 B 4 PHE HA B 4 PHE HBx 1.0 0.0 3.0 244 155 B 4 PHE HBy B 4 PHE HA 1.0 0.0 3.0 245 156 B 4 PHE H B 4 PHE HBx 1.0 0.0 3.5 246 156 B 4 PHE H B 4 PHE HBy 1.0 0.0 3.5 247 157 B 4 PHE HA B 4 PHE HBx 1.0 0.0 3.5 248 157 B 4 PHE HBy B 4 PHE HA 1.0 0.0 3.5 249 158 B 4 PHE HD% B 4 PHE HBx 1.0 0.0 3.5 250 158 B 4 PHE HBy B 4 PHE HD% 1.0 0.0 3.5 251 159 B 4 PHE HD% B 5 ARG HGy 1.0 0.0 4.0 252 159 B 5 ARG HGx B 4 PHE HD% 1.0 0.0 4.0 253 160 B 4 PHE HE% B 5 ARG HGy 1.0 0.0 4.0 254 160 B 5 ARG HGx B 4 PHE HE% 1.0 0.0 4.0 255 161 B 4 PHE HD% B 5 ARG HGy 1.0 0.0 4.0 256 161 B 5 ARG HGx B 4 PHE HD% 1.0 0.0 4.0 257 162 B 4 PHE HE% B 5 ARG HGy 1.0 0.0 4.0 258 162 B 5 ARG HGx B 4 PHE HE% 1.0 0.0 4.0 259 163 B 4 PHE H B 6 HIS H 1.0 0.0 4.0 260 164 B 5 ARG HGx B 1 ASP HBx 1.0 0.0 3.5 261 164 B 1 ASP HBy B 5 ARG HGx 1.0 0.0 3.5 262 165 B 1 ASP HBy B 5 ARG HGy 1.0 0.0 3.5 263 165 B 1 ASP HBx B 5 ARG HGy 1.0 0.0 3.5 264 166 B 2 ALA HB1 B 5 ARG H 1.0 0.0 3.0 265 167 B 5 ARG H B 4 PHE H 1.0 0.0 2.5 266 168 B 5 ARG H B 4 PHE HBx 1.0 0.0 4.0 267 168 B 5 ARG H B 4 PHE HBy 1.0 0.0 4.0 268 169 B 5 ARG H B 5 ARG HA 1.0 0.0 3.0 269 170 B 5 ARG H B 5 ARG HBx 1.0 0.0 4.0 270 170 B 5 ARG H B 5 ARG HBy 1.0 0.0 4.0 271 171 B 5 ARG HA B 5 ARG HBx 1.0 0.0 4.0 272 171 B 5 ARG HA B 5 ARG HBy 1.0 0.0 4.0 273 172 B 5 ARG H B 5 ARG HBx 1.0 0.0 4.0 274 172 B 5 ARG H B 5 ARG HBy 1.0 0.0 4.0 275 173 B 5 ARG HA B 5 ARG HBx 1.0 0.0 4.0 276 173 B 5 ARG HA B 5 ARG HBy 1.0 0.0 4.0 277 174 B 5 ARG H B 5 ARG HGy 1.0 0.0 4.0 278 174 B 5 ARG H B 5 ARG HGx 1.0 0.0 4.0 279 175 B 5 ARG HA B 5 ARG HGy 1.0 0.0 4.0 280 175 B 5 ARG HGx B 5 ARG HA 1.0 0.0 4.0 281 176 B 5 ARG HDx B 5 ARG HGy 1.0 0.0 4.0 282 176 B 5 ARG HDy B 5 ARG HGy 1.0 0.0 4.0 283 176 B 5 ARG HGx B 5 ARG HDx 1.0 0.0 4.0 284 176 B 5 ARG HGx B 5 ARG HDy 1.0 0.0 4.0 285 177 B 5 ARG HA B 5 ARG HGy 1.0 0.0 4.0 286 177 B 5 ARG HGx B 5 ARG HA 1.0 0.0 4.0 287 178 B 5 ARG HDx B 5 ARG HGy 1.0 0.0 4.0 288 178 B 5 ARG HDy B 5 ARG HGy 1.0 0.0 4.0 289 178 B 5 ARG HGx B 5 ARG HDx 1.0 0.0 4.0 290 178 B 5 ARG HGx B 5 ARG HDy 1.0 0.0 4.0 291 179 B 5 ARG H B 6 HIS HBx 1.0 0.0 4.5 292 179 B 6 HIS HBy B 5 ARG H 1.0 0.0 4.5 293 180 B 3 GLU HA B 6 HIS H 1.0 0.0 4.0 294 181 B 6 HIS H B 1 ASP HBx 1.0 0.0 4.0 295 181 B 1 ASP HBy B 6 HIS H 1.0 0.0 4.0 296 182 B 6 HIS H B 5 ARG HGy 1.0 0.0 4.0 297 182 B 5 ARG HGx B 6 HIS H 1.0 0.0 4.0 298 183 B 6 HIS H B 5 ARG HGy 1.0 0.0 4.0 299 183 B 5 ARG HGx B 6 HIS H 1.0 0.0 4.0 300 184 B 5 ARG H B 6 HIS H 1.0 0.0 2.5 301 185 B 6 HIS H B 6 HIS HA 1.0 0.0 3.0 302 186 B 6 HIS H B 6 HIS HBx 1.0 0.0 3.5 303 186 B 6 HIS HBy B 6 HIS H 1.0 0.0 3.5 304 187 B 6 HIS HA B 6 HIS HBx 1.0 0.0 3.5 305 187 B 6 HIS HBy B 6 HIS HA 1.0 0.0 3.5 306 188 B 6 HIS H B 6 HIS HBx 1.0 0.0 3.5 307 188 B 6 HIS HBy B 6 HIS H 1.0 0.0 3.5 308 189 B 6 HIS HA B 6 HIS HBx 1.0 0.0 3.5 309 189 B 6 HIS HBy B 6 HIS HA 1.0 0.0 3.5 310 190 B 7 HIS HD2 B 3 GLU HGx 1.0 0.5 4.0 311 190 B 3 GLU HGy B 7 HIS HD2 1.0 0.5 4.0 312 191 B 7 HIS H B 6 HIS HBx 1.0 0.0 3.5 313 191 B 6 HIS HBy B 7 HIS H 1.0 0.0 3.5 314 192 B 7 HIS H B 6 HIS HBx 1.0 0.0 3.5 315 192 B 6 HIS HBy B 7 HIS H 1.0 0.0 3.5 316 193 B 6 HIS H B 7 HIS H 1.0 0.0 2.5 317 194 B 7 HIS HD2 B 7 HIS H 1.0 0.0 2.5 318 195 B 7 HIS H B 7 HIS HA 1.0 0.0 3.0 319 196 B 7 HIS H B 7 HIS HBx 1.0 0.0 3.5 320 196 B 7 HIS H B 7 HIS HBy 1.0 0.0 3.5 321 197 B 7 HIS HD2 B 7 HIS HBx 1.0 0.0 5.5 322 197 B 7 HIS HD2 B 7 HIS HBy 1.0 0.0 5.5 323 198 B 7 HIS H B 7 HIS HBx 1.0 0.0 3.5 324 198 B 7 HIS H B 7 HIS HBy 1.0 0.0 3.5 325 199 B 7 HIS H B 8 SER H 1.0 0.0 4.5 326 200 B 8 SER H B 8 SER HA 1.0 0.0 3.5 327 201 B 8 SER H B 8 SER HBx 1.0 0.0 3.0 328 201 B 8 SER H B 8 SER HBy 1.0 0.0 3.0 329 202 B 8 SER HA B 8 SER HBx 1.0 0.0 3.0 330 202 B 8 SER HA B 8 SER HBy 1.0 0.0 3.0 331 203 B 8 SER HA B 9 GLY H 1.0 0.0 3.0 332 204 B 9 GLY H B 9 GLY HAx 1.0 0.0 3.0 333 204 B 9 GLY H B 9 GLY HAy 1.0 0.0 3.0 334 205 B 9 GLY H B 9 GLY HAx 1.0 0.0 3.0 335 205 B 9 GLY H B 9 GLY HAy 1.0 0.0 3.0 336 206 B 10 TYR H B 9 GLY HAx 1.0 0.0 3.0 337 206 B 9 GLY HAy B 10 TYR H 1.0 0.0 3.0 338 207 B 10 TYR H B 9 GLY HAx 1.0 0.0 3.0 339 207 B 9 GLY HAy B 10 TYR H 1.0 0.0 3.0 340 208 B 10 TYR H B 10 TYR HA 1.0 0.0 3.0 341 209 B 10 TYR H B 10 TYR HBx 1.0 0.0 3.5 342 209 B 10 TYR H B 10 TYR HBy 1.0 0.0 3.5 343 210 B 10 TYR HA B 10 TYR HBx 1.0 0.0 3.5 344 210 B 10 TYR HA B 10 TYR HBy 1.0 0.0 3.5 345 211 B 10 TYR HDx B 10 TYR HBx 1.0 0.0 3.5 346 211 B 10 TYR HBy B 10 TYR HDx 1.0 0.0 3.5 347 212 B 10 TYR H B 10 TYR HDx 1.0 0.0 2.5 348 213 B 10 TYR HDx B 10 TYR HEx 1.0 0.0 2.5 349 214 B 2 ALA HB1 B 1 ASP HBx 1.0 0.0 4.5 350 214 B 1 ASP HBy B 2 ALA HB1 1.0 0.0 4.5 351 215 B 2 ALA H B 4 PHE HD% 1.0 0.0 4.5 352 216 B 2 ALA H B 5 ARG HDx 1.0 0.0 5.0 353 216 B 2 ALA H B 5 ARG HDy 1.0 0.0 5.0 354 217 B 2 ALA HA B 3 GLU H 1.0 0.0 2.5 355 218 B 3 GLU H B 3 GLU HBx 1.0 0.0 3.5 356 218 B 3 GLU HBy B 3 GLU H 1.0 0.0 3.5 357 219 B 3 GLU H B 3 GLU HGx 1.0 0.0 4.5 358 219 B 3 GLU HGy B 3 GLU H 1.0 0.0 4.5 359 220 B 3 GLU H B 4 PHE HD% 1.0 0.0 4.5 360 221 B 2 ALA HA B 4 PHE H 1.0 0.0 4.5 361 222 B 4 PHE H B 3 GLU HBx 1.0 0.0 3.5 362 222 B 3 GLU HBy B 4 PHE H 1.0 0.0 3.5 363 223 B 4 PHE H B 3 GLU HGx 1.0 0.0 4.5 364 223 B 3 GLU HGy B 4 PHE H 1.0 0.0 4.5 365 224 B 4 PHE HD% B 4 PHE HBx 1.0 0.0 3.0 366 224 B 4 PHE HBy B 4 PHE HD% 1.0 0.0 3.0 367 225 B 4 PHE HA B 7 HIS HBx 1.0 0.0 4.5 368 225 B 4 PHE HA B 7 HIS HBy 1.0 0.0 4.5 369 226 B 5 ARG H B 1 ASP HBx 1.0 0.0 4.5 370 226 B 1 ASP HBy B 5 ARG H 1.0 0.0 4.5 371 227 B 5 ARG H B 4 PHE HA 1.0 0.0 3.5 372 228 B 5 ARG H B 4 PHE HBx 1.0 0.0 4.0 373 228 B 5 ARG H B 4 PHE HBy 1.0 0.0 4.0 374 229 B 5 ARG HA B 5 ARG HDx 1.0 0.0 4.5 375 229 B 5 ARG HA B 5 ARG HDy 1.0 0.0 4.5 376 230 B 5 ARG H B 5 ARG HGy 1.0 0.0 4.0 377 230 B 5 ARG H B 5 ARG HGx 1.0 0.0 4.0 378 231 B 6 HIS H B 1 ASP HBx 1.0 0.0 3.5 379 231 B 1 ASP HBy B 6 HIS H 1.0 0.0 3.5 380 232 B 6 HIS HE1 B 1 ASP HBx 1.0 0.0 3.5 381 232 B 6 HIS HE1 B 1 ASP HBy 1.0 0.0 3.5 382 233 B 4 PHE HA B 6 HIS H 1.0 0.0 4.5 383 234 B 6 HIS H B 5 ARG HA 1.0 0.0 3.5 384 235 B 6 HIS H B 5 ARG HBx 1.0 0.0 4.0 385 235 B 6 HIS H B 5 ARG HBy 1.0 0.0 4.0 386 236 B 5 ARG H B 7 HIS H 1.0 0.0 4.0 387 237 B 6 HIS HA B 7 HIS H 1.0 0.0 3.5 388 238 B 7 HIS HA B 8 SER H 1.0 0.0 3.5 389 239 B 10 TYR H B 10 TYR HBx 1.0 0.0 3.5 390 239 B 10 TYR H B 10 TYR HBy 1.0 0.0 3.5 391 240 B 10 TYR HDx B 10 TYR HBx 1.0 0.0 3.5 392 240 B 10 TYR HBy B 10 TYR HDx 1.0 0.0 3.5 393 241 B 6 HIS HD2 B 2 ALA HA 1.0 0.0 4.5 394 242 B 6 HIS HD2 B 2 ALA HB1 1.0 0.0 5.5 395 243 B 6 HIS HD2 B 3 GLU HA 1.0 0.0 3.5 396 244 B 6 HIS HE1 B 1 ASP HBx 1.0 0.0 4.5 397 244 B 6 HIS HE1 B 1 ASP HBy 1.0 0.0 4.5 398 245 B 6 HIS HD2 B 6 HIS H 1.0 0.0 4.0 399 246 B 7 HIS HD2 B 3 GLU HA 1.0 0.0 3.5 400 247 B 7 HIS HD2 B 3 GLU HBx 1.0 0.0 4.0 401 247 B 3 GLU HBy B 7 HIS HD2 1.0 0.0 4.0 402 248 B 7 HIS HD2 B 6 HIS H 1.0 0.5 4.5 403 249 B 7 HIS HE1 B 6 HIS HBx 1.0 0.0 5.5 404 249 B 6 HIS HBy B 7 HIS HE1 1.0 0.0 5.5 stop_ save_