AQ2X - Converting distance restraints ------------------------------------- AQ2X - Aqua program directory: /u/jurgen/src/aqua3.2 * * Processing coordinate file 1xxx_1.pdb into Aqua file * ===== Welcome to AquaWhat ===== version 3.2 called with arguments: set batch on exec aqua readone 1xxx_1.pdb write tmp quit Project name: 1xxx_1 (in StrucsetInit: Initialization of strucset completed) Option (word): Option (word): Option (word): Option : Option (integer): <0> Main menu - choose command from: exec, set, read, readone, quit Option : Option (word): Main menu - choose command from: exec, set, read, readone, quit Ignoring option Main menu - choose command from: exec, set, read, readone, quit Option (word): Main menu - choose command from: exec, set, read, readone, quit Ignoring option Main menu - choose command from: exec, set, read, readone, quit (in ReadMenu: starting to read strucset ) (in ReadMenu: using the routines from AquaFuncts_io.c) Will read 2941 atoms from each file Next file <1xxx_1.pdb>: (in Alloc_cv: memory allocated) Warning - rewinding the input file before reading next structure structure 1 read (in ToAqua_cv: allocating new molecule) (in FillAtoms_cv: allocating 2941 atoms in new molecule) (in MakeResidues: allocating 188 residues in molecule of strucset ) (in ToAqua_cv: allocating new structure) (in FillCoords_cv: allocating coordinates in new structure) Read 1 structure(s) from file <1xxx_1.pdb> (in Free_cv: memory freed) The set now contains 1 structure(s) (in MapAtomsInSet: preparing to map atom names in strucset ) Now opening: /u/jurgen/src/aqua3.2/data/AtomLIB-pdb (in ProcessAtomLIB: reading standard AtomLIB) (in ProcessAtomLIB: 982 atom name definitions read) (in MapAtomsInMol: mapping external to internal atom names) (in MapAtomsInMol: using routine FindAtom3) External atom name not found: (1) GLY 1 HT1 copying atom name instead External atom name not found: (1) GLY 1 HT2 copying atom name instead External atom name not found: (1) GLY 1 HT3 copying atom name instead External atom name not found: (188) GLY 394 OT1 copying atom name instead External atom name not found: (188) GLY 394 OT2 copying atom name instead * One or more atoms could not be found in the AtomLIB (in WriteMenu: starting to write strucset ) Now opening: 1xxx_1_orig_tmp.set 1 structure has been written * Number of structures: 1 * Number of residues: 188 * Number of atoms: 2941 * * Processing restraint file temp.all * ===== Welcome to AquaHow ===== version 3.2 called with arguments: set batch on exec aqua mol orig tmp noe aqua temp.all out xplor 1xxx_noe.temp ' Converted from temp.all (AQUA version 3.2)' quit Project name: 1xxx_1 (in StrucsetInit: Initialization of strucset completed) Option (word): Option : Option : Option : Option (word): Option (integer): <0> Main menu - choose command from: exec, set, sets, readinf, mol, quit Option : Ignoring option Main menu - choose command from: exec, set, sets, readinf, mol, quit Option : Main menu - choose command from: exec, set, sets, readinf, mol, quit Option (word): Main menu - choose command from: exec, set, sets, readinf, mol, quit Option : Main menu - choose command from: exec, set, sets, readinf, mol, quit Now opening: 1xxx_1_orig_tmp.set (in MakeResidues: allocating 188 residues in molecule of strucset ) A molecule has been read Coordinate set 1 has been read 1 Coordinate set has been read (in ProcessDRInput: Beginning restraint input) Restraint-file opened for reading in format Will read 4063 restraints (in ReadRestraintFile: expecting restraints of type NOE) * Read 4063 distance restraints successfully! (in ProcessDRInput: Restraint input finished) (in MapDRInput: mapping atom names) (in MapAtomsInDRestraints: preparing to map atom names in the restraint list) Now opening: /u/jurgen/src/aqua3.2/data/AtomLIB-diana (in ProcessAtomLIB: reading standard AtomLIB) (in ProcessAtomLIB: 489 atom name definitions read) (in MapAtomsIn1DR: mapping external to internal atom names) (in MapAtomsIn1DR: using routine FindAtom3) (in MapAtomsIn1DR: guessing ON) Option (word): External atom name remapped for: (0) GLY 87 H on: HN External atom name not found: (0) GLY 5 HA3 copying atom name instead External atom name remapped for: (0) GLY 5 H on: HN External atom name remapped for: (0) GLU 7 H on: HN External atom name remapped for: (0) GLY 5 H on: HN External atom name remapped for: (0) GLU 7 H on: HN External atom name remapped for: (0) GLY 5 H on: HN External atom name remapped for: (0) GLU 7 H on: HN External atom name remapped for: (0) GLU 7 H on: HN External atom name remapped for: (0) ARG 12 H on: HN External atom name remapped for: (0) GLN 71 H on: HN External atom name remapped for: (0) GLN 48 H on: HN External atom name remapped for: (0) ARG 44 H on: HN External atom name remapped for: (0) GLU 47 H on: HN External atom name remapped for: (0) LYS 46 H on: HN External atom name remapped for: (0) TRP 38 H on: HN External atom name remapped for: (0) ARG 12 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) ALA 82 H on: HN External atom name remapped for: (0) GLU 79 H on: HN External atom name remapped for: (0) ALA 27 H on: HN External atom name remapped for: (0) GLU 19 H on: HN External atom name remapped for: (0) LEU 62 H on: HN External atom name remapped for: (0) ILE 66 H on: HN External atom name remapped for: (0) VAL 70 H on: HN External atom name remapped for: (0) GLN 67 H on: HN External atom name remapped for: (0) ALA 81 H on: HN External atom name remapped for: (0) ALA 82 H on: HN External atom name remapped for: (0) GLY 76 H on: HN External atom name remapped for: (0) LEU 84 H on: HN External atom name remapped for: (0) ALA 83 H on: HN External atom name remapped for: (0) GLN 30 H on: HN External atom name remapped for: (0) ALA 29 H on: HN External atom name not found: (0) GLY 60 HA3 copying atom name instead External atom name remapped for: (0) LEU 62 H on: HN External atom name remapped for: (0) ALA 61 H on: HN External atom name remapped for: (0) LEU 59 H on: HN External atom name remapped for: (0) PHE 58 H on: HN External atom name remapped for: (0) VAL 43 H on: HN External atom name remapped for: (0) ARG 44 H on: HN External atom name remapped for: (0) GLU 42 H on: HN External atom name remapped for: (0) THR 22 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) GLU 19 H on: HN External atom name remapped for: (0) GLU 26 H on: HN External atom name remapped for: (0) LEU 39 H on: HN External atom name remapped for: (0) ARG 40 H on: HN External atom name remapped for: (0) ALA 8 H on: HN External atom name remapped for: (0) ARG 69 H on: HN External atom name remapped for: (0) ALA 68 H on: HN External atom name remapped for: (0) ARG 10 H on: HN External atom name remapped for: (0) LEU 11 H on: HN External atom name remapped for: (0) ARG 12 H on: HN External atom name remapped for: (0) LEU 11 H on: HN External atom name remapped for: (0) GLY 87 H on: HN External atom name remapped for: (0) ALA 61 H on: HN External atom name remapped for: (0) LEU 62 H on: HN External atom name remapped for: (0) LEU 11 H on: HN External atom name remapped for: (0) ALA 29 H on: HN External atom name remapped for: (0) ARG 89 H on: HN External atom name remapped for: (0) ARG 89 H on: HN External atom name remapped for: (0) GLU 56 H on: HN External atom name remapped for: (0) ARG 40 H on: HN External atom name remapped for: (0) LEU 39 H on: HN External atom name remapped for: (0) LEU 11 H on: HN External atom name remapped for: (0) LEU 11 H on: HN External atom name remapped for: (0) ARG 14 H on: HN External atom name remapped for: (0) ARG 12 H on: HN External atom name remapped for: (0) ARG 12 H on: HN External atom name remapped for: (0) PHE 16 H on: HN External atom name remapped for: (0) CYS 15 H on: HN External atom name remapped for: (0) PHE 16 H on: HN External atom name remapped for: (0) PHE 16 H on: HN External atom name remapped for: (0) HIS 17 H on: HN External atom name remapped for: (0) HIS 17 H on: HN External atom name remapped for: (0) GLN 67 H on: HN External atom name remapped for: (0) TYR 18 H on: HN External atom name remapped for: (0) GLU 19 H on: HN External atom name remapped for: (0) THR 22 H on: HN External atom name remapped for: (0) GLU 19 H on: HN External atom name remapped for: (0) THR 22 H on: HN External atom name remapped for: (0) GLN 37 H on: HN External atom name remapped for: (0) GLY 23 H on: HN External atom name not found: (0) GLY 23 HA3 copying atom name instead External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) GLY 23 H on: HN External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) GLY 23 H on: HN External atom name remapped for: (0) THR 22 H on: HN External atom name remapped for: (0) GLU 20 H on: HN External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) GLU 26 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) ALA 29 H on: HN External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) GLU 26 H on: HN External atom name remapped for: (0) GLU 26 H on: HN External atom name remapped for: (0) GLU 26 H on: HN External atom name remapped for: (0) GLN 30 H on: HN External atom name remapped for: (0) GLU 26 H on: HN External atom name remapped for: (0) GLN 30 H on: HN External atom name remapped for: (0) GLU 26 H on: HN External atom name remapped for: (0) ALA 27 H on: HN External atom name remapped for: (0) LEU 31 H on: HN External atom name remapped for: (0) ALA 29 H on: HN External atom name remapped for: (0) ALA 29 H on: HN External atom name remapped for: (0) GLU 379 H on: HN External atom name remapped for: (0) ALA 29 H on: HN External atom name remapped for: (0) ALA 381 H on: HN External atom name remapped for: (0) GLN 30 H on: HN External atom name remapped for: (0) LEU 31 H on: HN External atom name remapped for: (0) LEU 31 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) PHE 358 H on: HN External atom name remapped for: (0) LEU 31 H on: HN External atom name remapped for: (0) PHE 358 H on: HN External atom name remapped for: (0) GLU 33 H on: HN External atom name remapped for: (0) GLU 33 H on: HN External atom name remapped for: (0) ARG 32 H on: HN External atom name remapped for: (0) GLU 33 H on: HN External atom name remapped for: (0) GLU 33 H on: HN External atom name remapped for: (0) LEU 34 H on: HN External atom name remapped for: (0) LEU 34 H on: HN External atom name remapped for: (0) GLU 33 H on: HN External atom name remapped for: (0) CYS 35 H on: HN External atom name remapped for: (0) GLN 37 H on: HN External atom name remapped for: (0) CYS 35 H on: HN External atom name remapped for: (0) CYS 35 H on: HN External atom name remapped for: (0) LEU 34 H on: HN External atom name remapped for: (0) CYS 35 H on: HN External atom name remapped for: (0) CYS 35 H on: HN External atom name remapped for: (0) ARG 36 H on: HN External atom name remapped for: (0) CYS 35 H on: HN External atom name remapped for: (0) ARG 36 H on: HN External atom name remapped for: (0) ARG 36 H on: HN External atom name remapped for: (0) ARG 36 H on: HN External atom name remapped for: (0) ARG 40 H on: HN External atom name remapped for: (0) ARG 40 H on: HN External atom name remapped for: (0) ARG 40 H on: HN External atom name remapped for: (0) ARG 36 H on: HN External atom name remapped for: (0) ARG 40 H on: HN External atom name remapped for: (0) TRP 38 H on: HN External atom name remapped for: (0) TRP 38 H on: HN External atom name remapped for: (0) TRP 38 H on: HN External atom name remapped for: (0) LEU 39 H on: HN External atom name remapped for: (0) ARG 10 H on: HN External atom name remapped for: (0) TRP 38 H on: HN External atom name remapped for: (0) LEU 39 H on: HN External atom name remapped for: (0) ARG 44 H on: HN External atom name remapped for: (0) LEU 39 H on: HN External atom name remapped for: (0) ARG 40 H on: HN External atom name remapped for: (0) LEU 39 H on: HN External atom name remapped for: (0) ARG 44 H on: HN External atom name remapped for: (0) GLU 42 H on: HN External atom name remapped for: (0) GLU 42 H on: HN External atom name remapped for: (0) VAL 43 H on: HN External atom name remapped for: (0) VAL 43 H on: HN External atom name remapped for: (0) ARG 44 H on: HN External atom name remapped for: (0) ARG 44 H on: HN External atom name remapped for: (0) ARG 332 H on: HN External atom name remapped for: (0) GLU 42 H on: HN External atom name remapped for: (0) VAL 43 H on: HN External atom name remapped for: (0) SER 45 H on: HN External atom name remapped for: (0) SER 45 H on: HN External atom name remapped for: (0) ARG 44 H on: HN External atom name remapped for: (0) SER 45 H on: HN External atom name remapped for: (0) GLU 47 H on: HN External atom name remapped for: (0) GLU 47 H on: HN External atom name remapped for: (0) GLU 47 H on: HN External atom name remapped for: (0) GLU 47 H on: HN External atom name remapped for: (0) LYS 46 H on: HN External atom name remapped for: (0) MET 49 H on: HN External atom name remapped for: (0) LEU 50 H on: HN External atom name remapped for: (0) GLN 48 H on: HN External atom name remapped for: (0) GLU 47 H on: HN External atom name remapped for: (0) LEU 50 H on: HN External atom name remapped for: (0) GLN 48 H on: HN External atom name remapped for: (0) GLN 48 H on: HN External atom name remapped for: (0) LEU 50 H on: HN External atom name remapped for: (0) GLN 48 H on: HN External atom name remapped for: (0) LEU 50 H on: HN External atom name remapped for: (0) LEU 50 H on: HN External atom name remapped for: (0) MET 49 H on: HN External atom name remapped for: (0) LEU 50 H on: HN External atom name remapped for: (0) GLU 51 H on: HN External atom name remapped for: (0) VAL 54 H on: HN External atom name remapped for: (0) LEU 52 H on: HN External atom name remapped for: (0) VAL 54 H on: HN External atom name remapped for: (0) LEU 50 H on: HN External atom name remapped for: (0) LEU 52 H on: HN External atom name remapped for: (0) LEU 53 H on: HN External atom name remapped for: (0) LEU 52 H on: HN External atom name remapped for: (0) LEU 53 H on: HN External atom name remapped for: (0) LEU 53 H on: HN External atom name remapped for: (0) LEU 53 H on: HN External atom name remapped for: (0) VAL 54 H on: HN External atom name remapped for: (0) LEU 53 H on: HN External atom name remapped for: (0) VAL 54 H on: HN External atom name remapped for: (0) VAL 54 H on: HN External atom name remapped for: (0) LEU 52 H on: HN External atom name remapped for: (0) LEU 52 H on: HN External atom name remapped for: (0) VAL 54 H on: HN External atom name remapped for: (0) GLN 57 H on: HN External atom name remapped for: (0) PHE 58 H on: HN External atom name remapped for: (0) LEU 55 H on: HN External atom name remapped for: (0) VAL 54 H on: HN External atom name remapped for: (0) LEU 55 H on: HN External atom name remapped for: (0) LEU 55 H on: HN External atom name remapped for: (0) VAL 54 H on: HN External atom name remapped for: (0) LEU 55 H on: HN External atom name remapped for: (0) LEU 55 H on: HN External atom name remapped for: (0) LEU 55 H on: HN External atom name remapped for: (0) GLU 56 H on: HN External atom name remapped for: (0) GLN 57 H on: HN External atom name remapped for: (0) LEU 59 H on: HN External atom name remapped for: (0) LEU 59 H on: HN External atom name remapped for: (0) PHE 58 H on: HN External atom name remapped for: (0) LEU 59 H on: HN External atom name remapped for: (0) GLY 60 H on: HN External atom name remapped for: (0) ALA 81 H on: HN External atom name remapped for: (0) LEU 59 H on: HN External atom name remapped for: (0) GLN 71 H on: HN External atom name remapped for: (0) GLY 60 H on: HN External atom name remapped for: (0) ALA 81 H on: HN External atom name remapped for: (0) LEU 59 H on: HN External atom name remapped for: (0) GLN 71 H on: HN External atom name not found: (0) GLY 60 HA3 copying atom name instead External atom name remapped for: (0) VAL 85 H on: HN External atom name remapped for: (0) LEU 62 H on: HN External atom name remapped for: (0) LEU 59 H on: HN External atom name remapped for: (0) LEU 62 H on: HN External atom name remapped for: (0) GLN 67 H on: HN External atom name remapped for: (0) GLN 67 H on: HN External atom name remapped for: (0) ILE 66 H on: HN External atom name remapped for: (0) ILE 66 H on: HN External atom name remapped for: (0) LEU 62 H on: HN External atom name remapped for: (0) ILE 66 H on: HN External atom name remapped for: (0) ALA 68 H on: HN External atom name remapped for: (0) GLN 67 H on: HN External atom name remapped for: (0) GLU 65 H on: HN External atom name remapped for: (0) GLU 65 H on: HN External atom name remapped for: (0) ILE 66 H on: HN External atom name remapped for: (0) GLU 65 H on: HN External atom name remapped for: (0) GLU 65 H on: HN External atom name remapped for: (0) ILE 66 H on: HN External atom name remapped for: (0) ILE 66 H on: HN External atom name remapped for: (0) GLN 67 H on: HN External atom name remapped for: (0) GLN 67 H on: HN External atom name remapped for: (0) GLN 67 H on: HN External atom name remapped for: (0) GLN 67 H on: HN External atom name remapped for: (0) ALA 68 H on: HN External atom name remapped for: (0) ARG 69 H on: HN External atom name remapped for: (0) ALA 68 H on: HN External atom name remapped for: (0) ARG 69 H on: HN External atom name remapped for: (0) VAL 70 H on: HN External atom name remapped for: (0) VAL 70 H on: HN External atom name remapped for: (0) ARG 69 H on: HN External atom name remapped for: (0) GLN 71 H on: HN External atom name remapped for: (0) ARG 69 H on: HN External atom name remapped for: (0) GLN 73 H on: HN External atom name remapped for: (0) GLN 71 H on: HN External atom name remapped for: (0) GLN 71 H on: HN External atom name remapped for: (0) GLN 73 H on: HN External atom name remapped for: (0) ARG 74 H on: HN External atom name remapped for: (0) LEU 31 H on: HN External atom name remapped for: (0) ALA 81 H on: HN External atom name remapped for: (0) SER 77 H on: HN External atom name remapped for: (0) ALA 81 H on: HN External atom name remapped for: (0) SER 77 H on: HN External atom name remapped for: (0) ALA 81 H on: HN External atom name remapped for: (0) GLN 73 H on: HN External atom name remapped for: (0) ARG 74 H on: HN External atom name not found: (0) GLY 76 HA3 copying atom name instead External atom name remapped for: (0) GLU 80 H on: HN External atom name remapped for: (0) ALA 81 H on: HN External atom name remapped for: (0) ALA 82 H on: HN External atom name remapped for: (0) LEU 55 H on: HN External atom name remapped for: (0) GLU 79 H on: HN External atom name remapped for: (0) LEU 55 H on: HN External atom name remapped for: (0) GLU 79 H on: HN External atom name remapped for: (0) GLU 80 H on: HN External atom name remapped for: (0) GLU 79 H on: HN External atom name remapped for: (0) GLU 80 H on: HN External atom name remapped for: (0) GLU 79 H on: HN External atom name remapped for: (0) ALA 82 H on: HN External atom name remapped for: (0) GLU 80 H on: HN External atom name remapped for: (0) GLU 79 H on: HN External atom name remapped for: (0) GLU 80 H on: HN External atom name remapped for: (0) GLU 79 H on: HN External atom name remapped for: (0) SER 77 H on: HN External atom name remapped for: (0) GLU 80 H on: HN External atom name remapped for: (0) ALA 81 H on: HN External atom name remapped for: (0) GLY 76 H on: HN External atom name remapped for: (0) SER 77 H on: HN External atom name remapped for: (0) GLU 80 H on: HN External atom name remapped for: (0) GLY 76 H on: HN External atom name remapped for: (0) SER 77 H on: HN External atom name remapped for: (0) ALA 81 H on: HN External atom name remapped for: (0) VAL 85 H on: HN External atom name remapped for: (0) VAL 85 H on: HN External atom name remapped for: (0) LEU 84 H on: HN External atom name remapped for: (0) GLN 73 H on: HN External atom name remapped for: (0) LEU 84 H on: HN External atom name remapped for: (0) LEU 88 H on: HN External atom name remapped for: (0) VAL 85 H on: HN External atom name remapped for: (0) ASP 86 H on: HN External atom name remapped for: (0) ASP 86 H on: HN External atom name remapped for: (0) LEU 88 H on: HN External atom name remapped for: (0) VAL 85 H on: HN External atom name remapped for: (0) ASP 86 H on: HN External atom name remapped for: (0) LEU 88 H on: HN External atom name remapped for: (0) LEU 88 H on: HN External atom name remapped for: (0) LEU 88 H on: HN External atom name remapped for: (0) LEU 88 H on: HN External atom name remapped for: (0) ASP 86 H on: HN External atom name remapped for: (0) ARG 89 H on: HN External atom name remapped for: (0) ARG 89 H on: HN External atom name remapped for: (0) ALA 68 H on: HN External atom name remapped for: (0) GLN 67 H on: HN External atom name remapped for: (0) GLN 67 H on: HN External atom name remapped for: (0) ALA 68 H on: HN External atom name remapped for: (0) GLU 7 H on: HN External atom name remapped for: (0) GLN 67 H on: HN External atom name remapped for: (0) GLU 56 H on: HN External atom name remapped for: (0) ARG 14 H on: HN External atom name remapped for: (0) ALA 81 H on: HN External atom name remapped for: (0) ALA 27 H on: HN External atom name remapped for: (0) GLN 30 H on: HN External atom name remapped for: (0) GLU 33 H on: HN External atom name remapped for: (0) LEU 34 H on: HN External atom name remapped for: (0) LEU 84 H on: HN External atom name remapped for: (0) PHE 58 H on: HN External atom name remapped for: (0) TRP 38 H on: HN External atom name remapped for: (0) GLU 51 H on: HN External atom name remapped for: (0) LEU 52 H on: HN External atom name remapped for: (0) GLU 56 H on: HN External atom name remapped for: (0) LEU 59 H on: HN External atom name remapped for: (0) GLU 56 H on: HN External atom name remapped for: (0) PHE 58 H on: HN External atom name remapped for: (0) GLN 57 H on: HN External atom name remapped for: (0) GLY 60 H on: HN External atom name remapped for: (0) GLU 65 H on: HN External atom name remapped for: (0) GLU 65 H on: HN External atom name remapped for: (0) ARG 69 H on: HN External atom name remapped for: (0) VAL 70 H on: HN External atom name remapped for: (0) VAL 70 H on: HN External atom name remapped for: (0) MET 49 H on: HN External atom name remapped for: (0) GLN 48 H on: HN External atom name remapped for: (0) ARG 69 H on: HN External atom name remapped for: (0) VAL 85 H on: HN External atom name remapped for: (0) ASP 86 H on: HN External atom name remapped for: (0) VAL 85 H on: HN External atom name remapped for: (0) VAL 85 H on: HN External atom name remapped for: (0) VAL 85 H on: HN External atom name remapped for: (0) PHE 58 H on: HN External atom name remapped for: (0) PHE 58 H on: HN External atom name remapped for: (0) ARG 10 H on: HN External atom name remapped for: (0) LEU 11 H on: HN External atom name remapped for: (0) ALA 9 H on: HN External atom name remapped for: (0) ARG 10 H on: HN External atom name remapped for: (0) LEU 11 H on: HN External atom name remapped for: (0) ARG 12 H on: HN External atom name remapped for: (0) ARG 10 H on: HN External atom name remapped for: (0) LEU 11 H on: HN External atom name remapped for: (0) PHE 13 H on: HN External atom name remapped for: (0) PHE 13 H on: HN External atom name remapped for: (0) ARG 14 H on: HN External atom name remapped for: (0) ARG 14 H on: HN External atom name remapped for: (0) CYS 15 H on: HN External atom name remapped for: (0) CYS 15 H on: HN External atom name remapped for: (0) PHE 16 H on: HN External atom name remapped for: (0) PHE 16 H on: HN External atom name remapped for: (0) HIS 17 H on: HN External atom name remapped for: (0) HIS 17 H on: HN External atom name remapped for: (0) TYR 18 H on: HN External atom name remapped for: (0) GLU 19 H on: HN External atom name remapped for: (0) ALA 21 H on: HN External atom name remapped for: (0) THR 22 H on: HN External atom name remapped for: (0) GLU 20 H on: HN External atom name remapped for: (0) GLY 23 H on: HN External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) ALA 27 H on: HN External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) GLU 26 H on: HN External atom name remapped for: (0) ALA 27 H on: HN External atom name remapped for: (0) ALA 27 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) GLU 26 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) ALA 29 H on: HN External atom name remapped for: (0) ALA 29 H on: HN External atom name remapped for: (0) GLN 30 H on: HN External atom name remapped for: (0) GLN 30 H on: HN External atom name remapped for: (0) LEU 31 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) GLN 30 H on: HN External atom name remapped for: (0) CYS 35 H on: HN External atom name remapped for: (0) ARG 36 H on: HN External atom name remapped for: (0) GLU 33 H on: HN External atom name remapped for: (0) ARG 36 H on: HN External atom name remapped for: (0) ARG 36 H on: HN External atom name remapped for: (0) CYS 35 H on: HN External atom name remapped for: (0) CYS 35 H on: HN External atom name remapped for: (0) ALA 29 H on: HN External atom name remapped for: (0) LEU 31 H on: HN External atom name remapped for: (0) ARG 32 H on: HN External atom name remapped for: (0) GLU 33 H on: HN External atom name remapped for: (0) ARG 32 H on: HN External atom name remapped for: (0) GLU 33 H on: HN External atom name remapped for: (0) GLN 37 H on: HN External atom name remapped for: (0) GLU 65 H on: HN External atom name remapped for: (0) ILE 66 H on: HN External atom name remapped for: (0) GLN 37 H on: HN External atom name remapped for: (0) TRP 38 H on: HN External atom name remapped for: (0) ILE 66 H on: HN External atom name remapped for: (0) ILE 66 H on: HN External atom name remapped for: (0) ILE 66 H on: HN External atom name remapped for: (0) ILE 66 H on: HN External atom name remapped for: (0) ARG 69 H on: HN External atom name remapped for: (0) ILE 66 H on: HN External atom name remapped for: (0) ILE 66 H on: HN External atom name remapped for: (0) TRP 38 H on: HN External atom name remapped for: (0) GLN 37 H on: HN External atom name remapped for: (0) GLN 37 H on: HN External atom name remapped for: (0) GLN 37 H on: HN External atom name remapped for: (0) ILE 66 H on: HN External atom name remapped for: (0) GLN 37 H on: HN External atom name remapped for: (0) LEU 39 H on: HN External atom name remapped for: (0) ARG 40 H on: HN External atom name remapped for: (0) TRP 38 H on: HN External atom name remapped for: (0) ARG 40 H on: HN External atom name remapped for: (0) ARG 40 H on: HN External atom name remapped for: (0) GLU 42 H on: HN External atom name remapped for: (0) VAL 43 H on: HN External atom name remapped for: (0) ARG 44 H on: HN External atom name remapped for: (0) GLU 42 H on: HN External atom name remapped for: (0) ARG 44 H on: HN External atom name remapped for: (0) ARG 44 H on: HN External atom name remapped for: (0) SER 45 H on: HN External atom name remapped for: (0) ARG 44 H on: HN External atom name remapped for: (0) GLU 42 H on: HN External atom name remapped for: (0) VAL 43 H on: HN External atom name remapped for: (0) GLU 42 H on: HN External atom name remapped for: (0) GLU 42 H on: HN External atom name remapped for: (0) ARG 40 H on: HN External atom name remapped for: (0) ARG 40 H on: HN External atom name remapped for: (0) TRP 38 H on: HN External atom name remapped for: (0) LEU 39 H on: HN External atom name remapped for: (0) LEU 39 H on: HN External atom name remapped for: (0) LEU 39 H on: HN External atom name remapped for: (0) SER 45 H on: HN External atom name remapped for: (0) GLN 48 H on: HN External atom name remapped for: (0) SER 45 H on: HN External atom name remapped for: (0) LYS 46 H on: HN External atom name remapped for: (0) LYS 46 H on: HN External atom name remapped for: (0) GLU 47 H on: HN External atom name remapped for: (0) GLU 47 H on: HN External atom name remapped for: (0) GLN 48 H on: HN External atom name remapped for: (0) GLU 47 H on: HN External atom name remapped for: (0) LEU 50 H on: HN External atom name remapped for: (0) GLN 48 H on: HN External atom name remapped for: (0) MET 49 H on: HN External atom name remapped for: (0) GLU 47 H on: HN External atom name remapped for: (0) MET 49 H on: HN External atom name remapped for: (0) LEU 50 H on: HN External atom name remapped for: (0) SER 45 H on: HN External atom name remapped for: (0) MET 49 H on: HN External atom name remapped for: (0) GLU 47 H on: HN External atom name remapped for: (0) MET 49 H on: HN External atom name remapped for: (0) LEU 50 H on: HN External atom name remapped for: (0) GLU 51 H on: HN External atom name remapped for: (0) MET 49 H on: HN External atom name remapped for: (0) GLU 51 H on: HN External atom name remapped for: (0) GLU 51 H on: HN External atom name remapped for: (0) LEU 53 H on: HN External atom name remapped for: (0) GLU 51 H on: HN External atom name remapped for: (0) LEU 52 H on: HN External atom name remapped for: (0) LEU 52 H on: HN External atom name remapped for: (0) VAL 54 H on: HN External atom name remapped for: (0) LEU 52 H on: HN External atom name remapped for: (0) LEU 53 H on: HN External atom name remapped for: (0) LEU 53 H on: HN External atom name remapped for: (0) VAL 54 H on: HN External atom name remapped for: (0) VAL 54 H on: HN External atom name remapped for: (0) LEU 55 H on: HN External atom name remapped for: (0) VAL 54 H on: HN External atom name remapped for: (0) GLU 56 H on: HN External atom name remapped for: (0) GLU 51 H on: HN External atom name remapped for: (0) VAL 54 H on: HN External atom name remapped for: (0) VAL 54 H on: HN External atom name remapped for: (0) VAL 54 H on: HN External atom name remapped for: (0) LEU 52 H on: HN External atom name remapped for: (0) GLN 30 H on: HN External atom name remapped for: (0) ALA 29 H on: HN External atom name remapped for: (0) ARG 12 H on: HN External atom name remapped for: (0) PHE 13 H on: HN External atom name remapped for: (0) GLY 23 H on: HN External atom name remapped for: (0) GLU 26 H on: HN External atom name remapped for: (0) GLY 23 H on: HN External atom name remapped for: (0) GLU 56 H on: HN External atom name remapped for: (0) GLU 56 H on: HN External atom name remapped for: (0) GLN 57 H on: HN External atom name remapped for: (0) GLU 56 H on: HN External atom name remapped for: (0) PHE 58 H on: HN External atom name remapped for: (0) GLU 56 H on: HN External atom name remapped for: (0) GLU 56 H on: HN External atom name remapped for: (0) GLU 56 H on: HN External atom name remapped for: (0) LEU 55 H on: HN External atom name remapped for: (0) GLU 56 H on: HN External atom name remapped for: (0) GLN 57 H on: HN External atom name remapped for: (0) PHE 58 H on: HN External atom name remapped for: (0) PHE 58 H on: HN External atom name remapped for: (0) LEU 59 H on: HN External atom name remapped for: (0) LEU 59 H on: HN External atom name remapped for: (0) GLY 60 H on: HN External atom name remapped for: (0) GLY 60 H on: HN External atom name remapped for: (0) ALA 61 H on: HN External atom name remapped for: (0) PHE 58 H on: HN External atom name remapped for: (0) ALA 61 H on: HN External atom name remapped for: (0) GLY 60 H on: HN External atom name remapped for: (0) LEU 59 H on: HN External atom name remapped for: (0) ALA 61 H on: HN External atom name remapped for: (0) LEU 62 H on: HN External atom name remapped for: (0) ALA 61 H on: HN External atom name remapped for: (0) ALA 61 H on: HN External atom name remapped for: (0) ALA 61 H on: HN External atom name remapped for: (0) GLU 65 H on: HN External atom name remapped for: (0) GLN 67 H on: HN External atom name remapped for: (0) ILE 66 H on: HN External atom name remapped for: (0) GLN 67 H on: HN External atom name remapped for: (0) ALA 68 H on: HN External atom name remapped for: (0) ARG 69 H on: HN External atom name remapped for: (0) LEU 62 H on: HN External atom name remapped for: (0) LEU 62 H on: HN External atom name remapped for: (0) GLN 67 H on: HN External atom name remapped for: (0) ALA 68 H on: HN External atom name remapped for: (0) LEU 55 H on: HN External atom name remapped for: (0) LEU 55 H on: HN External atom name remapped for: (0) LEU 55 H on: HN External atom name remapped for: (0) GLN 67 H on: HN External atom name remapped for: (0) ALA 68 H on: HN External atom name remapped for: (0) GLN 73 H on: HN External atom name remapped for: (0) ARG 74 H on: HN External atom name remapped for: (0) GLY 72 H on: HN External atom name remapped for: (0) GLN 73 H on: HN External atom name remapped for: (0) ARG 74 H on: HN External atom name remapped for: (0) ARG 74 H on: HN External atom name remapped for: (0) GLN 71 H on: HN External atom name remapped for: (0) GLY 72 H on: HN External atom name remapped for: (0) GLN 73 H on: HN External atom name remapped for: (0) GLN 73 H on: HN External atom name remapped for: (0) LEU 84 H on: HN External atom name remapped for: (0) VAL 85 H on: HN External atom name remapped for: (0) VAL 85 H on: HN External atom name remapped for: (0) ASP 86 H on: HN External atom name remapped for: (0) GLU 80 H on: HN External atom name remapped for: (0) ALA 81 H on: HN External atom name remapped for: (0) GLU 79 H on: HN External atom name remapped for: (0) GLU 80 H on: HN External atom name remapped for: (0) GLY 76 H on: HN External atom name remapped for: (0) SER 77 H on: HN External atom name remapped for: (0) GLY 76 H on: HN External atom name remapped for: (0) ALA 81 H on: HN External atom name remapped for: (0) SER 77 H on: HN External atom name remapped for: (0) ALA 81 H on: HN External atom name remapped for: (0) GLU 79 H on: HN External atom name remapped for: (0) ALA 81 H on: HN External atom name remapped for: (0) GLU 79 H on: HN External atom name remapped for: (0) GLU 79 H on: HN External atom name remapped for: (0) SER 77 H on: HN External atom name remapped for: (0) GLY 76 H on: HN External atom name remapped for: (0) SER 77 H on: HN External atom name remapped for: (0) GLU 80 H on: HN External atom name remapped for: (0) ALA 81 H on: HN External atom name remapped for: (0) ALA 82 H on: HN External atom name remapped for: (0) GLU 80 H on: HN External atom name remapped for: (0) ALA 83 H on: HN External atom name remapped for: (0) LEU 84 H on: HN External atom name remapped for: (0) ALA 83 H on: HN External atom name remapped for: (0) ALA 83 H on: HN External atom name remapped for: (0) VAL 85 H on: HN External atom name remapped for: (0) VAL 85 H on: HN External atom name remapped for: (0) LEU 84 H on: HN External atom name remapped for: (0) ARG 90 H on: HN External atom name remapped for: (0) GLU 91 H on: HN External atom name remapped for: (0) LEU 88 H on: HN External atom name remapped for: (0) ARG 89 H on: HN External atom name remapped for: (0) ASP 86 H on: HN External atom name remapped for: (0) LEU 88 H on: HN External atom name remapped for: (0) ASP 86 H on: HN External atom name remapped for: (0) GLY 87 H on: HN External atom name remapped for: (0) ARG 89 H on: HN External atom name remapped for: (0) ARG 90 H on: HN External atom name remapped for: (0) ARG 89 H on: HN External atom name remapped for: (0) ARG 89 H on: HN External atom name remapped for: (0) GLY 87 H on: HN External atom name remapped for: (0) LEU 88 H on: HN External atom name remapped for: (0) GLY 87 H on: HN External atom name remapped for: (0) ASP 86 H on: HN External atom name remapped for: (0) VAL 85 H on: HN External atom name remapped for: (0) ASP 86 H on: HN External atom name remapped for: (0) ALA 82 H on: HN External atom name remapped for: (0) ALA 83 H on: HN External atom name remapped for: (0) GLU 79 H on: HN External atom name remapped for: (0) ALA 82 H on: HN External atom name remapped for: (0) VAL 70 H on: HN External atom name remapped for: (0) GLN 71 H on: HN External atom name remapped for: (0) GLY 5 H on: HN External atom name remapped for: (0) GLY 5 H on: HN External atom name remapped for: (0) GLY 5 H on: HN External atom name remapped for: (0) ARG 12 H on: HN External atom name remapped for: (0) ARG 12 H on: HN External atom name remapped for: (0) ARG 12 H on: HN External atom name remapped for: (0) ARG 12 H on: HN External atom name remapped for: (0) ARG 12 H on: HN External atom name remapped for: (0) ARG 12 H on: HN External atom name remapped for: (0) PHE 13 H on: HN External atom name remapped for: (0) PHE 13 H on: HN External atom name remapped for: (0) PHE 13 H on: HN External atom name remapped for: (0) PHE 13 H on: HN External atom name remapped for: (0) LEU 11 H on: HN External atom name remapped for: (0) LEU 11 H on: HN External atom name remapped for: (0) LEU 11 H on: HN External atom name remapped for: (0) LEU 11 H on: HN External atom name remapped for: (0) ALA 9 H on: HN External atom name remapped for: (0) ALA 9 H on: HN External atom name remapped for: (0) ALA 9 H on: HN External atom name remapped for: (0) ALA 9 H on: HN External atom name remapped for: (0) ALA 8 H on: HN External atom name remapped for: (0) ARG 10 H on: HN External atom name remapped for: (0) ARG 10 H on: HN External atom name remapped for: (0) ARG 10 H on: HN External atom name remapped for: (0) VAL 70 H on: HN External atom name remapped for: (0) VAL 70 H on: HN External atom name remapped for: (0) VAL 70 H on: HN External atom name remapped for: (0) GLU 7 H on: HN External atom name remapped for: (0) GLU 7 H on: HN External atom name remapped for: (0) GLU 7 H on: HN External atom name remapped for: (0) VAL 70 H on: HN External atom name remapped for: (0) ALA 9 H on: HN External atom name remapped for: (0) ARG 14 H on: HN External atom name remapped for: (0) ARG 14 H on: HN External atom name remapped for: (0) ARG 14 H on: HN External atom name remapped for: (0) ARG 14 H on: HN External atom name remapped for: (0) LEU 39 H on: HN External atom name remapped for: (0) CYS 15 H on: HN External atom name remapped for: (0) CYS 15 H on: HN External atom name remapped for: (0) CYS 15 H on: HN External atom name remapped for: (0) CYS 15 H on: HN External atom name remapped for: (0) LEU 59 H on: HN External atom name remapped for: (0) PHE 16 H on: HN External atom name remapped for: (0) PHE 16 H on: HN External atom name remapped for: (0) PHE 16 H on: HN External atom name remapped for: (0) HIS 17 H on: HN External atom name remapped for: (0) HIS 17 H on: HN External atom name remapped for: (0) TYR 18 H on: HN External atom name remapped for: (0) TYR 18 H on: HN External atom name remapped for: (0) GLU 19 H on: HN External atom name remapped for: (0) GLU 19 H on: HN External atom name remapped for: (0) GLU 19 H on: HN External atom name remapped for: (0) ASP 86 H on: HN External atom name remapped for: (0) ALA 21 H on: HN External atom name remapped for: (0) ALA 21 H on: HN External atom name remapped for: (0) ALA 21 H on: HN External atom name remapped for: (0) THR 22 H on: HN External atom name remapped for: (0) THR 22 H on: HN External atom name remapped for: (0) GLY 23 H on: HN External atom name remapped for: (0) GLY 23 H on: HN External atom name remapped for: (0) GLY 23 H on: HN External atom name remapped for: (0) GLY 23 H on: HN External atom name remapped for: (0) GLY 23 H on: HN External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) GLU 26 H on: HN External atom name remapped for: (0) GLU 26 H on: HN External atom name remapped for: (0) ALA 27 H on: HN External atom name remapped for: (0) ALA 27 H on: HN External atom name remapped for: (0) ALA 27 H on: HN External atom name remapped for: (0) ALA 27 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) ALA 27 H on: HN External atom name remapped for: (0) ALA 27 H on: HN External atom name remapped for: (0) ALA 27 H on: HN External atom name remapped for: (0) ALA 29 H on: HN External atom name remapped for: (0) GLN 30 H on: HN External atom name remapped for: (0) GLN 30 H on: HN External atom name remapped for: (0) GLN 30 H on: HN External atom name remapped for: (0) LEU 31 H on: HN External atom name remapped for: (0) LEU 31 H on: HN External atom name remapped for: (0) LEU 31 H on: HN External atom name remapped for: (0) LEU 31 H on: HN External atom name remapped for: (0) LEU 31 H on: HN External atom name remapped for: (0) LEU 31 H on: HN External atom name remapped for: (0) ARG 32 H on: HN External atom name remapped for: (0) ARG 32 H on: HN External atom name remapped for: (0) ARG 32 H on: HN External atom name remapped for: (0) ARG 32 H on: HN External atom name remapped for: (0) ARG 32 H on: HN External atom name remapped for: (0) ARG 32 H on: HN External atom name remapped for: (0) GLU 33 H on: HN External atom name remapped for: (0) GLU 33 H on: HN External atom name remapped for: (0) LEU 34 H on: HN External atom name remapped for: (0) CYS 35 H on: HN External atom name remapped for: (0) GLU 33 H on: HN External atom name remapped for: (0) LEU 34 H on: HN External atom name remapped for: (0) ALA 82 H on: HN External atom name remapped for: (0) ALA 82 H on: HN External atom name remapped for: (0) LEU 34 H on: HN External atom name remapped for: (0) LEU 34 H on: HN External atom name remapped for: (0) LEU 34 H on: HN External atom name remapped for: (0) ALA 82 H on: HN External atom name remapped for: (0) ALA 82 H on: HN External atom name remapped for: (0) ARG 36 H on: HN External atom name remapped for: (0) ARG 40 H on: HN External atom name remapped for: (0) ARG 40 H on: HN External atom name remapped for: (0) ARG 40 H on: HN External atom name remapped for: (0) ARG 40 H on: HN External atom name remapped for: (0) ARG 40 H on: HN External atom name remapped for: (0) GLU 42 H on: HN External atom name remapped for: (0) GLU 42 H on: HN External atom name remapped for: (0) GLU 42 H on: HN External atom name remapped for: (0) GLU 42 H on: HN External atom name remapped for: (0) VAL 43 H on: HN External atom name remapped for: (0) ARG 44 H on: HN External atom name remapped for: (0) ARG 44 H on: HN External atom name remapped for: (0) VAL 43 H on: HN External atom name remapped for: (0) SER 45 H on: HN External atom name remapped for: (0) SER 45 H on: HN External atom name remapped for: (0) LYS 46 H on: HN External atom name remapped for: (0) LYS 46 H on: HN External atom name remapped for: (0) GLU 47 H on: HN External atom name remapped for: (0) GLN 48 H on: HN External atom name remapped for: (0) GLN 48 H on: HN External atom name remapped for: (0) MET 49 H on: HN External atom name remapped for: (0) MET 49 H on: HN External atom name remapped for: (0) LEU 50 H on: HN External atom name remapped for: (0) LEU 50 H on: HN External atom name remapped for: (0) LEU 50 H on: HN External atom name remapped for: (0) LEU 52 H on: HN External atom name remapped for: (0) LEU 52 H on: HN External atom name remapped for: (0) LEU 53 H on: HN External atom name remapped for: (0) LEU 53 H on: HN External atom name remapped for: (0) LEU 53 H on: HN External atom name remapped for: (0) LEU 53 H on: HN External atom name remapped for: (0) LEU 53 H on: HN External atom name remapped for: (0) ALA 61 H on: HN External atom name remapped for: (0) ALA 61 H on: HN External atom name remapped for: (0) ALA 61 H on: HN External atom name remapped for: (0) VAL 54 H on: HN External atom name remapped for: (0) VAL 54 H on: HN External atom name remapped for: (0) VAL 54 H on: HN External atom name remapped for: (0) LEU 55 H on: HN External atom name remapped for: (0) GLN 67 H on: HN External atom name remapped for: (0) GLN 67 H on: HN External atom name remapped for: (0) GLN 67 H on: HN External atom name remapped for: (0) GLN 67 H on: HN External atom name remapped for: (0) GLU 56 H on: HN External atom name remapped for: (0) GLU 56 H on: HN External atom name remapped for: (0) PHE 58 H on: HN External atom name remapped for: (0) PHE 58 H on: HN External atom name remapped for: (0) GLY 60 H on: HN External atom name remapped for: (0) LEU 59 H on: HN External atom name remapped for: (0) GLY 60 H on: HN External atom name remapped for: (0) GLY 60 H on: HN External atom name remapped for: (0) GLY 60 H on: HN External atom name remapped for: (0) GLY 60 H on: HN External atom name remapped for: (0) LEU 62 H on: HN External atom name remapped for: (0) LEU 62 H on: HN External atom name remapped for: (0) LEU 62 H on: HN External atom name remapped for: (0) LEU 62 H on: HN External atom name remapped for: (0) GLU 65 H on: HN External atom name remapped for: (0) ALA 68 H on: HN External atom name remapped for: (0) ALA 68 H on: HN External atom name remapped for: (0) GLN 71 H on: HN External atom name remapped for: (0) GLN 71 H on: HN External atom name remapped for: (0) GLY 72 H on: HN External atom name remapped for: (0) GLY 72 H on: HN External atom name remapped for: (0) GLN 73 H on: HN External atom name remapped for: (0) ARG 74 H on: HN External atom name remapped for: (0) ARG 74 H on: HN External atom name remapped for: (0) ARG 74 H on: HN External atom name remapped for: (0) GLY 76 H on: HN External atom name remapped for: (0) GLY 76 H on: HN External atom name remapped for: (0) GLY 76 H on: HN External atom name remapped for: (0) SER 77 H on: HN External atom name remapped for: (0) SER 77 H on: HN External atom name remapped for: (0) SER 77 H on: HN External atom name remapped for: (0) GLU 79 H on: HN External atom name remapped for: (0) GLU 79 H on: HN External atom name remapped for: (0) GLU 80 H on: HN External atom name remapped for: (0) ALA 81 H on: HN External atom name remapped for: (0) ALA 83 H on: HN External atom name remapped for: (0) ALA 83 H on: HN External atom name remapped for: (0) ALA 83 H on: HN External atom name remapped for: (0) ARG 89 H on: HN External atom name remapped for: (0) ARG 89 H on: HN External atom name remapped for: (0) LEU 84 H on: HN External atom name remapped for: (0) VAL 85 H on: HN External atom name remapped for: (0) VAL 85 H on: HN External atom name remapped for: (0) GLY 87 H on: HN External atom name remapped for: (0) LEU 88 H on: HN External atom name remapped for: (0) LEU 88 H on: HN External atom name remapped for: (0) GLU 91 H on: HN External atom name remapped for: (0) GLU 91 H on: HN External atom name remapped for: (0) ARG 90 H on: HN External atom name remapped for: (0) ARG 90 H on: HN External atom name remapped for: (0) GLN 71 H on: HN External atom name remapped for: (0) GLY 72 H on: HN External atom name remapped for: (0) LEU 59 H on: HN External atom name remapped for: (0) ALA 61 H on: HN External atom name remapped for: (0) PHE 58 H on: HN External atom name remapped for: (0) GLY 60 H on: HN External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) GLU 26 H on: HN External atom name remapped for: (0) ARG 10 H on: HN External atom name remapped for: (0) HIS 17 H on: HN External atom name remapped for: (0) TYR 18 H on: HN External atom name remapped for: (0) TYR 18 H on: HN External atom name remapped for: (0) GLU 19 H on: HN External atom name remapped for: (0) ASP 86 H on: HN External atom name remapped for: (0) ALA 8 H on: HN External atom name remapped for: (0) LEU 50 H on: HN External atom name remapped for: (0) LEU 52 H on: HN External atom name remapped for: (0) LEU 11 H on: HN External atom name remapped for: (0) GLN 30 H on: HN External atom name remapped for: (0) GLN 30 H on: HN External atom name remapped for: (0) ARG 36 H on: HN External atom name remapped for: (0) SER 45 H on: HN External atom name remapped for: (0) GLY 87 H on: HN External atom name remapped for: (0) ARG 36 H on: HN External atom name remapped for: (0) GLN 37 H on: HN External atom name remapped for: (0) MET 49 H on: HN External atom name remapped for: (0) LEU 53 H on: HN External atom name remapped for: (0) LEU 59 H on: HN External atom name remapped for: (0) ARG 69 H on: HN External atom name remapped for: (0) VAL 70 H on: HN External atom name remapped for: (0) VAL 70 H on: HN External atom name remapped for: (0) SER 77 H on: HN External atom name remapped for: (0) GLU 80 H on: HN External atom name remapped for: (0) GLU 80 H on: HN External atom name remapped for: (0) GLY 60 H on: HN External atom name remapped for: (0) LEU 62 H on: HN External atom name remapped for: (0) ARG 10 H on: HN External atom name remapped for: (0) GLU 19 H on: HN External atom name remapped for: (0) HIS 17 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) CYS 35 H on: HN External atom name remapped for: (0) GLN 357 H on: HN External atom name remapped for: (0) PHE 58 H on: HN External atom name remapped for: (0) ALA 327 H on: HN External atom name remapped for: (0) HIS 17 H on: HN External atom name remapped for: (0) ARG 14 H on: HN External atom name remapped for: (0) GLN 325 H on: HN External atom name remapped for: (0) ARG 336 H on: HN External atom name not found: (0) GLY 305 HA3 copying atom name instead External atom name remapped for: (0) GLY 305 H on: HN External atom name remapped for: (0) GLU 307 H on: HN External atom name remapped for: (0) GLU 307 H on: HN External atom name remapped for: (0) GLY 305 H on: HN External atom name remapped for: (0) GLU 307 H on: HN External atom name remapped for: (0) GLU 307 H on: HN External atom name remapped for: (0) ARG 312 H on: HN External atom name remapped for: (0) GLN 348 H on: HN External atom name remapped for: (0) ARG 344 H on: HN External atom name remapped for: (0) GLU 347 H on: HN External atom name remapped for: (0) LYS 346 H on: HN External atom name remapped for: (0) TRP 338 H on: HN External atom name remapped for: (0) ARG 312 H on: HN External atom name remapped for: (0) ALA 309 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) ALA 382 H on: HN External atom name remapped for: (0) GLU 379 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) GLU 319 H on: HN External atom name remapped for: (0) LEU 362 H on: HN External atom name remapped for: (0) ILE 366 H on: HN External atom name remapped for: (0) VAL 370 H on: HN External atom name remapped for: (0) GLN 367 H on: HN External atom name remapped for: (0) GLY 376 H on: HN External atom name remapped for: (0) LEU 384 H on: HN External atom name remapped for: (0) ALA 383 H on: HN External atom name remapped for: (0) ALA 329 H on: HN External atom name remapped for: (0) THR 322 H on: HN External atom name not found: (0) GLY 360 HA3 copying atom name instead External atom name remapped for: (0) LEU 362 H on: HN External atom name remapped for: (0) GLY 360 H on: HN External atom name remapped for: (0) LEU 359 H on: HN External atom name remapped for: (0) PHE 358 H on: HN External atom name remapped for: (0) VAL 343 H on: HN External atom name remapped for: (0) ARG 344 H on: HN External atom name remapped for: (0) GLU 342 H on: HN External atom name remapped for: (0) THR 322 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) GLU 319 H on: HN External atom name remapped for: (0) LEU 339 H on: HN External atom name remapped for: (0) ALA 308 H on: HN External atom name remapped for: (0) LEU 311 H on: HN External atom name remapped for: (0) PHE 313 H on: HN External atom name remapped for: (0) ARG 312 H on: HN External atom name remapped for: (0) LEU 311 H on: HN External atom name remapped for: (0) LEU 311 H on: HN External atom name remapped for: (0) ALA 361 H on: HN External atom name remapped for: (0) GLY 360 H on: HN External atom name remapped for: (0) ARG 312 H on: HN External atom name remapped for: (0) ALA 329 H on: HN External atom name remapped for: (0) ARG 389 H on: HN External atom name remapped for: (0) ARG 389 H on: HN External atom name remapped for: (0) GLU 356 H on: HN External atom name remapped for: (0) LEU 339 H on: HN External atom name remapped for: (0) LEU 311 H on: HN External atom name remapped for: (0) LEU 311 H on: HN External atom name remapped for: (0) ARG 312 H on: HN External atom name remapped for: (0) LEU 311 H on: HN External atom name remapped for: (0) ARG 312 H on: HN External atom name remapped for: (0) ARG 314 H on: HN External atom name remapped for: (0) ARG 312 H on: HN External atom name remapped for: (0) ARG 314 H on: HN External atom name remapped for: (0) CYS 315 H on: HN External atom name remapped for: (0) PHE 316 H on: HN External atom name remapped for: (0) HIS 317 H on: HN External atom name remapped for: (0) HIS 317 H on: HN External atom name remapped for: (0) GLN 367 H on: HN External atom name remapped for: (0) TYR 318 H on: HN External atom name remapped for: (0) TYR 318 H on: HN External atom name remapped for: (0) GLU 319 H on: HN External atom name remapped for: (0) GLY 323 H on: HN External atom name remapped for: (0) GLN 325 H on: HN External atom name not found: (0) GLY 323 HA3 copying atom name instead External atom name remapped for: (0) GLN 325 H on: HN External atom name remapped for: (0) GLY 323 H on: HN External atom name remapped for: (0) GLN 325 H on: HN External atom name remapped for: (0) GLN 325 H on: HN External atom name remapped for: (0) GLN 325 H on: HN External atom name remapped for: (0) GLY 323 H on: HN External atom name remapped for: (0) THR 322 H on: HN External atom name remapped for: (0) GLU 320 H on: HN External atom name remapped for: (0) GLU 326 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) ALA 329 H on: HN External atom name remapped for: (0) GLN 325 H on: HN External atom name remapped for: (0) GLU 326 H on: HN External atom name remapped for: (0) GLU 326 H on: HN External atom name remapped for: (0) GLU 326 H on: HN External atom name remapped for: (0) GLN 330 H on: HN External atom name remapped for: (0) GLN 330 H on: HN External atom name remapped for: (0) ALA 327 H on: HN External atom name remapped for: (0) ALA 327 H on: HN External atom name remapped for: (0) LEU 331 H on: HN External atom name remapped for: (0) LEU 331 H on: HN External atom name remapped for: (0) GLN 325 H on: HN External atom name remapped for: (0) ALA 329 H on: HN External atom name remapped for: (0) ALA 329 H on: HN External atom name remapped for: (0) ALA 81 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) ARG 332 H on: HN External atom name remapped for: (0) LEU 331 H on: HN External atom name remapped for: (0) GLN 330 H on: HN External atom name remapped for: (0) LEU 331 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) LEU 331 H on: HN External atom name remapped for: (0) LEU 331 H on: HN External atom name remapped for: (0) GLU 333 H on: HN External atom name remapped for: (0) GLU 333 H on: HN External atom name remapped for: (0) ARG 332 H on: HN External atom name remapped for: (0) GLU 333 H on: HN External atom name remapped for: (0) GLU 333 H on: HN External atom name remapped for: (0) LEU 334 H on: HN External atom name remapped for: (0) LEU 334 H on: HN External atom name remapped for: (0) CYS 335 H on: HN External atom name remapped for: (0) GLN 337 H on: HN External atom name remapped for: (0) CYS 335 H on: HN External atom name remapped for: (0) CYS 335 H on: HN External atom name remapped for: (0) LEU 334 H on: HN External atom name remapped for: (0) CYS 335 H on: HN External atom name remapped for: (0) CYS 335 H on: HN External atom name remapped for: (0) ARG 336 H on: HN External atom name remapped for: (0) CYS 335 H on: HN External atom name remapped for: (0) ARG 336 H on: HN External atom name remapped for: (0) ARG 336 H on: HN External atom name remapped for: (0) ARG 336 H on: HN External atom name remapped for: (0) ARG 340 H on: HN External atom name remapped for: (0) ARG 340 H on: HN External atom name remapped for: (0) ARG 340 H on: HN External atom name remapped for: (0) ARG 336 H on: HN External atom name remapped for: (0) ARG 340 H on: HN External atom name remapped for: (0) TRP 338 H on: HN External atom name remapped for: (0) GLN 337 H on: HN External atom name remapped for: (0) TRP 338 H on: HN External atom name remapped for: (0) GLN 337 H on: HN External atom name remapped for: (0) LEU 339 H on: HN External atom name remapped for: (0) ARG 310 H on: HN External atom name remapped for: (0) LEU 339 H on: HN External atom name remapped for: (0) ARG 344 H on: HN External atom name remapped for: (0) LEU 339 H on: HN External atom name remapped for: (0) ARG 340 H on: HN External atom name remapped for: (0) LEU 339 H on: HN External atom name remapped for: (0) ARG 344 H on: HN External atom name remapped for: (0) GLU 342 H on: HN External atom name remapped for: (0) GLU 342 H on: HN External atom name remapped for: (0) GLU 342 H on: HN External atom name remapped for: (0) GLU 342 H on: HN External atom name remapped for: (0) VAL 343 H on: HN External atom name remapped for: (0) GLU 342 H on: HN External atom name remapped for: (0) VAL 343 H on: HN External atom name remapped for: (0) ARG 344 H on: HN External atom name remapped for: (0) SER 345 H on: HN External atom name remapped for: (0) ARG 344 H on: HN External atom name remapped for: (0) ARG 344 H on: HN External atom name remapped for: (0) SER 345 H on: HN External atom name remapped for: (0) GLU 347 H on: HN External atom name remapped for: (0) GLU 347 H on: HN External atom name remapped for: (0) LYS 346 H on: HN External atom name remapped for: (0) GLU 347 H on: HN External atom name remapped for: (0) MET 349 H on: HN External atom name remapped for: (0) LEU 350 H on: HN External atom name remapped for: (0) GLN 348 H on: HN External atom name remapped for: (0) GLU 347 H on: HN External atom name remapped for: (0) GLU 347 H on: HN External atom name remapped for: (0) GLN 348 H on: HN External atom name remapped for: (0) LEU 350 H on: HN External atom name remapped for: (0) GLN 348 H on: HN External atom name remapped for: (0) GLN 348 H on: HN External atom name remapped for: (0) LEU 350 H on: HN External atom name remapped for: (0) GLN 348 H on: HN External atom name remapped for: (0) LEU 350 H on: HN External atom name remapped for: (0) LEU 350 H on: HN External atom name remapped for: (0) LEU 350 H on: HN External atom name remapped for: (0) GLU 351 H on: HN External atom name remapped for: (0) LEU 350 H on: HN External atom name remapped for: (0) VAL 354 H on: HN External atom name remapped for: (0) LEU 352 H on: HN External atom name remapped for: (0) VAL 354 H on: HN External atom name remapped for: (0) LEU 350 H on: HN External atom name remapped for: (0) LEU 352 H on: HN External atom name remapped for: (0) LEU 353 H on: HN External atom name remapped for: (0) LEU 352 H on: HN External atom name remapped for: (0) LEU 353 H on: HN External atom name remapped for: (0) LEU 353 H on: HN External atom name remapped for: (0) GLU 356 H on: HN External atom name remapped for: (0) LEU 353 H on: HN External atom name remapped for: (0) VAL 354 H on: HN External atom name remapped for: (0) LEU 353 H on: HN External atom name remapped for: (0) VAL 354 H on: HN External atom name remapped for: (0) VAL 354 H on: HN External atom name remapped for: (0) LEU 352 H on: HN External atom name remapped for: (0) VAL 354 H on: HN External atom name remapped for: (0) LEU 352 H on: HN External atom name remapped for: (0) VAL 354 H on: HN External atom name remapped for: (0) GLN 357 H on: HN External atom name remapped for: (0) PHE 358 H on: HN External atom name remapped for: (0) VAL 354 H on: HN External atom name remapped for: (0) LEU 355 H on: HN External atom name remapped for: (0) LEU 355 H on: HN External atom name remapped for: (0) VAL 354 H on: HN External atom name remapped for: (0) LEU 355 H on: HN External atom name remapped for: (0) LEU 355 H on: HN External atom name remapped for: (0) LEU 355 H on: HN External atom name remapped for: (0) GLN 357 H on: HN External atom name remapped for: (0) ALA 361 H on: HN External atom name remapped for: (0) LEU 359 H on: HN External atom name remapped for: (0) LEU 359 H on: HN External atom name remapped for: (0) GLY 360 H on: HN External atom name remapped for: (0) LEU 359 H on: HN External atom name remapped for: (0) GLY 360 H on: HN External atom name remapped for: (0) ALA 381 H on: HN External atom name remapped for: (0) LEU 359 H on: HN External atom name remapped for: (0) GLN 371 H on: HN External atom name remapped for: (0) LEU 359 H on: HN External atom name remapped for: (0) GLN 371 H on: HN External atom name not found: (0) GLY 360 HA3 copying atom name instead External atom name remapped for: (0) LEU 362 H on: HN External atom name remapped for: (0) ALA 361 H on: HN External atom name remapped for: (0) ALA 361 H on: HN External atom name remapped for: (0) GLN 367 H on: HN External atom name remapped for: (0) LEU 362 H on: HN External atom name remapped for: (0) LEU 362 H on: HN External atom name remapped for: (0) GLN 367 H on: HN External atom name remapped for: (0) ILE 366 H on: HN External atom name remapped for: (0) ILE 366 H on: HN External atom name remapped for: (0) LEU 362 H on: HN External atom name remapped for: (0) LEU 362 H on: HN External atom name remapped for: (0) ILE 366 H on: HN External atom name remapped for: (0) ALA 368 H on: HN External atom name remapped for: (0) GLN 367 H on: HN External atom name remapped for: (0) GLU 365 H on: HN External atom name remapped for: (0) GLU 365 H on: HN External atom name remapped for: (0) GLU 365 H on: HN External atom name remapped for: (0) ILE 366 H on: HN External atom name remapped for: (0) ILE 366 H on: HN External atom name remapped for: (0) GLN 367 H on: HN External atom name remapped for: (0) ILE 366 H on: HN External atom name remapped for: (0) GLN 367 H on: HN External atom name remapped for: (0) ILE 366 H on: HN External atom name remapped for: (0) GLN 367 H on: HN External atom name remapped for: (0) GLN 367 H on: HN External atom name remapped for: (0) ALA 368 H on: HN External atom name remapped for: (0) LEU 362 H on: HN External atom name remapped for: (0) ARG 369 H on: HN External atom name remapped for: (0) GLN 367 H on: HN External atom name remapped for: (0) ALA 368 H on: HN External atom name remapped for: (0) ARG 369 H on: HN External atom name remapped for: (0) ARG 369 H on: HN External atom name remapped for: (0) VAL 370 H on: HN External atom name remapped for: (0) VAL 370 H on: HN External atom name remapped for: (0) ARG 369 H on: HN External atom name remapped for: (0) VAL 370 H on: HN External atom name remapped for: (0) GLN 371 H on: HN External atom name remapped for: (0) ARG 369 H on: HN External atom name remapped for: (0) GLN 373 H on: HN External atom name remapped for: (0) GLN 371 H on: HN External atom name remapped for: (0) GLN 371 H on: HN External atom name remapped for: (0) GLN 373 H on: HN External atom name remapped for: (0) ARG 374 H on: HN External atom name remapped for: (0) ALA 381 H on: HN External atom name remapped for: (0) SER 377 H on: HN External atom name remapped for: (0) ALA 381 H on: HN External atom name remapped for: (0) GLN 373 H on: HN External atom name remapped for: (0) GLN 373 H on: HN External atom name remapped for: (0) ARG 374 H on: HN External atom name not found: (0) GLY 376 HA3 copying atom name instead External atom name remapped for: (0) GLU 380 H on: HN External atom name remapped for: (0) ALA 381 H on: HN External atom name remapped for: (0) ALA 382 H on: HN External atom name remapped for: (0) GLU 379 H on: HN External atom name remapped for: (0) LEU 355 H on: HN External atom name remapped for: (0) GLU 379 H on: HN External atom name remapped for: (0) GLU 379 H on: HN External atom name remapped for: (0) GLU 380 H on: HN External atom name remapped for: (0) GLU 379 H on: HN External atom name remapped for: (0) GLU 380 H on: HN External atom name remapped for: (0) GLU 379 H on: HN External atom name remapped for: (0) GLU 380 H on: HN External atom name remapped for: (0) GLU 380 H on: HN External atom name remapped for: (0) GLU 379 H on: HN External atom name remapped for: (0) GLU 380 H on: HN External atom name remapped for: (0) GLY 376 H on: HN External atom name remapped for: (0) SER 377 H on: HN External atom name remapped for: (0) GLU 380 H on: HN External atom name remapped for: (0) GLY 376 H on: HN External atom name remapped for: (0) VAL 385 H on: HN External atom name remapped for: (0) VAL 385 H on: HN External atom name remapped for: (0) GLN 373 H on: HN External atom name remapped for: (0) LEU 384 H on: HN External atom name remapped for: (0) VAL 385 H on: HN External atom name remapped for: (0) LEU 388 H on: HN External atom name remapped for: (0) VAL 385 H on: HN External atom name remapped for: (0) LEU 388 H on: HN External atom name remapped for: (0) LEU 388 H on: HN External atom name remapped for: (0) LEU 388 H on: HN External atom name remapped for: (0) ASP 386 H on: HN External atom name remapped for: (0) ARG 389 H on: HN External atom name remapped for: (0) ARG 389 H on: HN External atom name remapped for: (0) ALA 368 H on: HN External atom name remapped for: (0) GLN 367 H on: HN External atom name remapped for: (0) GLN 367 H on: HN External atom name remapped for: (0) ALA 368 H on: HN External atom name remapped for: (0) GLU 307 H on: HN External atom name remapped for: (0) GLN 367 H on: HN External atom name remapped for: (0) ARG 310 H on: HN External atom name remapped for: (0) GLU 356 H on: HN External atom name remapped for: (0) ARG 314 H on: HN External atom name remapped for: (0) ALA 381 H on: HN External atom name remapped for: (0) ARG 336 H on: HN External atom name remapped for: (0) ALA 327 H on: HN External atom name remapped for: (0) ALA 327 H on: HN External atom name remapped for: (0) GLN 330 H on: HN External atom name remapped for: (0) GLU 333 H on: HN External atom name remapped for: (0) LEU 331 H on: HN External atom name remapped for: (0) LEU 334 H on: HN External atom name remapped for: (0) GLN 337 H on: HN External atom name remapped for: (0) ARG 336 H on: HN External atom name remapped for: (0) PHE 358 H on: HN External atom name remapped for: (0) TRP 338 H on: HN External atom name remapped for: (0) GLU 351 H on: HN External atom name remapped for: (0) GLU 356 H on: HN External atom name remapped for: (0) LEU 359 H on: HN External atom name remapped for: (0) GLU 356 H on: HN External atom name remapped for: (0) PHE 358 H on: HN External atom name remapped for: (0) GLY 360 H on: HN External atom name remapped for: (0) GLU 365 H on: HN External atom name remapped for: (0) GLU 365 H on: HN External atom name remapped for: (0) ARG 369 H on: HN External atom name remapped for: (0) VAL 370 H on: HN External atom name remapped for: (0) VAL 370 H on: HN External atom name remapped for: (0) MET 349 H on: HN External atom name remapped for: (0) GLN 348 H on: HN External atom name remapped for: (0) SER 345 H on: HN External atom name remapped for: (0) ARG 369 H on: HN External atom name remapped for: (0) VAL 385 H on: HN External atom name remapped for: (0) ASP 386 H on: HN External atom name remapped for: (0) VAL 385 H on: HN External atom name remapped for: (0) VAL 385 H on: HN External atom name remapped for: (0) VAL 385 H on: HN External atom name remapped for: (0) PHE 358 H on: HN External atom name remapped for: (0) PHE 358 H on: HN External atom name remapped for: (0) ALA 309 H on: HN External atom name remapped for: (0) ARG 310 H on: HN External atom name remapped for: (0) ARG 310 H on: HN External atom name remapped for: (0) LEU 311 H on: HN External atom name remapped for: (0) LEU 311 H on: HN External atom name remapped for: (0) ARG 312 H on: HN External atom name remapped for: (0) ARG 310 H on: HN External atom name remapped for: (0) LEU 311 H on: HN External atom name remapped for: (0) PHE 313 H on: HN External atom name remapped for: (0) PHE 313 H on: HN External atom name remapped for: (0) ARG 314 H on: HN External atom name remapped for: (0) ARG 314 H on: HN External atom name remapped for: (0) ARG 314 H on: HN External atom name remapped for: (0) CYS 315 H on: HN External atom name remapped for: (0) CYS 315 H on: HN External atom name remapped for: (0) PHE 316 H on: HN External atom name remapped for: (0) PHE 316 H on: HN External atom name remapped for: (0) HIS 317 H on: HN External atom name remapped for: (0) HIS 317 H on: HN External atom name remapped for: (0) GLU 319 H on: HN External atom name remapped for: (0) ALA 321 H on: HN External atom name remapped for: (0) THR 322 H on: HN External atom name remapped for: (0) GLU 320 H on: HN External atom name remapped for: (0) GLY 323 H on: HN External atom name remapped for: (0) GLN 325 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) GLN 325 H on: HN External atom name remapped for: (0) ALA 327 H on: HN External atom name remapped for: (0) GLN 325 H on: HN External atom name remapped for: (0) GLN 325 H on: HN External atom name remapped for: (0) GLU 326 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) GLU 326 H on: HN External atom name remapped for: (0) ALA 327 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) ALA 329 H on: HN External atom name remapped for: (0) ALA 327 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) ALA 329 H on: HN External atom name remapped for: (0) GLN 330 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) GLN 330 H on: HN External atom name remapped for: (0) GLN 337 H on: HN External atom name remapped for: (0) TRP 338 H on: HN External atom name remapped for: (0) CYS 335 H on: HN External atom name remapped for: (0) ARG 336 H on: HN External atom name remapped for: (0) GLU 333 H on: HN External atom name remapped for: (0) ARG 336 H on: HN External atom name remapped for: (0) CYS 335 H on: HN External atom name remapped for: (0) GLN 330 H on: HN External atom name remapped for: (0) LEU 331 H on: HN External atom name remapped for: (0) ARG 332 H on: HN External atom name remapped for: (0) GLU 333 H on: HN External atom name remapped for: (0) GLU 333 H on: HN External atom name remapped for: (0) GLN 337 H on: HN External atom name remapped for: (0) ARG 336 H on: HN External atom name remapped for: (0) GLN 337 H on: HN External atom name remapped for: (0) GLU 365 H on: HN External atom name remapped for: (0) ILE 366 H on: HN External atom name remapped for: (0) TRP 338 H on: HN External atom name remapped for: (0) LEU 339 H on: HN External atom name remapped for: (0) TRP 338 H on: HN External atom name remapped for: (0) TRP 338 H on: HN External atom name remapped for: (0) ALA 368 H on: HN External atom name remapped for: (0) ARG 369 H on: HN External atom name remapped for: (0) ILE 366 H on: HN External atom name remapped for: (0) ILE 366 H on: HN External atom name remapped for: (0) ARG 369 H on: HN External atom name remapped for: (0) ILE 366 H on: HN External atom name remapped for: (0) ILE 366 H on: HN External atom name remapped for: (0) ILE 366 H on: HN External atom name remapped for: (0) TRP 338 H on: HN External atom name remapped for: (0) GLN 337 H on: HN External atom name remapped for: (0) ILE 366 H on: HN External atom name remapped for: (0) GLN 337 H on: HN External atom name remapped for: (0) LEU 339 H on: HN External atom name remapped for: (0) ARG 340 H on: HN External atom name remapped for: (0) TRP 338 H on: HN External atom name remapped for: (0) ARG 340 H on: HN External atom name remapped for: (0) VAL 343 H on: HN External atom name remapped for: (0) ARG 344 H on: HN External atom name remapped for: (0) ARG 344 H on: HN External atom name remapped for: (0) ARG 340 H on: HN External atom name remapped for: (0) GLU 342 H on: HN External atom name remapped for: (0) GLU 342 H on: HN External atom name remapped for: (0) ARG 344 H on: HN External atom name remapped for: (0) GLU 342 H on: HN External atom name remapped for: (0) VAL 343 H on: HN External atom name remapped for: (0) GLU 342 H on: HN External atom name remapped for: (0) GLU 342 H on: HN External atom name remapped for: (0) ARG 340 H on: HN External atom name remapped for: (0) LEU 339 H on: HN External atom name remapped for: (0) LEU 339 H on: HN External atom name remapped for: (0) SER 345 H on: HN External atom name remapped for: (0) MET 349 H on: HN External atom name remapped for: (0) ARG 344 H on: HN External atom name remapped for: (0) SER 345 H on: HN External atom name remapped for: (0) SER 345 H on: HN External atom name remapped for: (0) GLN 348 H on: HN External atom name remapped for: (0) SER 345 H on: HN External atom name remapped for: (0) LYS 346 H on: HN External atom name remapped for: (0) LYS 346 H on: HN External atom name remapped for: (0) GLU 347 H on: HN External atom name remapped for: (0) GLU 347 H on: HN External atom name remapped for: (0) GLN 348 H on: HN External atom name remapped for: (0) GLU 347 H on: HN External atom name remapped for: (0) MET 349 H on: HN External atom name remapped for: (0) GLU 347 H on: HN External atom name remapped for: (0) LEU 350 H on: HN External atom name remapped for: (0) GLU 347 H on: HN External atom name remapped for: (0) GLU 347 H on: HN External atom name remapped for: (0) GLN 348 H on: HN External atom name remapped for: (0) MET 349 H on: HN External atom name remapped for: (0) MET 349 H on: HN External atom name remapped for: (0) LEU 350 H on: HN External atom name remapped for: (0) LEU 350 H on: HN External atom name remapped for: (0) GLU 351 H on: HN External atom name remapped for: (0) MET 349 H on: HN External atom name remapped for: (0) GLU 351 H on: HN External atom name remapped for: (0) GLU 351 H on: HN External atom name remapped for: (0) LEU 353 H on: HN External atom name remapped for: (0) GLU 351 H on: HN External atom name remapped for: (0) LEU 352 H on: HN External atom name remapped for: (0) LEU 352 H on: HN External atom name remapped for: (0) VAL 354 H on: HN External atom name remapped for: (0) LEU 352 H on: HN External atom name remapped for: (0) LEU 353 H on: HN External atom name remapped for: (0) LEU 353 H on: HN External atom name remapped for: (0) VAL 354 H on: HN External atom name remapped for: (0) VAL 354 H on: HN External atom name remapped for: (0) LEU 355 H on: HN External atom name remapped for: (0) GLU 351 H on: HN External atom name remapped for: (0) VAL 354 H on: HN External atom name remapped for: (0) VAL 354 H on: HN External atom name remapped for: (0) VAL 354 H on: HN External atom name remapped for: (0) LEU 352 H on: HN External atom name remapped for: (0) LEU 352 H on: HN External atom name remapped for: (0) GLN 330 H on: HN External atom name remapped for: (0) ALA 329 H on: HN External atom name remapped for: (0) ARG 312 H on: HN External atom name remapped for: (0) PHE 313 H on: HN External atom name remapped for: (0) GLY 323 H on: HN External atom name remapped for: (0) GLU 326 H on: HN External atom name remapped for: (0) GLY 323 H on: HN External atom name remapped for: (0) GLU 356 H on: HN External atom name remapped for: (0) GLU 356 H on: HN External atom name remapped for: (0) GLN 357 H on: HN External atom name remapped for: (0) LEU 355 H on: HN External atom name remapped for: (0) GLU 356 H on: HN External atom name remapped for: (0) VAL 354 H on: HN External atom name remapped for: (0) GLU 356 H on: HN External atom name remapped for: (0) GLU 356 H on: HN External atom name remapped for: (0) PHE 358 H on: HN External atom name remapped for: (0) GLU 356 H on: HN External atom name remapped for: (0) GLU 356 H on: HN External atom name remapped for: (0) GLN 357 H on: HN External atom name remapped for: (0) PHE 358 H on: HN External atom name remapped for: (0) PHE 358 H on: HN External atom name remapped for: (0) LEU 359 H on: HN External atom name remapped for: (0) LEU 359 H on: HN External atom name remapped for: (0) GLY 360 H on: HN External atom name remapped for: (0) GLY 360 H on: HN External atom name remapped for: (0) ALA 361 H on: HN External atom name remapped for: (0) PHE 358 H on: HN External atom name remapped for: (0) PHE 358 H on: HN External atom name remapped for: (0) ALA 361 H on: HN External atom name remapped for: (0) PHE 358 H on: HN External atom name remapped for: (0) LEU 359 H on: HN External atom name remapped for: (0) ALA 361 H on: HN External atom name remapped for: (0) LEU 359 H on: HN External atom name remapped for: (0) ALA 361 H on: HN External atom name remapped for: (0) ALA 361 H on: HN External atom name remapped for: (0) ALA 361 H on: HN External atom name remapped for: (0) LEU 362 H on: HN External atom name remapped for: (0) ILE 366 H on: HN External atom name remapped for: (0) GLN 367 H on: HN External atom name remapped for: (0) LEU 362 H on: HN External atom name remapped for: (0) GLU 365 H on: HN External atom name remapped for: (0) GLN 367 H on: HN External atom name remapped for: (0) GLN 367 H on: HN External atom name remapped for: (0) ALA 368 H on: HN External atom name remapped for: (0) LEU 355 H on: HN External atom name remapped for: (0) LEU 355 H on: HN External atom name remapped for: (0) LEU 355 H on: HN External atom name remapped for: (0) GLN 367 H on: HN External atom name remapped for: (0) ALA 368 H on: HN External atom name remapped for: (0) GLN 373 H on: HN External atom name remapped for: (0) ARG 374 H on: HN External atom name remapped for: (0) GLY 372 H on: HN External atom name remapped for: (0) GLN 373 H on: HN External atom name remapped for: (0) GLN 371 H on: HN External atom name remapped for: (0) GLY 372 H on: HN External atom name remapped for: (0) ARG 374 H on: HN External atom name remapped for: (0) ARG 374 H on: HN External atom name remapped for: (0) GLN 371 H on: HN External atom name remapped for: (0) GLN 371 H on: HN External atom name remapped for: (0) GLY 372 H on: HN External atom name remapped for: (0) GLN 373 H on: HN External atom name remapped for: (0) LEU 384 H on: HN External atom name remapped for: (0) VAL 385 H on: HN External atom name remapped for: (0) ALA 382 H on: HN External atom name remapped for: (0) ALA 383 H on: HN External atom name remapped for: (0) GLU 380 H on: HN External atom name remapped for: (0) ALA 381 H on: HN External atom name remapped for: (0) GLU 379 H on: HN External atom name remapped for: (0) GLU 380 H on: HN External atom name remapped for: (0) GLY 376 H on: HN External atom name remapped for: (0) SER 377 H on: HN External atom name remapped for: (0) GLY 376 H on: HN External atom name remapped for: (0) ALA 381 H on: HN External atom name remapped for: (0) SER 377 H on: HN External atom name remapped for: (0) GLU 380 H on: HN External atom name remapped for: (0) GLU 379 H on: HN External atom name remapped for: (0) ALA 382 H on: HN External atom name remapped for: (0) GLU 379 H on: HN External atom name remapped for: (0) SER 377 H on: HN External atom name remapped for: (0) GLY 376 H on: HN External atom name remapped for: (0) GLU 379 H on: HN External atom name remapped for: (0) ALA 381 H on: HN External atom name remapped for: (0) ALA 381 H on: HN External atom name remapped for: (0) ALA 382 H on: HN External atom name remapped for: (0) SER 377 H on: HN External atom name remapped for: (0) ALA 381 H on: HN External atom name remapped for: (0) GLU 380 H on: HN External atom name remapped for: (0) ALA 383 H on: HN External atom name remapped for: (0) LEU 384 H on: HN External atom name remapped for: (0) ALA 383 H on: HN External atom name remapped for: (0) ALA 383 H on: HN External atom name remapped for: (0) VAL 385 H on: HN External atom name remapped for: (0) VAL 385 H on: HN External atom name remapped for: (0) LEU 384 H on: HN External atom name remapped for: (0) ARG 390 H on: HN External atom name remapped for: (0) GLU 391 H on: HN External atom name remapped for: (0) ARG 389 H on: HN External atom name remapped for: (0) ARG 390 H on: HN External atom name remapped for: (0) GLY 387 H on: HN External atom name remapped for: (0) LEU 388 H on: HN External atom name remapped for: (0) LEU 388 H on: HN External atom name remapped for: (0) ARG 389 H on: HN External atom name remapped for: (0) ASP 386 H on: HN External atom name remapped for: (0) LEU 388 H on: HN External atom name remapped for: (0) ASP 386 H on: HN External atom name remapped for: (0) GLY 387 H on: HN External atom name remapped for: (0) VAL 385 H on: HN External atom name remapped for: (0) ASP 386 H on: HN External atom name remapped for: (0) ARG 389 H on: HN External atom name remapped for: (0) ARG 389 H on: HN External atom name remapped for: (0) LEU 388 H on: HN External atom name remapped for: (0) GLY 387 H on: HN External atom name remapped for: (0) GLY 387 H on: HN External atom name remapped for: (0) ASP 386 H on: HN External atom name remapped for: (0) VAL 385 H on: HN External atom name remapped for: (0) ASP 386 H on: HN External atom name remapped for: (0) VAL 370 H on: HN External atom name remapped for: (0) GLN 371 H on: HN External atom name remapped for: (0) GLY 305 H on: HN External atom name remapped for: (0) GLY 305 H on: HN External atom name remapped for: (0) GLY 305 H on: HN External atom name remapped for: (0) GLY 305 H on: HN External atom name remapped for: (0) ARG 310 H on: HN External atom name remapped for: (0) ARG 312 H on: HN External atom name remapped for: (0) ARG 312 H on: HN External atom name remapped for: (0) ARG 312 H on: HN External atom name remapped for: (0) ARG 312 H on: HN External atom name remapped for: (0) PHE 313 H on: HN External atom name remapped for: (0) PHE 313 H on: HN External atom name remapped for: (0) PHE 313 H on: HN External atom name remapped for: (0) LEU 311 H on: HN External atom name remapped for: (0) LEU 311 H on: HN External atom name remapped for: (0) LEU 311 H on: HN External atom name remapped for: (0) LEU 311 H on: HN External atom name remapped for: (0) ALA 309 H on: HN External atom name remapped for: (0) ALA 309 H on: HN External atom name remapped for: (0) ALA 309 H on: HN External atom name remapped for: (0) ALA 308 H on: HN External atom name remapped for: (0) ARG 310 H on: HN External atom name remapped for: (0) ARG 310 H on: HN External atom name remapped for: (0) ARG 310 H on: HN External atom name remapped for: (0) VAL 370 H on: HN External atom name remapped for: (0) GLU 307 H on: HN External atom name remapped for: (0) GLU 307 H on: HN External atom name remapped for: (0) GLU 307 H on: HN External atom name remapped for: (0) VAL 370 H on: HN External atom name remapped for: (0) ALA 309 H on: HN External atom name remapped for: (0) ARG 314 H on: HN External atom name remapped for: (0) ARG 314 H on: HN External atom name remapped for: (0) ARG 314 H on: HN External atom name remapped for: (0) LEU 339 H on: HN External atom name remapped for: (0) CYS 315 H on: HN External atom name remapped for: (0) CYS 315 H on: HN External atom name remapped for: (0) CYS 315 H on: HN External atom name remapped for: (0) CYS 315 H on: HN External atom name remapped for: (0) LEU 359 H on: HN External atom name remapped for: (0) PHE 316 H on: HN External atom name remapped for: (0) PHE 316 H on: HN External atom name remapped for: (0) PHE 316 H on: HN External atom name remapped for: (0) PHE 316 H on: HN External atom name remapped for: (0) PHE 316 H on: HN External atom name remapped for: (0) HIS 317 H on: HN External atom name remapped for: (0) HIS 317 H on: HN External atom name remapped for: (0) TYR 318 H on: HN External atom name remapped for: (0) TYR 318 H on: HN External atom name remapped for: (0) GLU 319 H on: HN External atom name remapped for: (0) GLU 319 H on: HN External atom name remapped for: (0) GLU 319 H on: HN External atom name remapped for: (0) GLU 319 H on: HN External atom name remapped for: (0) ASP 386 H on: HN External atom name remapped for: (0) ASP 386 H on: HN External atom name remapped for: (0) ASP 386 H on: HN External atom name remapped for: (0) ASP 386 H on: HN External atom name remapped for: (0) ALA 321 H on: HN External atom name remapped for: (0) ALA 321 H on: HN External atom name remapped for: (0) ALA 321 H on: HN External atom name remapped for: (0) THR 322 H on: HN External atom name remapped for: (0) THR 322 H on: HN External atom name remapped for: (0) THR 322 H on: HN External atom name remapped for: (0) GLY 323 H on: HN External atom name remapped for: (0) GLY 323 H on: HN External atom name remapped for: (0) GLY 323 H on: HN External atom name remapped for: (0) GLY 323 H on: HN External atom name remapped for: (0) GLY 323 H on: HN External atom name remapped for: (0) GLN 325 H on: HN External atom name remapped for: (0) GLN 325 H on: HN External atom name remapped for: (0) GLN 325 H on: HN External atom name remapped for: (0) GLN 325 H on: HN External atom name remapped for: (0) GLN 325 H on: HN External atom name remapped for: (0) GLU 326 H on: HN External atom name remapped for: (0) GLU 326 H on: HN External atom name remapped for: (0) GLU 326 H on: HN External atom name remapped for: (0) GLU 326 H on: HN External atom name remapped for: (0) GLU 326 H on: HN External atom name remapped for: (0) ALA 327 H on: HN External atom name remapped for: (0) ALA 327 H on: HN External atom name remapped for: (0) ALA 327 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) ALA 327 H on: HN External atom name remapped for: (0) ALA 327 H on: HN External atom name remapped for: (0) ALA 329 H on: HN External atom name remapped for: (0) ALA 329 H on: HN External atom name remapped for: (0) GLN 330 H on: HN External atom name remapped for: (0) GLN 330 H on: HN External atom name remapped for: (0) GLN 330 H on: HN External atom name remapped for: (0) GLN 330 H on: HN External atom name remapped for: (0) LEU 331 H on: HN External atom name remapped for: (0) LEU 331 H on: HN External atom name remapped for: (0) LEU 331 H on: HN External atom name remapped for: (0) LEU 331 H on: HN External atom name remapped for: (0) ARG 332 H on: HN External atom name remapped for: (0) ARG 332 H on: HN External atom name remapped for: (0) ARG 332 H on: HN External atom name remapped for: (0) ARG 332 H on: HN External atom name remapped for: (0) ARG 332 H on: HN External atom name remapped for: (0) GLU 333 H on: HN External atom name remapped for: (0) GLU 333 H on: HN External atom name remapped for: (0) GLU 333 H on: HN External atom name remapped for: (0) LEU 334 H on: HN External atom name remapped for: (0) CYS 335 H on: HN External atom name remapped for: (0) GLU 333 H on: HN External atom name remapped for: (0) LEU 334 H on: HN External atom name remapped for: (0) ALA 382 H on: HN External atom name remapped for: (0) LEU 334 H on: HN External atom name remapped for: (0) LEU 334 H on: HN External atom name remapped for: (0) ALA 382 H on: HN External atom name remapped for: (0) ALA 382 H on: HN External atom name remapped for: (0) ALA 382 H on: HN External atom name remapped for: (0) ALA 382 H on: HN External atom name remapped for: (0) ARG 340 H on: HN External atom name remapped for: (0) ARG 340 H on: HN External atom name remapped for: (0) ARG 340 H on: HN External atom name remapped for: (0) ARG 340 H on: HN External atom name remapped for: (0) ARG 340 H on: HN External atom name remapped for: (0) ARG 340 H on: HN External atom name remapped for: (0) ARG 340 H on: HN External atom name remapped for: (0) ARG 340 H on: HN External atom name remapped for: (0) GLU 342 H on: HN External atom name remapped for: (0) GLU 342 H on: HN External atom name remapped for: (0) VAL 343 H on: HN External atom name remapped for: (0) VAL 343 H on: HN External atom name remapped for: (0) ARG 344 H on: HN External atom name remapped for: (0) ARG 344 H on: HN External atom name remapped for: (0) VAL 343 H on: HN External atom name remapped for: (0) SER 345 H on: HN External atom name remapped for: (0) SER 345 H on: HN External atom name remapped for: (0) SER 345 H on: HN External atom name remapped for: (0) LYS 346 H on: HN External atom name remapped for: (0) LYS 346 H on: HN External atom name remapped for: (0) GLN 348 H on: HN External atom name remapped for: (0) MET 349 H on: HN External atom name remapped for: (0) MET 349 H on: HN External atom name remapped for: (0) LEU 350 H on: HN External atom name remapped for: (0) LEU 350 H on: HN External atom name remapped for: (0) LEU 352 H on: HN External atom name remapped for: (0) LEU 352 H on: HN External atom name remapped for: (0) LEU 353 H on: HN External atom name remapped for: (0) LEU 353 H on: HN External atom name remapped for: (0) LEU 353 H on: HN External atom name remapped for: (0) LEU 353 H on: HN External atom name remapped for: (0) LEU 353 H on: HN External atom name remapped for: (0) ALA 361 H on: HN External atom name remapped for: (0) ALA 361 H on: HN External atom name remapped for: (0) VAL 354 H on: HN External atom name remapped for: (0) VAL 354 H on: HN External atom name remapped for: (0) LEU 355 H on: HN External atom name remapped for: (0) LEU 355 H on: HN External atom name remapped for: (0) LEU 355 H on: HN External atom name remapped for: (0) GLN 367 H on: HN External atom name remapped for: (0) GLN 367 H on: HN External atom name remapped for: (0) GLN 367 H on: HN External atom name remapped for: (0) GLU 356 H on: HN External atom name remapped for: (0) GLU 356 H on: HN External atom name remapped for: (0) GLU 356 H on: HN External atom name remapped for: (0) GLN 357 H on: HN External atom name remapped for: (0) GLN 357 H on: HN External atom name remapped for: (0) PHE 358 H on: HN External atom name remapped for: (0) GLY 360 H on: HN External atom name remapped for: (0) LEU 359 H on: HN External atom name remapped for: (0) GLY 360 H on: HN External atom name remapped for: (0) GLY 360 H on: HN External atom name remapped for: (0) LEU 362 H on: HN External atom name remapped for: (0) LEU 362 H on: HN External atom name remapped for: (0) LEU 362 H on: HN External atom name remapped for: (0) GLU 365 H on: HN External atom name remapped for: (0) GLU 365 H on: HN External atom name remapped for: (0) ALA 368 H on: HN External atom name remapped for: (0) ALA 368 H on: HN External atom name remapped for: (0) GLY 372 H on: HN External atom name remapped for: (0) GLY 372 H on: HN External atom name remapped for: (0) GLN 373 H on: HN External atom name remapped for: (0) ARG 374 H on: HN External atom name remapped for: (0) ARG 374 H on: HN External atom name remapped for: (0) ARG 374 H on: HN External atom name remapped for: (0) GLY 376 H on: HN External atom name remapped for: (0) GLY 376 H on: HN External atom name remapped for: (0) GLY 376 H on: HN External atom name remapped for: (0) SER 377 H on: HN External atom name remapped for: (0) SER 377 H on: HN External atom name remapped for: (0) SER 377 H on: HN External atom name remapped for: (0) SER 377 H on: HN External atom name remapped for: (0) SER 377 H on: HN External atom name remapped for: (0) SER 377 H on: HN External atom name remapped for: (0) GLU 379 H on: HN External atom name remapped for: (0) GLU 379 H on: HN External atom name remapped for: (0) GLU 380 H on: HN External atom name remapped for: (0) ALA 381 H on: HN External atom name remapped for: (0) ALA 381 H on: HN External atom name remapped for: (0) ALA 381 H on: HN External atom name remapped for: (0) ALA 381 H on: HN External atom name remapped for: (0) ALA 381 H on: HN External atom name remapped for: (0) ALA 381 H on: HN External atom name remapped for: (0) ALA 383 H on: HN External atom name remapped for: (0) ALA 383 H on: HN External atom name remapped for: (0) ALA 383 H on: HN External atom name remapped for: (0) ARG 389 H on: HN External atom name remapped for: (0) ARG 389 H on: HN External atom name remapped for: (0) LEU 384 H on: HN External atom name remapped for: (0) LEU 384 H on: HN External atom name remapped for: (0) VAL 385 H on: HN External atom name remapped for: (0) VAL 385 H on: HN External atom name remapped for: (0) VAL 385 H on: HN External atom name remapped for: (0) GLY 387 H on: HN External atom name remapped for: (0) LEU 388 H on: HN External atom name remapped for: (0) LEU 388 H on: HN External atom name remapped for: (0) LEU 388 H on: HN External atom name remapped for: (0) GLU 391 H on: HN External atom name remapped for: (0) GLU 391 H on: HN External atom name remapped for: (0) ARG 390 H on: HN External atom name remapped for: (0) ARG 390 H on: HN External atom name remapped for: (0) PHE 358 H on: HN External atom name remapped for: (0) GLY 360 H on: HN External atom name remapped for: (0) ALA 329 H on: HN External atom name remapped for: (0) LEU 331 H on: HN External atom name remapped for: (0) GLN 325 H on: HN External atom name remapped for: (0) GLU 326 H on: HN External atom name remapped for: (0) ARG 310 H on: HN External atom name remapped for: (0) HIS 317 H on: HN External atom name remapped for: (0) TYR 318 H on: HN External atom name remapped for: (0) TYR 318 H on: HN External atom name remapped for: (0) GLU 319 H on: HN External atom name remapped for: (0) GLY 387 H on: HN External atom name remapped for: (0) ASP 386 H on: HN External atom name remapped for: (0) ALA 308 H on: HN External atom name remapped for: (0) LEU 350 H on: HN External atom name remapped for: (0) LEU 352 H on: HN External atom name remapped for: (0) GLN 330 H on: HN External atom name remapped for: (0) GLN 330 H on: HN External atom name remapped for: (0) LEU 334 H on: HN External atom name remapped for: (0) ARG 336 H on: HN External atom name remapped for: (0) LEU 384 H on: HN External atom name remapped for: (0) GLY 387 H on: HN External atom name remapped for: (0) MET 349 H on: HN External atom name remapped for: (0) MET 349 H on: HN External atom name remapped for: (0) LEU 353 H on: HN External atom name remapped for: (0) LEU 359 H on: HN External atom name remapped for: (0) ARG 369 H on: HN External atom name remapped for: (0) VAL 370 H on: HN External atom name remapped for: (0) VAL 370 H on: HN External atom name remapped for: (0) GLN 371 H on: HN External atom name remapped for: (0) SER 377 H on: HN External atom name remapped for: (0) GLU 380 H on: HN External atom name remapped for: (0) GLU 380 H on: HN External atom name remapped for: (0) GLY 360 H on: HN External atom name remapped for: (0) LEU 362 H on: HN External atom name remapped for: (0) GLU 319 H on: HN External atom name remapped for: (0) TYR 318 H on: HN External atom name remapped for: (0) HIS 317 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) GLN 57 H on: HN External atom name remapped for: (0) CYS 335 H on: HN External atom name remapped for: (0) CYS 335 H on: HN External atom name remapped for: (0) GLN 57 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) ALA 382 H on: HN External atom name remapped for: (0) HIS 317 H on: HN External atom name remapped for: (0) ARG 36 H on: HN External atom name remapped for: (0) PHE 58 H on: HN External atom name remapped for: (0) TYR 18 H on: HN External atom name remapped for: (0) ALA 9 H on: HN External atom name remapped for: (0) GLU 7 H on: HN External atom name remapped for: (0) GLU 7 H on: HN External atom name remapped for: (0) ALA 8 H on: HN External atom name remapped for: (0) LEU 11 H on: HN External atom name remapped for: (0) ARG 12 H on: HN External atom name remapped for: (0) ARG 14 H on: HN External atom name remapped for: (0) PHE 13 H on: HN External atom name remapped for: (0) PHE 16 H on: HN External atom name remapped for: (0) PHE 16 H on: HN External atom name remapped for: (0) HIS 17 H on: HN External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) ALA 383 H on: HN External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) GLN 25 H on: HN External atom name remapped for: (0) GLU 26 H on: HN External atom name remapped for: (0) GLU 26 H on: HN External atom name remapped for: (0) ALA 27 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) LEU 28 H on: HN External atom name remapped for: (0) LEU 31 H on: HN External atom name remapped for: (0) ARG 32 H on: HN External atom name remapped for: (0) LEU 355 H on: HN External atom name remapped for: (0) PHE 358 H on: HN External atom name remapped for: (0) LEU 359 H on: HN External atom name remapped for: (0) ALA 382 H on: HN External atom name remapped for: (0) ALA 383 H on: HN External atom name remapped for: (0) GLN 30 H on: HN External atom name remapped for: (0) GLN 30 H on: HN External atom name remapped for: (0) LEU 31 H on: HN External atom name remapped for: (0) LEU 31 H on: HN External atom name remapped for: (0) ARG 32 H on: HN External atom name remapped for: (0) GLN 357 H on: HN External atom name remapped for: (0) PHE 358 H on: HN External atom name remapped for: (0) ARG 32 H on: HN External atom name remapped for: (0) LEU 34 H on: HN External atom name remapped for: (0) CYS 35 H on: HN External atom name remapped for: (0) GLN 37 H on: HN External atom name remapped for: (0) CYS 35 H on: HN External atom name remapped for: (0) ARG 36 H on: HN External atom name remapped for: (0) GLN 37 H on: HN External atom name remapped for: (0) TRP 38 H on: HN External atom name remapped for: (0) TRP 38 H on: HN External atom name remapped for: (0) LEU 39 H on: HN External atom name remapped for: (0) MET 49 H on: HN External atom name remapped for: (0) LEU 52 H on: HN External atom name remapped for: (0) LEU 353 H on: HN External atom name remapped for: (0) VAL 354 H on: HN External atom name remapped for: (0) ARG 40 H on: HN External atom name remapped for: (0) ARG 40 H on: HN External atom name remapped for: (0) GLU 42 H on: HN External atom name remapped for: (0) GLU 42 H on: HN External atom name remapped for: (0) VAL 43 H on: HN External atom name remapped for: (0) SER 45 H on: HN External atom name remapped for: (0) ARG 44 H on: HN External atom name remapped for: (0) SER 45 H on: HN External atom name remapped for: (0) GLN 48 H on: HN External atom name remapped for: (0) MET 49 H on: HN External atom name remapped for: (0) LYS 46 H on: HN External atom name remapped for: (0) GLU 47 H on: HN External atom name remapped for: (0) GLN 48 H on: HN External atom name remapped for: (0) LYS 46 H on: HN External atom name remapped for: (0) GLU 47 H on: HN External atom name remapped for: (0) GLU 47 H on: HN External atom name remapped for: (0) GLU 47 H on: HN External atom name remapped for: (0) GLU 47 H on: HN External atom name remapped for: (0) GLN 48 H on: HN External atom name remapped for: (0) GLN 48 H on: HN External atom name remapped for: (0) LEU 50 H on: HN External atom name remapped for: (0) LEU 50 H on: HN External atom name remapped for: (0) GLU 51 H on: HN External atom name remapped for: (0) ARG 340 H on: HN External atom name remapped for: (0) GLU 342 H on: HN External atom name remapped for: (0) GLU 51 H on: HN External atom name remapped for: (0) GLU 51 H on: HN External atom name remapped for: (0) LEU 52 H on: HN External atom name remapped for: (0) LEU 53 H on: HN External atom name remapped for: (0) LEU 53 H on: HN External atom name remapped for: (0) VAL 54 H on: HN External atom name remapped for: (0) GLU 56 H on: HN External atom name remapped for: (0) GLN 57 H on: HN External atom name remapped for: (0) VAL 54 H on: HN External atom name remapped for: (0) VAL 54 H on: HN External atom name remapped for: (0) LEU 55 H on: HN External atom name remapped for: (0) GLN 57 H on: HN External atom name remapped for: (0) PHE 58 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) CYS 335 H on: HN External atom name remapped for: (0) ARG 336 H on: HN External atom name remapped for: (0) LEU 55 H on: HN External atom name remapped for: (0) LEU 55 H on: HN External atom name remapped for: (0) GLU 56 H on: HN External atom name remapped for: (0) GLY 76 H on: HN External atom name not found: (0) GLY 76 HA3 copying atom name instead External atom name remapped for: (0) SER 77 H on: HN External atom name remapped for: (0) GLU 80 H on: HN External atom name remapped for: (0) ALA 81 H on: HN External atom name remapped for: (0) ALA 82 H on: HN External atom name remapped for: (0) GLU 56 H on: HN External atom name remapped for: (0) GLN 57 H on: HN External atom name remapped for: (0) GLY 60 H on: HN External atom name remapped for: (0) PHE 58 H on: HN External atom name remapped for: (0) PHE 58 H on: HN External atom name remapped for: (0) LEU 59 H on: HN External atom name remapped for: (0) LEU 59 H on: HN External atom name remapped for: (0) GLY 76 H on: HN External atom name remapped for: (0) ALA 81 H on: HN External atom name remapped for: (0) ILE 66 H on: HN External atom name remapped for: (0) GLU 79 H on: HN External atom name remapped for: (0) GLU 80 H on: HN External atom name remapped for: (0) ALA 82 H on: HN External atom name remapped for: (0) ALA 83 H on: HN External atom name remapped for: (0) ALA 83 H on: HN External atom name remapped for: (0) GLY 87 H on: HN External atom name remapped for: (0) LEU 88 H on: HN External atom name remapped for: (0) LEU 88 H on: HN External atom name remapped for: (0) ARG 89 H on: HN External atom name remapped for: (0) GLU 91 H on: HN External atom name remapped for: (0) GLU 91 H on: HN External atom name remapped for: (0) ALA 309 H on: HN External atom name remapped for: (0) GLU 307 H on: HN External atom name remapped for: (0) GLU 307 H on: HN External atom name remapped for: (0) ALA 308 H on: HN External atom name remapped for: (0) LEU 311 H on: HN External atom name remapped for: (0) ARG 312 H on: HN External atom name remapped for: (0) ARG 314 H on: HN External atom name remapped for: (0) PHE 313 H on: HN External atom name remapped for: (0) PHE 316 H on: HN External atom name remapped for: (0) PHE 316 H on: HN External atom name remapped for: (0) HIS 317 H on: HN External atom name remapped for: (0) GLN 325 H on: HN External atom name remapped for: (0) GLN 325 H on: HN External atom name remapped for: (0) GLN 325 H on: HN External atom name remapped for: (0) GLN 325 H on: HN External atom name remapped for: (0) GLU 326 H on: HN External atom name remapped for: (0) GLU 326 H on: HN External atom name remapped for: (0) GLU 326 H on: HN External atom name remapped for: (0) ALA 327 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) LEU 328 H on: HN External atom name remapped for: (0) LEU 331 H on: HN External atom name remapped for: (0) ARG 332 H on: HN External atom name remapped for: (0) GLN 330 H on: HN External atom name remapped for: (0) LEU 331 H on: HN External atom name remapped for: (0) ARG 332 H on: HN External atom name remapped for: (0) ARG 332 H on: HN External atom name remapped for: (0) LEU 334 H on: HN External atom name remapped for: (0) CYS 335 H on: HN External atom name remapped for: (0) GLN 337 H on: HN External atom name remapped for: (0) GLN 337 H on: HN External atom name remapped for: (0) TRP 338 H on: HN External atom name remapped for: (0) TRP 338 H on: HN External atom name remapped for: (0) LEU 339 H on: HN External atom name remapped for: (0) MET 349 H on: HN External atom name remapped for: (0) LEU 352 H on: HN External atom name remapped for: (0) ARG 340 H on: HN External atom name remapped for: (0) GLU 342 H on: HN External atom name remapped for: (0) VAL 343 H on: HN External atom name remapped for: (0) SER 345 H on: HN External atom name remapped for: (0) ARG 344 H on: HN External atom name remapped for: (0) SER 345 H on: HN External atom name remapped for: (0) GLN 348 H on: HN External atom name remapped for: (0) MET 349 H on: HN External atom name remapped for: (0) LYS 346 H on: HN External atom name remapped for: (0) GLU 347 H on: HN External atom name remapped for: (0) GLN 348 H on: HN External atom name remapped for: (0) LYS 346 H on: HN External atom name remapped for: (0) GLU 347 H on: HN External atom name remapped for: (0) GLU 347 H on: HN External atom name remapped for: (0) GLU 347 H on: HN External atom name remapped for: (0) GLU 347 H on: HN External atom name remapped for: (0) GLN 348 H on: HN External atom name remapped for: (0) GLN 348 H on: HN External atom name remapped for: (0) LEU 350 H on: HN External atom name remapped for: (0) LEU 350 H on: HN External atom name remapped for: (0) GLU 351 H on: HN External atom name remapped for: (0) GLU 351 H on: HN External atom name remapped for: (0) GLU 351 H on: HN External atom name remapped for: (0) LEU 352 H on: HN External atom name remapped for: (0) LEU 353 H on: HN External atom name remapped for: (0) VAL 354 H on: HN External atom name remapped for: (0) GLU 356 H on: HN External atom name remapped for: (0) GLN 357 H on: HN External atom name remapped for: (0) VAL 354 H on: HN External atom name remapped for: (0) LEU 355 H on: HN External atom name remapped for: (0) GLN 357 H on: HN External atom name remapped for: (0) PHE 358 H on: HN External atom name remapped for: (0) LEU 355 H on: HN External atom name remapped for: (0) GLU 356 H on: HN External atom name remapped for: (0) GLY 376 H on: HN External atom name not found: (0) GLY 376 HA3 copying atom name instead External atom name remapped for: (0) SER 377 H on: HN External atom name remapped for: (0) GLU 380 H on: HN External atom name remapped for: (0) ALA 381 H on: HN External atom name remapped for: (0) ALA 382 H on: HN External atom name remapped for: (0) GLU 356 H on: HN External atom name remapped for: (0) GLY 360 H on: HN External atom name remapped for: (0) LEU 359 H on: HN External atom name remapped for: (0) LEU 359 H on: HN External atom name remapped for: (0) GLY 376 H on: HN External atom name remapped for: (0) ALA 381 H on: HN External atom name remapped for: (0) GLY 360 H on: HN External atom name remapped for: (0) LEU 362 H on: HN External atom name remapped for: (0) GLN 367 H on: HN External atom name remapped for: (0) ALA 368 H on: HN External atom name remapped for: (0) VAL 370 H on: HN External atom name remapped for: (0) GLN 371 H on: HN External atom name remapped for: (0) ILE 366 H on: HN External atom name remapped for: (0) GLU 379 H on: HN External atom name remapped for: (0) GLU 380 H on: HN External atom name remapped for: (0) VAL 385 H on: HN External atom name remapped for: (0) ASP 386 H on: HN External atom name remapped for: (0) GLY 387 H on: HN External atom name remapped for: (0) LEU 388 H on: HN External atom name remapped for: (0) LEU 388 H on: HN External atom name remapped for: (0) ARG 389 H on: HN External atom name remapped for: (0) GLU 391 H on: HN External atom name remapped for: (0) GLU 391 H on: HN * One or more atoms could not be found in the AtomLIB (in ProcessDROutput: Beginning restraint output) (in MapAtomsInDRestraints: preparing to map atom names in the restraint list) Now opening: /u/jurgen/src/aqua3.2/data/AtomLIB-xplor (in ProcessAtomLIB: reading standard AtomLIB) (in ProcessAtomLIB: 677 atom name definitions read) (in MapAtomsIn1DR: mapping internal to external atom names) (in MapAtomsIn1DR: using routine FindAtom3) (in MapAtomsIn1DR: guessing OFF) * Distance restraints have been written (in ProcessDROutput: Restraint output finished)