log started: Wed Apr 4 16:54:41 2012 Log file: ./leap.log >> # >> # ----- leaprc for loading the ff03 (Duan et al.) force field >> # >> # load atom type hybridizations >> # >> addAtomTypes { >> { "H" "H" "sp3" } >> { "HO" "H" "sp3" } >> { "HS" "H" "sp3" } >> { "H1" "H" "sp3" } >> { "H2" "H" "sp3" } >> { "H3" "H" "sp3" } >> { "H4" "H" "sp3" } >> { "H5" "H" "sp3" } >> { "HW" "H" "sp3" } >> { "HC" "H" "sp3" } >> { "HA" "H" "sp3" } >> { "HP" "H" "sp3" } >> { "OH" "O" "sp3" } >> { "OS" "O" "sp3" } >> { "O" "O" "sp2" } >> { "O2" "O" "sp2" } >> { "OW" "O" "sp3" } >> { "CT" "C" "sp3" } >> { "CH" "C" "sp3" } >> { "C2" "C" "sp3" } >> { "C3" "C" "sp3" } >> { "C" "C" "sp2" } >> { "C*" "C" "sp2" } >> { "CA" "C" "sp2" } >> { "CB" "C" "sp2" } >> { "CC" "C" "sp2" } >> { "CN" "C" "sp2" } >> { "CM" "C" "sp2" } >> { "CK" "C" "sp2" } >> { "CQ" "C" "sp2" } >> { "CD" "C" "sp2" } >> { "CE" "C" "sp2" } >> { "CF" "C" "sp2" } >> { "CP" "C" "sp2" } >> { "CI" "C" "sp2" } >> { "CJ" "C" "sp2" } >> { "CW" "C" "sp2" } >> { "CV" "C" "sp2" } >> { "CR" "C" "sp2" } >> { "CA" "C" "sp2" } >> { "CY" "C" "sp2" } >> { "C0" "C" "sp2" } >> { "MG" "Mg" "sp3" } >> { "N" "N" "sp2" } >> { "NA" "N" "sp2" } >> { "N2" "N" "sp2" } >> { "N*" "N" "sp2" } >> { "NP" "N" "sp2" } >> { "NQ" "N" "sp2" } >> { "NB" "N" "sp2" } >> { "NC" "N" "sp2" } >> { "NT" "N" "sp3" } >> { "N3" "N" "sp3" } >> { "S" "S" "sp3" } >> { "SH" "S" "sp3" } >> { "P" "P" "sp3" } >> { "LP" "" "sp3" } >> { "F" "F" "sp3" } >> { "CL" "Cl" "sp3" } >> { "BR" "Br" "sp3" } >> { "I" "I" "sp3" } >> { "FE" "Fe" "sp3" } >> # things should be there >> { "IM" "Cl" "sp3" } >> { "IP" "Na" "sp3" } >> { "Li" "Li" "sp3" } >> { "K" "K" "sp3" } >> { "Rb" "Rb" "sp3" } >> { "Cs" "Cs" "sp3" } >> { "Zn" "Zn" "sp3" } >> { "IB" "Na" "sp3" } >> # "new" types >> { "H0" "H" "sp3" } >> >> } >> # >> # Load the main parameter set. >> # >> parm99 = loadamberparams parm99.dat Loading parameters: /Library/WebServer/Documents/dnasite/amber11/dat/leap/parm/parm99.dat Reading title: PARM99 for DNA,RNA,AA, organic molecules, TIP3P wat. Polariz.& LP incl.02/04/99 (UNKNOWN ATOM TYPE: HZ) (UNKNOWN ATOM TYPE: NY) (UNKNOWN ATOM TYPE: LP) >> frcmod03 = loadamberparams frcmod.ff03 Loading parameters: /Library/WebServer/Documents/dnasite/amber11/dat/leap/parm/frcmod.ff03 Reading force field modification type file (frcmod) Reading title: Duan et al ff03 phi psi torsions >> >> # >> # Load water and ions >> # >> loadOff ions94.lib Loading library: /Library/WebServer/Documents/dnasite/amber11/dat/leap/lib/ions94.lib Loading: CIO Loading: Cl- Loading: Cs+ Loading: IB Loading: K+ Loading: Li+ Loading: MG2 Loading: Na+ Loading: Rb+ >> loadOff solvents.lib Loading library: /Library/WebServer/Documents/dnasite/amber11/dat/leap/lib/solvents.lib Loading: CHCL3BOX Loading: DC4 Loading: MEOHBOX Loading: NMABOX Loading: PL3 Loading: POL3BOX Loading: QSPCFWBOX Loading: SPC Loading: SPCBOX Loading: SPCFWBOX Loading: SPF Loading: SPG Loading: T4E Loading: TIP3PBOX Loading: TIP3PFBOX Loading: TIP4PBOX Loading: TIP4PEWBOX Loading: TP3 Loading: TP4 Loading: TP5 Loading: TPF >> HOH = TP3 >> WAT = TP3 >> >> # >> # Load the existing 94 lib for nucleic acids and C- and N- terminal groups >> # >> # >> # Load DNA/RNA libraries >> # >> loadOff all_nucleic94.lib Loading library: /Library/WebServer/Documents/dnasite/amber11/dat/leap/lib/all_nucleic94.lib Loading: DA Loading: DA3 Loading: DA5 Loading: DAN Loading: DC Loading: DC3 Loading: DC5 Loading: DCN Loading: DG Loading: DG3 Loading: DG5 Loading: DGN Loading: DT Loading: DT3 Loading: DT5 Loading: DTN Loading: RA Loading: RA3 Loading: RA5 Loading: RAN Loading: RC Loading: RC3 Loading: RC5 Loading: RCN Loading: RG Loading: RG3 Loading: RG5 Loading: RGN Loading: RU Loading: RU3 Loading: RU5 Loading: RUN >> # >> # Load main chain and terminating >> # amino acid libraries. >> # >> loadOff all_aminoct03.lib Loading library: /Library/WebServer/Documents/dnasite/amber11/dat/leap/lib/all_aminoct03.lib Loading: CALA Loading: CARG Loading: CASN Loading: CASP Loading: CCYS Loading: CGLN Loading: CGLU Loading: CGLY Loading: CHID Loading: CHIE Loading: CHIP Loading: CILE Loading: CLEU Loading: CLYS Loading: CMET Loading: CPHE Loading: CPRO Loading: CSER Loading: CTHR Loading: CTRP Loading: CTYR Loading: CVAL Loading: NHE Loading: NME >> loadOff all_aminont03.lib Loading library: /Library/WebServer/Documents/dnasite/amber11/dat/leap/lib/all_aminont03.lib Loading: ACE Loading: NALA Loading: NARG Loading: NASN Loading: NASP Loading: NCYS Loading: NGLN Loading: NGLU Loading: NGLY Loading: NHID Loading: NHIE Loading: NHIP Loading: NILE Loading: NLEU Loading: NLYS Loading: NMET Loading: NPHE Loading: NPRO Loading: NSER Loading: NTHR Loading: NTRP Loading: NTYR Loading: NVAL >> loadOff all_amino03.lib Loading library: /Library/WebServer/Documents/dnasite/amber11/dat/leap/lib/all_amino03.lib Loading: ACE Loading: ALA Loading: ARG Loading: ASH Loading: ASN Loading: ASP Loading: CYM Loading: CYS Loading: CYX Loading: GLH Loading: GLN Loading: GLU Loading: GLY Loading: HID Loading: HIE Loading: HIP Loading: ILE Loading: LEU Loading: LYN Loading: LYS Loading: MET Loading: NHE Loading: NME Loading: PHE Loading: PRO Loading: SER Loading: THR Loading: TRP Loading: TYR Loading: VAL >> >> >> # >> # Define the PDB name map for the amino acids and DNA. >> # >> addPdbResMap { >> { 0 "ALA" "NALA" } { 1 "ALA" "CALA" } >> { 0 "ARG" "NARG" } { 1 "ARG" "CARG" } >> { 0 "ASN" "NASN" } { 1 "ASN" "CASN" } >> { 0 "ASP" "NASP" } { 1 "ASP" "CASP" } >> { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" } >> { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" } >> { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" } >> { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" } >> { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" } >> { 0 "HID" "NHID" } { 1 "HID" "CHID" } >> { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" } >> { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" } >> { 0 "ILE" "NILE" } { 1 "ILE" "CILE" } >> { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" } >> { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" } >> { 0 "MET" "NMET" } { 1 "MET" "CMET" } >> { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" } >> { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" } >> { 0 "SER" "NSER" } { 1 "SER" "CSER" } >> { 0 "THR" "NTHR" } { 1 "THR" "CTHR" } >> { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" } >> { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" } >> { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" } >> { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" } >> { 0 "GUA" "DG5" } { 1 "GUA" "DG3" } { "GUA" "DG" } >> { 0 "ADE" "DA5" } { 1 "ADE" "DA3" } { "ADE" "DA" } >> { 0 "CYT" "DC5" } { 1 "CYT" "DC3" } { "CYT" "DC" } >> { 0 "THY" "DT5" } { 1 "THY" "DT3" } { "THY" "DT" } >> { 0 "G" "RG5" } { 1 "G" "RG3" } { "G" "RG" } { "GN" "RGN" } >> { 0 "A" "RA5" } { 1 "A" "RA3" } { "A" "RA" } { "AN" "RAN" } >> { 0 "C" "RC5" } { 1 "C" "RC3" } { "C" "RC" } { "CN" "RCN" } >> { 0 "U" "RU5" } { 1 "U" "RU3" } { "U" "RU" } { "UN" "RUN" } >> { 0 "DG" "DG5" } { 1 "DG" "DG3" } >> { 0 "DA" "DA5" } { 1 "DA" "DA3" } >> { 0 "DC" "DC5" } { 1 "DC" "DC3" } >> { 0 "DT" "DT5" } { 1 "DT" "DT3" } >> >> } >> >> addPdbAtomMap { >> { "O5*" "O5'" } >> { "C5*" "C5'" } >> { "C4*" "C4'" } >> { "O4*" "O4'" } >> { "C3*" "C3'" } >> { "O3*" "O3'" } >> { "C2*" "C2'" } >> { "O2*" "O2'" } >> { "C1*" "C1'" } >> { "C5M" "C7" } >> { "H1*" "H1'" } >> { "H2*1" "H2'1" } >> { "H2*2" "H2'2" } >> { "H2'" "H2'1" } >> { "H2''" "H2'2" } >> { "H3*" "H3'" } >> { "H4*" "H4'" } >> { "H5*1" "H5'1" } >> { "H5*2" "H5'2" } >> { "H5'" "H5'1" } >> { "H5''" "H5'2" } >> { "HO2'" "HO'2" } >> { "HO5'" "H5T" } >> { "HO3'" "H3T" } >> # old ff atom names -> new >> { "O1'" "O4'" } >> { "OA" "O1P" } >> { "OB" "O2P" } >> { "OP1" "O1P" } >> { "OP2" "O2P" } >> } >> >> >> # >> # assumed that most often proteins use HIE >> # >> NHIS = NHIE >> HIS = HIE >> CHIS = CHIE > > set default PBradii bondi Using Bondi radii > trx = loadpdb amber-724768-A-wild.pdb Loading PDB file: ./amber-724768-A-wild.pdb Enter zPdbReadScan from call depth 0. Exit zPdbReadScan from call depth 0. Matching PDB residue names to LEaP variables. Mapped residue ARG, term: Terminal/beginning, seq. number: 0 to: NARG. (Residue 1: LYS, Nonterminal, was not found in name map.) (Residue 2: SER, Nonterminal, was not found in name map.) (Residue 3: ARG, Nonterminal, was not found in name map.) (Residue 4: ILE, Nonterminal, was not found in name map.) (Residue 5: THR, Nonterminal, was not found in name map.) (Residue 6: ASN, Nonterminal, was not found in name map.) (Residue 7: TYR, Nonterminal, was not found in name map.) (Residue 8: PRO, Nonterminal, was not found in name map.) (Residue 9: LYS, Nonterminal, was not found in name map.) (Residue 10: LEU, Nonterminal, was not found in name map.) (Residue 11: GLU, Nonterminal, was not found in name map.) (Residue 12: ASP, Nonterminal, was not found in name map.) (Residue 13: ALA, Nonterminal, was not found in name map.) (Residue 14: ASN, Nonterminal, was not found in name map.) (Residue 15: LYS, Nonterminal, was not found in name map.) (Residue 16: ALA, Nonterminal, was not found in name map.) (Residue 17: GLY, Nonterminal, was not found in name map.) (Residue 18: THR, Nonterminal, was not found in name map.) (Residue 19: LYS, Nonterminal, was not found in name map.) (Residue 20: GLU, Nonterminal, was not found in name map.) (Residue 21: GLY, Nonterminal, was not found in name map.) (Residue 22: TYR, Nonterminal, was not found in name map.) (Residue 23: LYS, Nonterminal, was not found in name map.) (Residue 24: CYS, Nonterminal, was not found in name map.) (Residue 25: THR, Nonterminal, was not found in name map.) (Residue 26: LEU, Nonterminal, was not found in name map.) (Residue 27: VAL, Nonterminal, was not found in name map.) (Residue 28: LEU, Nonterminal, was not found in name map.) (Residue 29: THR, Nonterminal, was not found in name map.) (Residue 30: GLU, Nonterminal, was not found in name map.) (Residue 31: GLY, Nonterminal, was not found in name map.) (Residue 32: ASP, Nonterminal, was not found in name map.) (Residue 33: SER, Nonterminal, was not found in name map.) (Residue 34: ALA, Nonterminal, was not found in name map.) (Residue 35: LEU, Nonterminal, was not found in name map.) (Residue 36: SER, Nonterminal, was not found in name map.) (Residue 37: LEU, Nonterminal, was not found in name map.) (Residue 38: ALA, Nonterminal, was not found in name map.) (Residue 39: VAL, Nonterminal, was not found in name map.) (Residue 40: ALA, Nonterminal, was not found in name map.) (Residue 41: GLY, Nonterminal, was not found in name map.) (Residue 42: LEU, Nonterminal, was not found in name map.) (Residue 43: ALA, Nonterminal, was not found in name map.) (Residue 44: VAL, Nonterminal, was not found in name map.) (Residue 45: VAL, Nonterminal, was not found in name map.) (Residue 46: GLY, Nonterminal, was not found in name map.) (Residue 47: ARG, Nonterminal, was not found in name map.) (Residue 48: ASP, Nonterminal, was not found in name map.) (Residue 49: TYR, Nonterminal, was not found in name map.) (Residue 50: TYR, Nonterminal, was not found in name map.) (Residue 51: GLY, Nonterminal, was not found in name map.) (Residue 52: CYS, Nonterminal, was not found in name map.) (Residue 53: TYR, Nonterminal, was not found in name map.) (Residue 54: PRO, Nonterminal, was not found in name map.) (Residue 55: LEU, Nonterminal, was not found in name map.) (Residue 56: ARG, Nonterminal, was not found in name map.) (Residue 57: GLY, Nonterminal, was not found in name map.) (Residue 58: LYS, Nonterminal, was not found in name map.) (Residue 59: MET, Nonterminal, was not found in name map.) (Residue 60: LEU, Nonterminal, was not found in name map.) (Residue 61: ASN, Nonterminal, was not found in name map.) (Residue 62: VAL, Nonterminal, was not found in name map.) (Residue 63: ARG, Nonterminal, was not found in name map.) (Residue 64: GLU, Nonterminal, was not found in name map.) (Residue 65: ALA, Nonterminal, was not found in name map.) (Residue 66: SER, Nonterminal, was not found in name map.) (Residue 67: ALA, Nonterminal, was not found in name map.) (Residue 68: ASP, Nonterminal, was not found in name map.) (Residue 69: GLN, Nonterminal, was not found in name map.) (Residue 70: ILE, Nonterminal, was not found in name map.) (Residue 71: LEU, Nonterminal, was not found in name map.) (Residue 72: LYS, Nonterminal, was not found in name map.) (Residue 73: ASN, Nonterminal, was not found in name map.) (Residue 74: ALA, Nonterminal, was not found in name map.) (Residue 75: GLU, Nonterminal, was not found in name map.) (Residue 76: ILE, Nonterminal, was not found in name map.) (Residue 77: GLN, Nonterminal, was not found in name map.) (Residue 78: ALA, Nonterminal, was not found in name map.) (Residue 79: ILE, Nonterminal, was not found in name map.) (Residue 80: LYS, Nonterminal, was not found in name map.) (Residue 81: LYS, Nonterminal, was not found in name map.) (Residue 82: ILE, Nonterminal, was not found in name map.) (Residue 83: MET, Nonterminal, was not found in name map.) (Residue 84: GLY, Nonterminal, was not found in name map.) (Residue 85: LEU, Nonterminal, was not found in name map.) (Residue 86: GLN, Nonterminal, was not found in name map.) (Residue 87: HIS, Nonterminal, was not found in name map.) (Residue 88: ARG, Nonterminal, was not found in name map.) (Residue 89: LYS, Nonterminal, was not found in name map.) (Residue 90: LYS, Nonterminal, was not found in name map.) (Residue 91: TYR, Nonterminal, was not found in name map.) (Residue 92: GLU, Nonterminal, was not found in name map.) (Residue 93: ASP, Nonterminal, was not found in name map.) (Residue 94: THR, Nonterminal, was not found in name map.) (Residue 95: LYS, Nonterminal, was not found in name map.) (Residue 96: SER, Nonterminal, was not found in name map.) (Residue 97: LEU, Nonterminal, was not found in name map.) (Residue 98: ARG, Nonterminal, was not found in name map.) (Residue 99: TYR, Nonterminal, was not found in name map.) (Residue 100: GLY, Nonterminal, was not found in name map.) (Residue 101: HID, Nonterminal, was not found in name map.) (Residue 102: LEU, Nonterminal, was not found in name map.) (Residue 103: MET, Nonterminal, was not found in name map.) (Residue 104: ILE, Nonterminal, was not found in name map.) (Residue 105: MET, Nonterminal, was not found in name map.) (Residue 106: THR, Nonterminal, was not found in name map.) (Residue 107: ASP, Nonterminal, was not found in name map.) (Residue 108: GLN, Nonterminal, was not found in name map.) (Residue 109: ASP, Nonterminal, was not found in name map.) (Residue 110: HIS, Nonterminal, was not found in name map.) (Residue 111: ASP, Nonterminal, was not found in name map.) (Residue 112: GLY, Nonterminal, was not found in name map.) (Residue 113: SER, Nonterminal, was not found in name map.) (Residue 114: HIS, Nonterminal, was not found in name map.) (Residue 115: ILE, Nonterminal, was not found in name map.) (Residue 116: LYS, Nonterminal, was not found in name map.) (Residue 117: GLY, Nonterminal, was not found in name map.) (Residue 118: LEU, Nonterminal, was not found in name map.) (Residue 119: ILE, Nonterminal, was not found in name map.) (Residue 120: ILE, Nonterminal, was not found in name map.) (Residue 121: ASN, Nonterminal, was not found in name map.) (Residue 122: PHE, Nonterminal, was not found in name map.) (Residue 123: LEU, Nonterminal, was not found in name map.) (Residue 124: GLU, Nonterminal, was not found in name map.) (Residue 125: SER, Nonterminal, was not found in name map.) (Residue 126: SER, Nonterminal, was not found in name map.) (Residue 127: PHE, Nonterminal, was not found in name map.) (Residue 128: LEU, Nonterminal, was not found in name map.) (Residue 129: GLY, Nonterminal, was not found in name map.) (Residue 130: LEU, Nonterminal, was not found in name map.) (Residue 131: LEU, Nonterminal, was not found in name map.) (Residue 132: ASP, Nonterminal, was not found in name map.) (Residue 133: ILE, Nonterminal, was not found in name map.) (Residue 134: GLN, Nonterminal, was not found in name map.) (Residue 135: GLY, Nonterminal, was not found in name map.) (Residue 136: PHE, Nonterminal, was not found in name map.) (Residue 137: LEU, Nonterminal, was not found in name map.) (Residue 138: LEU, Nonterminal, was not found in name map.) (Residue 139: GLU, Nonterminal, was not found in name map.) (Residue 140: PHE, Nonterminal, was not found in name map.) (Residue 141: ILE, Nonterminal, was not found in name map.) (Residue 142: THR, Nonterminal, was not found in name map.) (Residue 143: PRO, Nonterminal, was not found in name map.) (Residue 144: ILE, Nonterminal, was not found in name map.) (Residue 145: ILE, Nonterminal, was not found in name map.) (Residue 146: LYS, Nonterminal, was not found in name map.) (Residue 147: VAL, Nonterminal, was not found in name map.) (Residue 148: SER, Nonterminal, was not found in name map.) (Residue 149: ILE, Nonterminal, was not found in name map.) (Residue 150: THR, Nonterminal, was not found in name map.) (Residue 151: LYS, Nonterminal, was not found in name map.) (Residue 152: PRO, Nonterminal, was not found in name map.) (Residue 153: THR, Nonterminal, was not found in name map.) (Residue 154: LYS, Nonterminal, was not found in name map.) (Residue 155: ASN, Nonterminal, was not found in name map.) (Residue 156: THR, Nonterminal, was not found in name map.) (Residue 157: ILE, Nonterminal, was not found in name map.) (Residue 158: ALA, Nonterminal, was not found in name map.) (Residue 159: PHE, Nonterminal, was not found in name map.) (Residue 160: TYR, Nonterminal, was not found in name map.) (Residue 161: ASN, Nonterminal, was not found in name map.) (Residue 162: MET, Nonterminal, was not found in name map.) (Residue 163: PRO, Nonterminal, was not found in name map.) (Residue 164: ASP, Nonterminal, was not found in name map.) (Residue 165: TYR, Nonterminal, was not found in name map.) (Residue 166: GLU, Nonterminal, was not found in name map.) (Residue 167: LYS, Nonterminal, was not found in name map.) (Residue 168: TRP, Nonterminal, was not found in name map.) (Residue 169: ARG, Nonterminal, was not found in name map.) (Residue 170: GLU, Nonterminal, was not found in name map.) (Residue 171: GLU, Nonterminal, was not found in name map.) (Residue 172: GLU, Nonterminal, was not found in name map.) (Residue 173: SER, Nonterminal, was not found in name map.) (Residue 174: HIS, Nonterminal, was not found in name map.) (Residue 175: LYS, Nonterminal, was not found in name map.) (Residue 176: PHE, Nonterminal, was not found in name map.) (Residue 177: THR, Nonterminal, was not found in name map.) (Residue 178: TRP, Nonterminal, was not found in name map.) (Residue 179: LYS, Nonterminal, was not found in name map.) (Residue 180: GLN, Nonterminal, was not found in name map.) (Residue 181: LYS, Nonterminal, was not found in name map.) (Residue 182: TYR, Nonterminal, was not found in name map.) (Residue 183: TYR, Nonterminal, was not found in name map.) (Residue 184: LYS, Nonterminal, was not found in name map.) (Residue 185: GLY, Nonterminal, was not found in name map.) (Residue 186: LEU, Nonterminal, was not found in name map.) (Residue 187: GLY, Nonterminal, was not found in name map.) (Residue 188: THR, Nonterminal, was not found in name map.) (Residue 189: SER, Nonterminal, was not found in name map.) (Residue 190: LEU, Nonterminal, was not found in name map.) (Residue 191: ALA, Nonterminal, was not found in name map.) (Residue 192: GLN, Nonterminal, was not found in name map.) (Residue 193: GLU, Nonterminal, was not found in name map.) (Residue 194: VAL, Nonterminal, was not found in name map.) (Residue 195: ARG, Nonterminal, was not found in name map.) (Residue 196: GLU, Nonterminal, was not found in name map.) (Residue 197: TYR, Nonterminal, was not found in name map.) (Residue 198: PHE, Nonterminal, was not found in name map.) (Residue 199: SER, Nonterminal, was not found in name map.) (Residue 200: ASN, Nonterminal, was not found in name map.) (Residue 201: LEU, Nonterminal, was not found in name map.) (Residue 202: ASP, Nonterminal, was not found in name map.) (Residue 203: ARG, Nonterminal, was not found in name map.) (Residue 204: HIS, Nonterminal, was not found in name map.) (Residue 205: LEU, Nonterminal, was not found in name map.) (Residue 206: LYS, Nonterminal, was not found in name map.) (Residue 207: ILE, Nonterminal, was not found in name map.) (Residue 208: PHE, Nonterminal, was not found in name map.) (Residue 209: HIS, Nonterminal, was not found in name map.) (Residue 210: SER, Nonterminal, was not found in name map.) (Residue 211: LEU, Nonterminal, was not found in name map.) (Residue 212: GLN, Nonterminal, was not found in name map.) (Residue 213: GLY, Nonterminal, was not found in name map.) (Residue 214: LEU, Nonterminal, was not found in name map.) (Residue 215: PHE, Nonterminal, was not found in name map.) (Residue 216: SER, Nonterminal, was not found in name map.) (Residue 217: LEU, Nonterminal, was not found in name map.) (Residue 218: ALA, Nonterminal, was not found in name map.) (Residue 219: ASP, Nonterminal, was not found in name map.) (Residue 220: ASN, Nonterminal, was not found in name map.) (Residue 221: ILE, Nonterminal, was not found in name map.) (Residue 222: ARG, Nonterminal, was not found in name map.) (Residue 223: SER, Nonterminal, was not found in name map.) (Residue 224: ILE, Nonterminal, was not found in name map.) (Residue 225: PRO, Nonterminal, was not found in name map.) (Residue 226: ASN, Nonterminal, was not found in name map.) (Residue 227: VAL, Nonterminal, was not found in name map.) (Residue 228: LEU, Nonterminal, was not found in name map.) (Residue 229: ASP, Nonterminal, was not found in name map.) (Residue 230: GLY, Nonterminal, was not found in name map.) (Residue 231: PHE, Nonterminal, was not found in name map.) (Residue 232: LYS, Nonterminal, was not found in name map.) (Residue 233: PRO, Nonterminal, was not found in name map.) (Residue 234: GLY, Nonterminal, was not found in name map.) (Residue 235: GLN, Nonterminal, was not found in name map.) (Residue 236: ARG, Nonterminal, was not found in name map.) (Residue 237: LYS, Nonterminal, was not found in name map.) (Residue 238: VAL, Nonterminal, was not found in name map.) (Residue 239: LEU, Nonterminal, was not found in name map.) (Residue 240: TYR, Nonterminal, was not found in name map.) (Residue 241: GLY, Nonterminal, was not found in name map.) (Residue 242: CYS, Nonterminal, was not found in name map.) (Residue 243: PHE, Nonterminal, was not found in name map.) (Residue 244: LYS, Nonterminal, was not found in name map.) (Residue 245: LYS, Nonterminal, was not found in name map.) (Residue 246: ASN, Nonterminal, was not found in name map.) (Residue 247: LEU, Nonterminal, was not found in name map.) (Residue 248: LYS, Nonterminal, was not found in name map.) (Residue 249: SER, Nonterminal, was not found in name map.) (Residue 250: GLU, Nonterminal, was not found in name map.) (Residue 251: LEU, Nonterminal, was not found in name map.) (Residue 252: LYS, Nonterminal, was not found in name map.) (Residue 253: VAL, Nonterminal, was not found in name map.) (Residue 254: ALA, Nonterminal, was not found in name map.) (Residue 255: GLN, Nonterminal, was not found in name map.) (Residue 256: LEU, Nonterminal, was not found in name map.) (Residue 257: ALA, Nonterminal, was not found in name map.) (Residue 258: PRO, Nonterminal, was not found in name map.) (Residue 259: TYR, Nonterminal, was not found in name map.) (Residue 260: VAL, Nonterminal, was not found in name map.) (Residue 261: SER, Nonterminal, was not found in name map.) (Residue 262: GLU, Nonterminal, was not found in name map.) (Residue 263: CYS, Nonterminal, was not found in name map.) (Residue 264: THR, Nonterminal, was not found in name map.) (Residue 265: ALA, Nonterminal, was not found in name map.) (Residue 266: TYR, Nonterminal, was not found in name map.) (Residue 267: HIS, Nonterminal, was not found in name map.) (Residue 268: HIS, Nonterminal, was not found in name map.) (Residue 269: GLY, Nonterminal, was not found in name map.) (Residue 270: GLU, Nonterminal, was not found in name map.) (Residue 271: GLN, Nonterminal, was not found in name map.) (Residue 272: SER, Nonterminal, was not found in name map.) (Residue 273: LEU, Nonterminal, was not found in name map.) (Residue 274: ALA, Nonterminal, was not found in name map.) (Residue 275: GLN, Nonterminal, was not found in name map.) (Residue 276: THR, Nonterminal, was not found in name map.) (Residue 277: ILE, Nonterminal, was not found in name map.) (Residue 278: ILE, Nonterminal, was not found in name map.) (Residue 279: GLY, Nonterminal, was not found in name map.) (Residue 280: LEU, Nonterminal, was not found in name map.) (Residue 281: ALA, Nonterminal, was not found in name map.) (Residue 282: GLN, Nonterminal, was not found in name map.) (Residue 283: ASN, Nonterminal, was not found in name map.) (Residue 284: PHE, Nonterminal, was not found in name map.) (Residue 285: VAL, Nonterminal, was not found in name map.) (Residue 286: GLY, Nonterminal, was not found in name map.) (Residue 287: SER, Nonterminal, was not found in name map.) (Residue 288: ASN, Nonterminal, was not found in name map.) (Residue 289: ASN, Nonterminal, was not found in name map.) (Residue 290: ILE, Nonterminal, was not found in name map.) (Residue 291: TYR, Nonterminal, was not found in name map.) (Residue 292: LEU, Nonterminal, was not found in name map.) (Residue 293: LEU, Nonterminal, was not found in name map.) (Residue 294: LEU, Nonterminal, was not found in name map.) (Residue 295: PRO, Nonterminal, was not found in name map.) (Residue 296: ASN, Nonterminal, was not found in name map.) (Residue 297: GLY, Nonterminal, was not found in name map.) (Residue 298: ALA, Nonterminal, was not found in name map.) (Residue 299: PHE, Nonterminal, was not found in name map.) (Residue 300: GLY, Nonterminal, was not found in name map.) (Residue 301: THR, Nonterminal, was not found in name map.) (Residue 302: ARG, Nonterminal, was not found in name map.) (Residue 303: ALA, Nonterminal, was not found in name map.) (Residue 304: THR, Nonterminal, was not found in name map.) (Residue 305: GLY, Nonterminal, was not found in name map.) (Residue 306: GLY, Nonterminal, was not found in name map.) (Residue 307: LYS, Nonterminal, was not found in name map.) (Residue 308: ASP, Nonterminal, was not found in name map.) (Residue 309: ALA, Nonterminal, was not found in name map.) (Residue 310: ALA, Nonterminal, was not found in name map.) (Residue 311: ALA, Nonterminal, was not found in name map.) (Residue 312: ALA, Nonterminal, was not found in name map.) (Residue 313: ARG, Nonterminal, was not found in name map.) (Residue 314: TYR, Nonterminal, was not found in name map.) (Residue 315: ILE, Nonterminal, was not found in name map.) (Residue 316: TYR, Nonterminal, was not found in name map.) (Residue 317: THR, Nonterminal, was not found in name map.) (Residue 318: GLU, Nonterminal, was not found in name map.) (Residue 319: LEU, Nonterminal, was not found in name map.) (Residue 320: ASN, Nonterminal, was not found in name map.) (Residue 321: LYS, Nonterminal, was not found in name map.) (Residue 322: LEU, Nonterminal, was not found in name map.) (Residue 323: THR, Nonterminal, was not found in name map.) (Residue 324: ARG, Nonterminal, was not found in name map.) (Residue 325: LYS, Nonterminal, was not found in name map.) (Residue 326: ILE, Nonterminal, was not found in name map.) (Residue 327: PHE, Nonterminal, was not found in name map.) (Residue 328: HIS, Nonterminal, was not found in name map.) (Residue 329: PRO, Nonterminal, was not found in name map.) (Residue 330: ALA, Nonterminal, was not found in name map.) (Residue 331: ASP, Nonterminal, was not found in name map.) (Residue 332: ASP, Nonterminal, was not found in name map.) (Residue 333: PRO, Nonterminal, was not found in name map.) (Residue 334: LEU, Nonterminal, was not found in name map.) (Residue 335: TYR, Nonterminal, was not found in name map.) (Residue 336: LYS, Nonterminal, was not found in name map.) (Residue 337: TYR, Nonterminal, was not found in name map.) (Residue 338: ILE, Nonterminal, was not found in name map.) (Residue 339: GLN, Nonterminal, was not found in name map.) (Residue 340: GLU, Nonterminal, was not found in name map.) (Residue 341: ASP, Nonterminal, was not found in name map.) (Residue 342: GLU, Nonterminal, was not found in name map.) (Residue 343: LYS, Nonterminal, was not found in name map.) (Residue 344: THR, Nonterminal, was not found in name map.) (Residue 345: VAL, Nonterminal, was not found in name map.) (Residue 346: GLU, Nonterminal, was not found in name map.) (Residue 347: PRO, Nonterminal, was not found in name map.) (Residue 348: GLU, Nonterminal, was not found in name map.) (Residue 349: TRP, Nonterminal, was not found in name map.) (Residue 350: TYR, Nonterminal, was not found in name map.) (Residue 351: LEU, Nonterminal, was not found in name map.) (Residue 352: PRO, Nonterminal, was not found in name map.) (Residue 353: ILE, Nonterminal, was not found in name map.) (Residue 354: LEU, Nonterminal, was not found in name map.) (Residue 355: PRO, Nonterminal, was not found in name map.) (Residue 356: MET, Nonterminal, was not found in name map.) (Residue 357: ILE, Nonterminal, was not found in name map.) (Residue 358: LEU, Nonterminal, was not found in name map.) (Residue 359: VAL, Nonterminal, was not found in name map.) (Residue 360: ASN, Nonterminal, was not found in name map.) (Residue 361: GLY, Nonterminal, was not found in name map.) (Residue 362: ALA, Nonterminal, was not found in name map.) (Residue 363: GLU, Nonterminal, was not found in name map.) (Residue 364: GLY, Nonterminal, was not found in name map.) (Residue 365: ILE, Nonterminal, was not found in name map.) (Residue 366: GLY, Nonterminal, was not found in name map.) (Residue 367: THR, Nonterminal, was not found in name map.) (Residue 368: GLY, Nonterminal, was not found in name map.) (Residue 369: TRP, Nonterminal, was not found in name map.) (Residue 370: SER, Nonterminal, was not found in name map.) (Residue 371: THR, Nonterminal, was not found in name map.) (Residue 372: TYR, Nonterminal, was not found in name map.) (Residue 373: ILE, Nonterminal, was not found in name map.) (Residue 374: PRO, Nonterminal, was not found in name map.) (Residue 375: PRO, Nonterminal, was not found in name map.) (Residue 376: PHE, Nonterminal, was not found in name map.) (Residue 377: ASN, Nonterminal, was not found in name map.) (Residue 378: PRO, Nonterminal, was not found in name map.) (Residue 379: LEU, Nonterminal, was not found in name map.) (Residue 380: GLU, Nonterminal, was not found in name map.) (Residue 381: ILE, Nonterminal, was not found in name map.) (Residue 382: ILE, Nonterminal, was not found in name map.) (Residue 383: LYS, Nonterminal, was not found in name map.) (Residue 384: ASN, Nonterminal, was not found in name map.) (Residue 385: ILE, Nonterminal, was not found in name map.) (Residue 386: ARG, Nonterminal, was not found in name map.) (Residue 387: HIP, Nonterminal, was not found in name map.) (Residue 388: LEU, Nonterminal, was not found in name map.) (Residue 389: MET, Nonterminal, was not found in name map.) (Residue 390: ASN, Nonterminal, was not found in name map.) (Residue 391: ASP, Nonterminal, was not found in name map.) (Residue 392: GLU, Nonterminal, was not found in name map.) (Residue 393: GLU, Nonterminal, was not found in name map.) (Residue 394: LEU, Nonterminal, was not found in name map.) (Residue 395: GLU, Nonterminal, was not found in name map.) (Residue 396: GLN, Nonterminal, was not found in name map.) (Residue 397: MET, Nonterminal, was not found in name map.) (Residue 398: HIE, Nonterminal, was not found in name map.) (Residue 399: PRO, Nonterminal, was not found in name map.) (Residue 400: TRP, Nonterminal, was not found in name map.) (Residue 401: PHE, Nonterminal, was not found in name map.) (Residue 402: ARG, Nonterminal, was not found in name map.) (Residue 403: GLY, Nonterminal, was not found in name map.) (Residue 404: TRP, Nonterminal, was not found in name map.) (Residue 405: THR, Nonterminal, was not found in name map.) (Residue 406: GLY, Nonterminal, was not found in name map.) (Residue 407: THR, Nonterminal, was not found in name map.) (Residue 408: ILE, Nonterminal, was not found in name map.) (Residue 409: GLU, Nonterminal, was not found in name map.) (Residue 410: GLU, Nonterminal, was not found in name map.) (Residue 411: ILE, Nonterminal, was not found in name map.) (Residue 412: GLU, Nonterminal, was not found in name map.) (Residue 413: PRO, Nonterminal, was not found in name map.) (Residue 414: LEU, Nonterminal, was not found in name map.) (Residue 415: ARG, Nonterminal, was not found in name map.) (Residue 416: TYR, Nonterminal, was not found in name map.) (Residue 417: ARG, Nonterminal, was not found in name map.) (Residue 418: MET, Nonterminal, was not found in name map.) (Residue 419: TYR, Nonterminal, was not found in name map.) (Residue 420: GLY, Nonterminal, was not found in name map.) (Residue 421: ARG, Nonterminal, was not found in name map.) (Residue 422: ILE, Nonterminal, was not found in name map.) (Residue 423: GLU, Nonterminal, was not found in name map.) (Residue 424: GLN, Nonterminal, was not found in name map.) (Residue 425: ILE, Nonterminal, was not found in name map.) (Residue 426: GLY, Nonterminal, was not found in name map.) (Residue 427: ASP, Nonterminal, was not found in name map.) (Residue 428: ASN, Nonterminal, was not found in name map.) (Residue 429: VAL, Nonterminal, was not found in name map.) (Residue 430: LEU, Nonterminal, was not found in name map.) (Residue 431: GLU, Nonterminal, was not found in name map.) (Residue 432: ILE, Nonterminal, was not found in name map.) (Residue 433: THR, Nonterminal, was not found in name map.) (Residue 434: GLU, Nonterminal, was not found in name map.) (Residue 435: LEU, Nonterminal, was not found in name map.) (Residue 436: PRO, Nonterminal, was not found in name map.) (Residue 437: ALA, Nonterminal, was not found in name map.) (Residue 438: ARG, Nonterminal, was not found in name map.) (Residue 439: THR, Nonterminal, was not found in name map.) (Residue 440: TRP, Nonterminal, was not found in name map.) (Residue 441: THR, Nonterminal, was not found in name map.) (Residue 442: SER, Nonterminal, was not found in name map.) (Residue 443: THR, Nonterminal, was not found in name map.) (Residue 444: ILE, Nonterminal, was not found in name map.) (Residue 445: LYS, Nonterminal, was not found in name map.) (Residue 446: GLU, Nonterminal, was not found in name map.) (Residue 447: TYR, Nonterminal, was not found in name map.) (Residue 448: LEU, Nonterminal, was not found in name map.) (Residue 449: LEU, Nonterminal, was not found in name map.) (Residue 450: LEU, Nonterminal, was not found in name map.) (Residue 451: GLY, Nonterminal, was not found in name map.) (Residue 452: LEU, Nonterminal, was not found in name map.) (Residue 453: SER, Nonterminal, was not found in name map.) (Residue 454: GLY, Nonterminal, was not found in name map.) (Residue 455: ASN, Nonterminal, was not found in name map.) (Residue 456: ASP, Nonterminal, was not found in name map.) (Residue 457: LYS, Nonterminal, was not found in name map.) (Residue 458: ILE, Nonterminal, was not found in name map.) (Residue 459: LYS, Nonterminal, was not found in name map.) (Residue 460: PRO, Nonterminal, was not found in name map.) (Residue 461: TRP, Nonterminal, was not found in name map.) (Residue 462: ILE, Nonterminal, was not found in name map.) (Residue 463: LYS, Nonterminal, was not found in name map.) (Residue 464: ASP, Nonterminal, was not found in name map.) (Residue 465: MET, Nonterminal, was not found in name map.) (Residue 466: GLU, Nonterminal, was not found in name map.) (Residue 467: GLU, Nonterminal, was not found in name map.) (Residue 468: GLN, Nonterminal, was not found in name map.) (Residue 469: HIS, Nonterminal, was not found in name map.) (Residue 470: ASP, Nonterminal, was not found in name map.) (Residue 471: ASP, Nonterminal, was not found in name map.) (Residue 472: ASN, Nonterminal, was not found in name map.) (Residue 473: ILE, Nonterminal, was not found in name map.) (Residue 474: LYS, Nonterminal, was not found in name map.) (Residue 475: PHE, Nonterminal, was not found in name map.) (Residue 476: ILE, Nonterminal, was not found in name map.) (Residue 477: ILE, Nonterminal, was not found in name map.) (Residue 478: THR, Nonterminal, was not found in name map.) (Residue 479: LEU, Nonterminal, was not found in name map.) (Residue 480: SER, Nonterminal, was not found in name map.) (Residue 481: PRO, Nonterminal, was not found in name map.) (Residue 482: GLU, Nonterminal, was not found in name map.) (Residue 483: GLU, Nonterminal, was not found in name map.) (Residue 484: MET, Nonterminal, was not found in name map.) (Residue 485: ALA, Nonterminal, was not found in name map.) (Residue 486: LYS, Nonterminal, was not found in name map.) (Residue 487: THR, Nonterminal, was not found in name map.) (Residue 488: ARG, Nonterminal, was not found in name map.) (Residue 489: LYS, Nonterminal, was not found in name map.) (Residue 490: ILE, Nonterminal, was not found in name map.) (Residue 491: GLY, Nonterminal, was not found in name map.) (Residue 492: PHE, Nonterminal, was not found in name map.) (Residue 493: TYR, Nonterminal, was not found in name map.) (Residue 494: GLU, Nonterminal, was not found in name map.) (Residue 495: ARG, Nonterminal, was not found in name map.) (Residue 496: PHE, Nonterminal, was not found in name map.) (Residue 497: LYS, Nonterminal, was not found in name map.) (Residue 498: LEU, Nonterminal, was not found in name map.) (Residue 499: ILE, Nonterminal, was not found in name map.) (Residue 500: SER, Nonterminal, was not found in name map.) (Residue 501: PRO, Nonterminal, was not found in name map.) (Residue 502: ILE, Nonterminal, was not found in name map.) (Residue 503: SER, Nonterminal, was not found in name map.) (Residue 504: LEU, Nonterminal, was not found in name map.) (Residue 505: MET, Nonterminal, was not found in name map.) (Residue 506: ASN, Nonterminal, was not found in name map.) (Residue 507: MET, Nonterminal, was not found in name map.) (Residue 508: VAL, Nonterminal, was not found in name map.) (Residue 509: ALA, Nonterminal, was not found in name map.) (Residue 510: PHE, Nonterminal, was not found in name map.) (Residue 511: ASP, Nonterminal, was not found in name map.) (Residue 512: PRO, Nonterminal, was not found in name map.) (Residue 513: HIS, Nonterminal, was not found in name map.) (Residue 514: GLY, Nonterminal, was not found in name map.) (Residue 515: LYS, Nonterminal, was not found in name map.) (Residue 516: ILE, Nonterminal, was not found in name map.) (Residue 517: LYS, Nonterminal, was not found in name map.) (Residue 518: LYS, Nonterminal, was not found in name map.) (Residue 519: TYR, Nonterminal, was not found in name map.) (Residue 520: ASN, Nonterminal, was not found in name map.) (Residue 521: SER, Nonterminal, was not found in name map.) (Residue 522: VAL, Nonterminal, was not found in name map.) (Residue 523: ASN, Nonterminal, was not found in name map.) (Residue 524: GLU, Nonterminal, was not found in name map.) (Residue 525: ILE, Nonterminal, was not found in name map.) (Residue 526: LEU, Nonterminal, was not found in name map.) (Residue 527: SER, Nonterminal, was not found in name map.) (Residue 528: GLU, Nonterminal, was not found in name map.) (Residue 529: PHE, Nonterminal, was not found in name map.) (Residue 530: TYR, Nonterminal, was not found in name map.) (Residue 531: TYR, Nonterminal, was not found in name map.) (Residue 532: VAL, Nonterminal, was not found in name map.) (Residue 533: ARG, Nonterminal, was not found in name map.) (Residue 534: LEU, Nonterminal, was not found in name map.) (Residue 535: GLU, Nonterminal, was not found in name map.) (Residue 536: TYR, Nonterminal, was not found in name map.) (Residue 537: TYR, Nonterminal, was not found in name map.) (Residue 538: GLN, Nonterminal, was not found in name map.) (Residue 539: LYS, Nonterminal, was not found in name map.) (Residue 540: ARG, Nonterminal, was not found in name map.) (Residue 541: LYS, Nonterminal, was not found in name map.) (Residue 542: ASP, Nonterminal, was not found in name map.) (Residue 543: HIS, Nonterminal, was not found in name map.) (Residue 544: MET, Nonterminal, was not found in name map.) (Residue 545: SER, Nonterminal, was not found in name map.) (Residue 546: GLU, Nonterminal, was not found in name map.) (Residue 547: ARG, Nonterminal, was not found in name map.) (Residue 548: LEU, Nonterminal, was not found in name map.) (Residue 549: GLN, Nonterminal, was not found in name map.) (Residue 550: TRP, Nonterminal, was not found in name map.) (Residue 551: GLU, Nonterminal, was not found in name map.) (Residue 552: VAL, Nonterminal, was not found in name map.) (Residue 553: GLU, Nonterminal, was not found in name map.) (Residue 554: LYS, Nonterminal, was not found in name map.) (Residue 555: TYR, Nonterminal, was not found in name map.) (Residue 556: SER, Nonterminal, was not found in name map.) (Residue 557: PHE, Nonterminal, was not found in name map.) (Residue 558: GLN, Nonterminal, was not found in name map.) (Residue 559: VAL, Nonterminal, was not found in name map.) (Residue 560: LYS, Nonterminal, was not found in name map.) (Residue 561: PHE, Nonterminal, was not found in name map.) (Residue 562: ILE, Nonterminal, was not found in name map.) (Residue 563: LYS, Nonterminal, was not found in name map.) (Residue 564: MET, Nonterminal, was not found in name map.) (Residue 565: ILE, Nonterminal, was not found in name map.) (Residue 566: ILE, Nonterminal, was not found in name map.) (Residue 567: GLU, Nonterminal, was not found in name map.) (Residue 568: LYS, Nonterminal, was not found in name map.) (Residue 569: GLU, Nonterminal, was not found in name map.) (Residue 570: LEU, Nonterminal, was not found in name map.) (Residue 571: THR, Nonterminal, was not found in name map.) (Residue 572: VAL, Nonterminal, was not found in name map.) (Residue 573: THR, Nonterminal, was not found in name map.) (Residue 574: ASN, Nonterminal, was not found in name map.) (Residue 575: LYS, Nonterminal, was not found in name map.) (Residue 576: PRO, Nonterminal, was not found in name map.) (Residue 577: ARG, Nonterminal, was not found in name map.) (Residue 578: ASN, Nonterminal, was not found in name map.) (Residue 579: ALA, Nonterminal, was not found in name map.) (Residue 580: ILE, Nonterminal, was not found in name map.) (Residue 581: ILE, Nonterminal, was not found in name map.) (Residue 582: GLN, Nonterminal, was not found in name map.) (Residue 583: GLU, Nonterminal, was not found in name map.) (Residue 584: LEU, Nonterminal, was not found in name map.) (Residue 585: GLU, Nonterminal, was not found in name map.) (Residue 586: ASN, Nonterminal, was not found in name map.) (Residue 587: LEU, Nonterminal, was not found in name map.) (Residue 588: GLY, Nonterminal, was not found in name map.) (Residue 589: PHE, Nonterminal, was not found in name map.) (Residue 590: PRO, Nonterminal, was not found in name map.) (Residue 591: ARG, Nonterminal, was not found in name map.) (Residue 592: PHE, Nonterminal, was not found in name map.) (Residue 593: ASN, Nonterminal, was not found in name map.) (Residue 594: LYS, Nonterminal, was not found in name map.) (Residue 595: GLU, Nonterminal, was not found in name map.) (Residue 596: GLY, Nonterminal, was not found in name map.) (Residue 597: LYS, Nonterminal, was not found in name map.) (Residue 598: PRO, Nonterminal, was not found in name map.) (Residue 599: TYR, Nonterminal, was not found in name map.) (Residue 600: TYR, Nonterminal, was not found in name map.) (Residue 601: GLY, Nonterminal, was not found in name map.) (Residue 602: SER, Nonterminal, was not found in name map.) (Residue 603: PRO, Nonterminal, was not found in name map.) (Residue 604: ASN, Nonterminal, was not found in name map.) (Residue 605: ASP, Nonterminal, was not found in name map.) (Residue 606: GLU, Nonterminal, was not found in name map.) (Residue 607: ILE, Nonterminal, was not found in name map.) (Residue 608: ALA, Nonterminal, was not found in name map.) (Residue 609: GLU, Nonterminal, was not found in name map.) (Residue 610: GLU, Nonterminal, was not found in name map.) (Residue 611: LEU, Nonterminal, was not found in name map.) (Residue 612: TYR, Nonterminal, was not found in name map.) (Residue 613: GLY, Nonterminal, was not found in name map.) (Residue 614: THR, Nonterminal, was not found in name map.) (Residue 615: TYR, Nonterminal, was not found in name map.) (Residue 616: GLU, Nonterminal, was not found in name map.) (Residue 617: TYR, Nonterminal, was not found in name map.) (Residue 618: LEU, Nonterminal, was not found in name map.) (Residue 619: LEU, Nonterminal, was not found in name map.) (Residue 620: GLY, Nonterminal, was not found in name map.) (Residue 621: MET, Nonterminal, was not found in name map.) (Residue 622: ARG, Nonterminal, was not found in name map.) (Residue 623: ILE, Nonterminal, was not found in name map.) (Residue 624: TRP, Nonterminal, was not found in name map.) (Residue 625: SER, Nonterminal, was not found in name map.) (Residue 626: LEU, Nonterminal, was not found in name map.) (Residue 627: THR, Nonterminal, was not found in name map.) (Residue 628: LYS, Nonterminal, was not found in name map.) (Residue 629: GLU, Nonterminal, was not found in name map.) (Residue 630: ARG, Nonterminal, was not found in name map.) (Residue 631: TYR, Nonterminal, was not found in name map.) (Residue 632: GLN, Nonterminal, was not found in name map.) (Residue 633: LYS, Nonterminal, was not found in name map.) (Residue 634: LEU, Nonterminal, was not found in name map.) (Residue 635: LEU, Nonterminal, was not found in name map.) (Residue 636: LYS, Nonterminal, was not found in name map.) (Residue 637: GLN, Nonterminal, was not found in name map.) (Residue 638: LYS, Nonterminal, was not found in name map.) (Residue 639: GLN, Nonterminal, was not found in name map.) (Residue 640: GLU, Nonterminal, was not found in name map.) (Residue 641: LYS, Nonterminal, was not found in name map.) (Residue 642: GLU, Nonterminal, was not found in name map.) (Residue 643: THR, Nonterminal, was not found in name map.) (Residue 644: GLU, Nonterminal, was not found in name map.) (Residue 645: LEU, Nonterminal, was not found in name map.) (Residue 646: GLU, Nonterminal, was not found in name map.) (Residue 647: ASN, Nonterminal, was not found in name map.) (Residue 648: LEU, Nonterminal, was not found in name map.) (Residue 649: LEU, Nonterminal, was not found in name map.) (Residue 650: LYS, Nonterminal, was not found in name map.) (Residue 651: LEU, Nonterminal, was not found in name map.) (Residue 652: SER, Nonterminal, was not found in name map.) (Residue 653: ALA, Nonterminal, was not found in name map.) (Residue 654: LYS, Nonterminal, was not found in name map.) (Residue 655: ASP, Nonterminal, was not found in name map.) (Residue 656: ILE, Nonterminal, was not found in name map.) (Residue 657: TRP, Nonterminal, was not found in name map.) (Residue 658: ASN, Nonterminal, was not found in name map.) (Residue 659: THR, Nonterminal, was not found in name map.) (Residue 660: ASP, Nonterminal, was not found in name map.) (Residue 661: LEU, Nonterminal, was not found in name map.) (Residue 662: LYS, Nonterminal, was not found in name map.) (Residue 663: ALA, Nonterminal, was not found in name map.) (Residue 664: PHE, Nonterminal, was not found in name map.) (Residue 665: GLU, Nonterminal, was not found in name map.) (Residue 666: VAL, Nonterminal, was not found in name map.) (Residue 667: GLY, Nonterminal, was not found in name map.) (Residue 668: TYR, Nonterminal, was not found in name map.) (Residue 669: GLN, Nonterminal, was not found in name map.) (Residue 670: GLU, Nonterminal, was not found in name map.) (Residue 671: PHE, Nonterminal, was not found in name map.) (Residue 672: LEU, Nonterminal, was not found in name map.) (Residue 673: GLN, Nonterminal, was not found in name map.) (Residue 674: ARG, Nonterminal, was not found in name map.) (Residue 675: ASP, Nonterminal, was not found in name map.) (Residue 676: ALA, Nonterminal, was not found in name map.) (Residue 677: GLU, Nonterminal, was not found in name map.) (Residue 678: ALA, Nonterminal, was not found in name map.) Mapped residue ARG, term: Terminal/last, seq. number: 679 to: CARG. Joining NARG - LYS Joining LYS - SER Joining SER - ARG Joining ARG - ILE Joining ILE - THR Joining THR - ASN Joining ASN - TYR Joining TYR - PRO Joining PRO - LYS Joining LYS - LEU Joining LEU - GLU Joining GLU - ASP Joining ASP - ALA Joining ALA - ASN Joining ASN - LYS Joining LYS - ALA Joining ALA - GLY Joining GLY - THR Joining THR - LYS Joining LYS - GLU Joining GLU - GLY Joining GLY - TYR Joining TYR - LYS Joining LYS - CYS Joining CYS - THR Joining THR - LEU Joining LEU - VAL Joining VAL - LEU Joining LEU - THR Joining THR - GLU Joining GLU - GLY Joining GLY - ASP Joining ASP - SER Joining SER - ALA Joining ALA - LEU Joining LEU - SER Joining SER - LEU Joining LEU - ALA Joining ALA - VAL Joining VAL - ALA Joining ALA - GLY Joining GLY - LEU Joining LEU - ALA Joining ALA - VAL Joining VAL - VAL Joining VAL - GLY Joining GLY - ARG Joining ARG - ASP Joining ASP - TYR Joining TYR - TYR Joining TYR - GLY Joining GLY - CYS Joining CYS - TYR Joining TYR - PRO Joining PRO - LEU Joining LEU - ARG Joining ARG - GLY Joining GLY - LYS Joining LYS - MET Joining MET - LEU Joining LEU - ASN Joining ASN - VAL Joining VAL - ARG Joining ARG - GLU Joining GLU - ALA Joining ALA - SER Joining SER - ALA Joining ALA - ASP Joining ASP - GLN Joining GLN - ILE Joining ILE - LEU Joining LEU - LYS Joining LYS - ASN Joining ASN - ALA Joining ALA - GLU Joining GLU - ILE Joining ILE - GLN Joining GLN - ALA Joining ALA - ILE Joining ILE - LYS Joining LYS - LYS Joining LYS - ILE Joining ILE - MET Joining MET - GLY Joining GLY - LEU Joining LEU - GLN Joining GLN - HIE Joining HIE - ARG Joining ARG - LYS Joining LYS - LYS Joining LYS - TYR Joining TYR - GLU Joining GLU - ASP Joining ASP - THR Joining THR - LYS Joining LYS - SER Joining SER - LEU Joining LEU - ARG Joining ARG - TYR Joining TYR - GLY Joining GLY - HID Joining HID - LEU Joining LEU - MET Joining MET - ILE Joining ILE - MET Joining MET - THR Joining THR - ASP Joining ASP - GLN Joining GLN - ASP Joining ASP - HIE Joining HIE - ASP Joining ASP - GLY Joining GLY - SER Joining SER - HIE Joining HIE - ILE Joining ILE - LYS Joining LYS - GLY Joining GLY - LEU Joining LEU - ILE Joining ILE - ILE Joining ILE - ASN Joining ASN - PHE Joining PHE - LEU Joining LEU - GLU Joining GLU - SER Joining SER - SER Joining SER - PHE Joining PHE - LEU Joining LEU - GLY Joining GLY - LEU Joining LEU - LEU Joining LEU - ASP Joining ASP - ILE Joining ILE - GLN Joining GLN - GLY Joining GLY - PHE Joining PHE - LEU Joining LEU - LEU Joining LEU - GLU Joining GLU - PHE Joining PHE - ILE Joining ILE - THR Joining THR - PRO Joining PRO - ILE Joining ILE - ILE Joining ILE - LYS Joining LYS - VAL Joining VAL - SER Joining SER - ILE Joining ILE - THR Joining THR - LYS Joining LYS - PRO Joining PRO - THR Joining THR - LYS Joining LYS - ASN Joining ASN - THR Joining THR - ILE Joining ILE - ALA Joining ALA - PHE Joining PHE - TYR Joining TYR - ASN Joining ASN - MET Joining MET - PRO Joining PRO - ASP Joining ASP - TYR Joining TYR - GLU Joining GLU - LYS Joining LYS - TRP Joining TRP - ARG Joining ARG - GLU Joining GLU - GLU Joining GLU - GLU Joining GLU - SER Joining SER - HIE Joining HIE - LYS Joining LYS - PHE Joining PHE - THR Joining THR - TRP Joining TRP - LYS Joining LYS - GLN Joining GLN - LYS Joining LYS - TYR Joining TYR - TYR Joining TYR - LYS Joining LYS - GLY Joining GLY - LEU Joining LEU - GLY Joining GLY - THR Joining THR - SER Joining SER - LEU Joining LEU - ALA Joining ALA - GLN Joining GLN - GLU Joining GLU - VAL Joining VAL - ARG Joining ARG - GLU Joining GLU - TYR Joining TYR - PHE Joining PHE - SER Joining SER - ASN Joining ASN - LEU Joining LEU - ASP Joining ASP - ARG Joining ARG - HIE Joining HIE - LEU Joining LEU - LYS Joining LYS - ILE Joining ILE - PHE Joining PHE - HIE Joining HIE - SER Joining SER - LEU Joining LEU - GLN Joining GLN - GLY Joining GLY - LEU Joining LEU - PHE Joining PHE - SER Joining SER - LEU Joining LEU - ALA Joining ALA - ASP Joining ASP - ASN Joining ASN - ILE Joining ILE - ARG Joining ARG - SER Joining SER - ILE Joining ILE - PRO Joining PRO - ASN Joining ASN - VAL Joining VAL - LEU Joining LEU - ASP Joining ASP - GLY Joining GLY - PHE Joining PHE - LYS Joining LYS - PRO Joining PRO - GLY Joining GLY - GLN Joining GLN - ARG Joining ARG - LYS Joining LYS - VAL Joining VAL - LEU Joining LEU - TYR Joining TYR - GLY Joining GLY - CYS Joining CYS - PHE Joining PHE - LYS Joining LYS - LYS Joining LYS - ASN Joining ASN - LEU Joining LEU - LYS Joining LYS - SER Joining SER - GLU Joining GLU - LEU Joining LEU - LYS Joining LYS - VAL Joining VAL - ALA Joining ALA - GLN Joining GLN - LEU Joining LEU - ALA Joining ALA - PRO Joining PRO - TYR Joining TYR - VAL Joining VAL - SER Joining SER - GLU Joining GLU - CYS Joining CYS - THR Joining THR - ALA Joining ALA - TYR Joining TYR - HIE Joining HIE - HIE Joining HIE - GLY Joining GLY - GLU Joining GLU - GLN Joining GLN - SER Joining SER - LEU Joining LEU - ALA Joining ALA - GLN Joining GLN - THR Joining THR - ILE Joining ILE - ILE Joining ILE - GLY Joining GLY - LEU Joining LEU - ALA Joining ALA - GLN Joining GLN - ASN Joining ASN - PHE Joining PHE - VAL Joining VAL - GLY Joining GLY - SER Joining SER - ASN Joining ASN - ASN Joining ASN - ILE Joining ILE - TYR Joining TYR - LEU Joining LEU - LEU Joining LEU - LEU Joining LEU - PRO Joining PRO - ASN Joining ASN - GLY Joining GLY - ALA Joining ALA - PHE Joining PHE - GLY Joining GLY - THR Joining THR - ARG Joining ARG - ALA Joining ALA - THR Joining THR - GLY Joining GLY - GLY Joining GLY - LYS Joining LYS - ASP Joining ASP - ALA Joining ALA - ALA Joining ALA - ALA Joining ALA - ALA Joining ALA - ARG Joining ARG - TYR Joining TYR - ILE Joining ILE - TYR Joining TYR - THR Joining THR - GLU Joining GLU - LEU Joining LEU - ASN Joining ASN - LYS Joining LYS - LEU Joining LEU - THR Joining THR - ARG Joining ARG - LYS Joining LYS - ILE Joining ILE - PHE Joining PHE - HIE Joining HIE - PRO Joining PRO - ALA Joining ALA - ASP Joining ASP - ASP Joining ASP - PRO Joining PRO - LEU Joining LEU - TYR Joining TYR - LYS Joining LYS - TYR Joining TYR - ILE Joining ILE - GLN Joining GLN - GLU Joining GLU - ASP Joining ASP - GLU Joining GLU - LYS Joining LYS - THR Joining THR - VAL Joining VAL - GLU Joining GLU - PRO Joining PRO - GLU Joining GLU - TRP Joining TRP - TYR Joining TYR - LEU Joining LEU - PRO Joining PRO - ILE Joining ILE - LEU Joining LEU - PRO Joining PRO - MET Joining MET - ILE Joining ILE - LEU Joining LEU - VAL Joining VAL - ASN Joining ASN - GLY Joining GLY - ALA Joining ALA - GLU Joining GLU - GLY Joining GLY - ILE Joining ILE - GLY Joining GLY - THR Joining THR - GLY Joining GLY - TRP Joining TRP - SER Joining SER - THR Joining THR - TYR Joining TYR - ILE Joining ILE - PRO Joining PRO - PRO Joining PRO - PHE Joining PHE - ASN Joining ASN - PRO Joining PRO - LEU Joining LEU - GLU Joining GLU - ILE Joining ILE - ILE Joining ILE - LYS Joining LYS - ASN Joining ASN - ILE Joining ILE - ARG Joining ARG - HIP Joining HIP - LEU Joining LEU - MET Joining MET - ASN Joining ASN - ASP Joining ASP - GLU Joining GLU - GLU Joining GLU - LEU Joining LEU - GLU Joining GLU - GLN Joining GLN - MET Joining MET - HIE Joining HIE - PRO Joining PRO - TRP Joining TRP - PHE Joining PHE - ARG Joining ARG - GLY Joining GLY - TRP Joining TRP - THR Joining THR - GLY Joining GLY - THR Joining THR - ILE Joining ILE - GLU Joining GLU - GLU Joining GLU - ILE Joining ILE - GLU Joining GLU - PRO Joining PRO - LEU Joining LEU - ARG Joining ARG - TYR Joining TYR - ARG Joining ARG - MET Joining MET - TYR Joining TYR - GLY Joining GLY - ARG Joining ARG - ILE Joining ILE - GLU Joining GLU - GLN Joining GLN - ILE Joining ILE - GLY Joining GLY - ASP Joining ASP - ASN Joining ASN - VAL Joining VAL - LEU Joining LEU - GLU Joining GLU - ILE Joining ILE - THR Joining THR - GLU Joining GLU - LEU Joining LEU - PRO Joining PRO - ALA Joining ALA - ARG Joining ARG - THR Joining THR - TRP Joining TRP - THR Joining THR - SER Joining SER - THR Joining THR - ILE Joining ILE - LYS Joining LYS - GLU Joining GLU - TYR Joining TYR - LEU Joining LEU - LEU Joining LEU - LEU Joining LEU - GLY Joining GLY - LEU Joining LEU - SER Joining SER - GLY Joining GLY - ASN Joining ASN - ASP Joining ASP - LYS Joining LYS - ILE Joining ILE - LYS Joining LYS - PRO Joining PRO - TRP Joining TRP - ILE Joining ILE - LYS Joining LYS - ASP Joining ASP - MET Joining MET - GLU Joining GLU - GLU Joining GLU - GLN Joining GLN - HIE Joining HIE - ASP Joining ASP - ASP Joining ASP - ASN Joining ASN - ILE Joining ILE - LYS Joining LYS - PHE Joining PHE - ILE Joining ILE - ILE Joining ILE - THR Joining THR - LEU Joining LEU - SER Joining SER - PRO Joining PRO - GLU Joining GLU - GLU Joining GLU - MET Joining MET - ALA Joining ALA - LYS Joining LYS - THR Joining THR - ARG Joining ARG - LYS Joining LYS - ILE Joining ILE - GLY Joining GLY - PHE Joining PHE - TYR Joining TYR - GLU Joining GLU - ARG Joining ARG - PHE Joining PHE - LYS Joining LYS - LEU Joining LEU - ILE Joining ILE - SER Joining SER - PRO Joining PRO - ILE Joining ILE - SER Joining SER - LEU Joining LEU - MET Joining MET - ASN Joining ASN - MET Joining MET - VAL Joining VAL - ALA Joining ALA - PHE Joining PHE - ASP Joining ASP - PRO Joining PRO - HIE Joining HIE - GLY Joining GLY - LYS Joining LYS - ILE Joining ILE - LYS Joining LYS - LYS Joining LYS - TYR Joining TYR - ASN Joining ASN - SER Joining SER - VAL Joining VAL - ASN Joining ASN - GLU Joining GLU - ILE Joining ILE - LEU Joining LEU - SER Joining SER - GLU Joining GLU - PHE Joining PHE - TYR Joining TYR - TYR Joining TYR - VAL Joining VAL - ARG Joining ARG - LEU Joining LEU - GLU Joining GLU - TYR Joining TYR - TYR Joining TYR - GLN Joining GLN - LYS Joining LYS - ARG Joining ARG - LYS Joining LYS - ASP Joining ASP - HIE Joining HIE - MET Joining MET - SER Joining SER - GLU Joining GLU - ARG Joining ARG - LEU Joining LEU - GLN Joining GLN - TRP Joining TRP - GLU Joining GLU - VAL Joining VAL - GLU Joining GLU - LYS Joining LYS - TYR Joining TYR - SER Joining SER - PHE Joining PHE - GLN Joining GLN - VAL Joining VAL - LYS Joining LYS - PHE Joining PHE - ILE Joining ILE - LYS Joining LYS - MET Joining MET - ILE Joining ILE - ILE Joining ILE - GLU Joining GLU - LYS Joining LYS - GLU Joining GLU - LEU Joining LEU - THR Joining THR - VAL Joining VAL - THR Joining THR - ASN Joining ASN - LYS Joining LYS - PRO Joining PRO - ARG Joining ARG - ASN Joining ASN - ALA Joining ALA - ILE Joining ILE - ILE Joining ILE - GLN Joining GLN - GLU Joining GLU - LEU Joining LEU - GLU Joining GLU - ASN Joining ASN - LEU Joining LEU - GLY Joining GLY - PHE Joining PHE - PRO Joining PRO - ARG Joining ARG - PHE Joining PHE - ASN Joining ASN - LYS Joining LYS - GLU Joining GLU - GLY Joining GLY - LYS Joining LYS - PRO Joining PRO - TYR Joining TYR - TYR Joining TYR - GLY Joining GLY - SER Added missing heavy atom: .R.A Joining SER - PRO Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining PRO - ASN Added missing heavy atom: .R.A Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining ASN - ASP Added missing heavy atom: .R.A Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining ASP - GLU Added missing heavy atom: .R.A Added missing heavy atom: .R.A Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining GLU - ILE Added missing heavy atom: .R.A Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining ILE - ALA Added missing heavy atom: .R.A Added missing heavy atom: .R.A Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining ALA - GLU Joining GLU - GLU Joining GLU - LEU Joining LEU - TYR Joining TYR - GLY Joining GLY - THR Joining THR - TYR Joining TYR - GLU Joining GLU - TYR Joining TYR - LEU Joining LEU - LEU Joining LEU - GLY Joining GLY - MET Joining MET - ARG Joining ARG - ILE Joining ILE - TRP Joining TRP - SER Joining SER - LEU Joining LEU - THR Joining THR - LYS Joining LYS - GLU Joining GLU - ARG Joining ARG - TYR Joining TYR - GLN Joining GLN - LYS Joining LYS - LEU Joining LEU - LEU Joining LEU - LYS Joining LYS - GLN Joining GLN - LYS Joining LYS - GLN Joining GLN - GLU Joining GLU - LYS Joining LYS - GLU Joining GLU - THR Joining THR - GLU Joining GLU - LEU Joining LEU - GLU Joining GLU - ASN Joining ASN - LEU Joining LEU - LEU Joining LEU - LYS Joining LYS - LEU Joining LEU - SER Joining SER - ALA Joining ALA - LYS Joining LYS - ASP Joining ASP - ILE Joining ILE - TRP Joining TRP - ASN Joining ASN - THR Joining THR - ASP Joining ASP - LEU Joining LEU - LYS Joining LYS - ALA Joining ALA - PHE Joining PHE - GLU Joining GLU - VAL Joining VAL - GLY Joining GLY - TYR Joining TYR - GLN Joining GLN - GLU Joining GLU - PHE Joining PHE - LEU Joining LEU - GLN Joining GLN - ARG Joining ARG - ASP Joining ASP - ALA Joining ALA - GLU Joining GLU - ALA Joining ALA - CARG Added missing heavy atom: .R.A total atoms in file: 5625 Leap added 5563 missing atoms according to residue templates: 21 Heavy 5454 H / lone pairs 88 unknown element > saveamberparm trx amber-724768-A-wild.pdb.top amber-724768-A-wild.pdb.crd Checking Unit. WARNING: There is a bond of 31.139494 angstroms between: ------- .R.A and .R.A WARNING: There is a bond of 5.376808 angstroms between: ------- .R.A and .R.A WARNING: There is a bond of 10.059096 angstroms between: ------- .R.A and .R.A WARNING: The unperturbed charge of the unit: 3.999999 is not zero. -- ignoring the warnings. Building topology. Building atom parameters. Building bond parameters. Building angle parameters. Building proper torsion parameters. Building improper torsion parameters. ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 total 2230 improper torsions applied Building H-Bond parameters. Not Marking per-residue atom chain types. Marking per-residue atom chain types. (Residues lacking connect0/connect1 - these don't have chain types marked: res total affected CARG 1 NARG 1 ) (no restraints) > quit Quit log started: Wed Apr 4 17:05:29 2012 Log file: ./leap.log >> # >> # ----- leaprc for loading the ff03 (Duan et al.) force field >> # >> # load atom type hybridizations >> # >> addAtomTypes { >> { "H" "H" "sp3" } >> { "HO" "H" "sp3" } >> { "HS" "H" "sp3" } >> { "H1" "H" "sp3" } >> { "H2" "H" "sp3" } >> { "H3" "H" "sp3" } >> { "H4" "H" "sp3" } >> { "H5" "H" "sp3" } >> { "HW" "H" "sp3" } >> { "HC" "H" "sp3" } >> { "HA" "H" "sp3" } >> { "HP" "H" "sp3" } >> { "OH" "O" "sp3" } >> { "OS" "O" "sp3" } >> { "O" "O" "sp2" } >> { "O2" "O" "sp2" } >> { "OW" "O" "sp3" } >> { "CT" "C" "sp3" } >> { "CH" "C" "sp3" } >> { "C2" "C" "sp3" } >> { "C3" "C" "sp3" } >> { "C" "C" "sp2" } >> { "C*" "C" "sp2" } >> { "CA" "C" "sp2" } >> { "CB" "C" "sp2" } >> { "CC" "C" "sp2" } >> { "CN" "C" "sp2" } >> { "CM" "C" "sp2" } >> { "CK" "C" "sp2" } >> { "CQ" "C" "sp2" } >> { "CD" "C" "sp2" } >> { "CE" "C" "sp2" } >> { "CF" "C" "sp2" } >> { "CP" "C" "sp2" } >> { "CI" "C" "sp2" } >> { "CJ" "C" "sp2" } >> { "CW" "C" "sp2" } >> { "CV" "C" "sp2" } >> { "CR" "C" "sp2" } >> { "CA" "C" "sp2" } >> { "CY" "C" "sp2" } >> { "C0" "C" "sp2" } >> { "MG" "Mg" "sp3" } >> { "N" "N" "sp2" } >> { "NA" "N" "sp2" } >> { "N2" "N" "sp2" } >> { "N*" "N" "sp2" } >> { "NP" "N" "sp2" } >> { "NQ" "N" "sp2" } >> { "NB" "N" "sp2" } >> { "NC" "N" "sp2" } >> { "NT" "N" "sp3" } >> { "N3" "N" "sp3" } >> { "S" "S" "sp3" } >> { "SH" "S" "sp3" } >> { "P" "P" "sp3" } >> { "LP" "" "sp3" } >> { "F" "F" "sp3" } >> { "CL" "Cl" "sp3" } >> { "BR" "Br" "sp3" } >> { "I" "I" "sp3" } >> { "FE" "Fe" "sp3" } >> # things should be there >> { "IM" "Cl" "sp3" } >> { "IP" "Na" "sp3" } >> { "Li" "Li" "sp3" } >> { "K" "K" "sp3" } >> { "Rb" "Rb" "sp3" } >> { "Cs" "Cs" "sp3" } >> { "Zn" "Zn" "sp3" } >> { "IB" "Na" "sp3" } >> # "new" types >> { "H0" "H" "sp3" } >> >> } >> # >> # Load the main parameter set. >> # >> parm99 = loadamberparams parm99.dat Loading parameters: /Library/WebServer/Documents/dnasite/amber11/dat/leap/parm/parm99.dat Reading title: PARM99 for DNA,RNA,AA, organic molecules, TIP3P wat. Polariz.& LP incl.02/04/99 (UNKNOWN ATOM TYPE: HZ) (UNKNOWN ATOM TYPE: NY) (UNKNOWN ATOM TYPE: LP) >> frcmod03 = loadamberparams frcmod.ff03 Loading parameters: /Library/WebServer/Documents/dnasite/amber11/dat/leap/parm/frcmod.ff03 Reading force field modification type file (frcmod) Reading title: Duan et al ff03 phi psi torsions >> >> # >> # Load water and ions >> # >> loadOff ions94.lib Loading library: /Library/WebServer/Documents/dnasite/amber11/dat/leap/lib/ions94.lib Loading: CIO Loading: Cl- Loading: Cs+ Loading: IB Loading: K+ Loading: Li+ Loading: MG2 Loading: Na+ Loading: Rb+ >> loadOff solvents.lib Loading library: /Library/WebServer/Documents/dnasite/amber11/dat/leap/lib/solvents.lib Loading: CHCL3BOX Loading: DC4 Loading: MEOHBOX Loading: NMABOX Loading: PL3 Loading: POL3BOX Loading: QSPCFWBOX Loading: SPC Loading: SPCBOX Loading: SPCFWBOX Loading: SPF Loading: SPG Loading: T4E Loading: TIP3PBOX Loading: TIP3PFBOX Loading: TIP4PBOX Loading: TIP4PEWBOX Loading: TP3 Loading: TP4 Loading: TP5 Loading: TPF >> HOH = TP3 >> WAT = TP3 >> >> # >> # Load the existing 94 lib for nucleic acids and C- and N- terminal groups >> # >> # >> # Load DNA/RNA libraries >> # >> loadOff all_nucleic94.lib Loading library: /Library/WebServer/Documents/dnasite/amber11/dat/leap/lib/all_nucleic94.lib Loading: DA Loading: DA3 Loading: DA5 Loading: DAN Loading: DC Loading: DC3 Loading: DC5 Loading: DCN Loading: DG Loading: DG3 Loading: DG5 Loading: DGN Loading: DT Loading: DT3 Loading: DT5 Loading: DTN Loading: RA Loading: RA3 Loading: RA5 Loading: RAN Loading: RC Loading: RC3 Loading: RC5 Loading: RCN Loading: RG Loading: RG3 Loading: RG5 Loading: RGN Loading: RU Loading: RU3 Loading: RU5 Loading: RUN >> # >> # Load main chain and terminating >> # amino acid libraries. >> # >> loadOff all_aminoct03.lib Loading library: /Library/WebServer/Documents/dnasite/amber11/dat/leap/lib/all_aminoct03.lib Loading: CALA Loading: CARG Loading: CASN Loading: CASP Loading: CCYS Loading: CGLN Loading: CGLU Loading: CGLY Loading: CHID Loading: CHIE Loading: CHIP Loading: CILE Loading: CLEU Loading: CLYS Loading: CMET Loading: CPHE Loading: CPRO Loading: CSER Loading: CTHR Loading: CTRP Loading: CTYR Loading: CVAL Loading: NHE Loading: NME >> loadOff all_aminont03.lib Loading library: /Library/WebServer/Documents/dnasite/amber11/dat/leap/lib/all_aminont03.lib Loading: ACE Loading: NALA Loading: NARG Loading: NASN Loading: NASP Loading: NCYS Loading: NGLN Loading: NGLU Loading: NGLY Loading: NHID Loading: NHIE Loading: NHIP Loading: NILE Loading: NLEU Loading: NLYS Loading: NMET Loading: NPHE Loading: NPRO Loading: NSER Loading: NTHR Loading: NTRP Loading: NTYR Loading: NVAL >> loadOff all_amino03.lib Loading library: /Library/WebServer/Documents/dnasite/amber11/dat/leap/lib/all_amino03.lib Loading: ACE Loading: ALA Loading: ARG Loading: ASH Loading: ASN Loading: ASP Loading: CYM Loading: CYS Loading: CYX Loading: GLH Loading: GLN Loading: GLU Loading: GLY Loading: HID Loading: HIE Loading: HIP Loading: ILE Loading: LEU Loading: LYN Loading: LYS Loading: MET Loading: NHE Loading: NME Loading: PHE Loading: PRO Loading: SER Loading: THR Loading: TRP Loading: TYR Loading: VAL >> >> >> # >> # Define the PDB name map for the amino acids and DNA. >> # >> addPdbResMap { >> { 0 "ALA" "NALA" } { 1 "ALA" "CALA" } >> { 0 "ARG" "NARG" } { 1 "ARG" "CARG" } >> { 0 "ASN" "NASN" } { 1 "ASN" "CASN" } >> { 0 "ASP" "NASP" } { 1 "ASP" "CASP" } >> { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" } >> { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" } >> { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" } >> { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" } >> { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" } >> { 0 "HID" "NHID" } { 1 "HID" "CHID" } >> { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" } >> { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" } >> { 0 "ILE" "NILE" } { 1 "ILE" "CILE" } >> { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" } >> { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" } >> { 0 "MET" "NMET" } { 1 "MET" "CMET" } >> { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" } >> { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" } >> { 0 "SER" "NSER" } { 1 "SER" "CSER" } >> { 0 "THR" "NTHR" } { 1 "THR" "CTHR" } >> { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" } >> { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" } >> { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" } >> { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" } >> { 0 "GUA" "DG5" } { 1 "GUA" "DG3" } { "GUA" "DG" } >> { 0 "ADE" "DA5" } { 1 "ADE" "DA3" } { "ADE" "DA" } >> { 0 "CYT" "DC5" } { 1 "CYT" "DC3" } { "CYT" "DC" } >> { 0 "THY" "DT5" } { 1 "THY" "DT3" } { "THY" "DT" } >> { 0 "G" "RG5" } { 1 "G" "RG3" } { "G" "RG" } { "GN" "RGN" } >> { 0 "A" "RA5" } { 1 "A" "RA3" } { "A" "RA" } { "AN" "RAN" } >> { 0 "C" "RC5" } { 1 "C" "RC3" } { "C" "RC" } { "CN" "RCN" } >> { 0 "U" "RU5" } { 1 "U" "RU3" } { "U" "RU" } { "UN" "RUN" } >> { 0 "DG" "DG5" } { 1 "DG" "DG3" } >> { 0 "DA" "DA5" } { 1 "DA" "DA3" } >> { 0 "DC" "DC5" } { 1 "DC" "DC3" } >> { 0 "DT" "DT5" } { 1 "DT" "DT3" } >> >> } >> >> addPdbAtomMap { >> { "O5*" "O5'" } >> { "C5*" "C5'" } >> { "C4*" "C4'" } >> { "O4*" "O4'" } >> { "C3*" "C3'" } >> { "O3*" "O3'" } >> { "C2*" "C2'" } >> { "O2*" "O2'" } >> { "C1*" "C1'" } >> { "C5M" "C7" } >> { "H1*" "H1'" } >> { "H2*1" "H2'1" } >> { "H2*2" "H2'2" } >> { "H2'" "H2'1" } >> { "H2''" "H2'2" } >> { "H3*" "H3'" } >> { "H4*" "H4'" } >> { "H5*1" "H5'1" } >> { "H5*2" "H5'2" } >> { "H5'" "H5'1" } >> { "H5''" "H5'2" } >> { "HO2'" "HO'2" } >> { "HO5'" "H5T" } >> { "HO3'" "H3T" } >> # old ff atom names -> new >> { "O1'" "O4'" } >> { "OA" "O1P" } >> { "OB" "O2P" } >> { "OP1" "O1P" } >> { "OP2" "O2P" } >> } >> >> >> # >> # assumed that most often proteins use HIE >> # >> NHIS = NHIE >> HIS = HIE >> CHIS = CHIE > > set default PBradii bondi Using Bondi radii > trx = loadpdb amber-724768-A-wild.pdb Loading PDB file: ./amber-724768-A-wild.pdb Enter zPdbReadScan from call depth 0. Exit zPdbReadScan from call depth 0. Matching PDB residue names to LEaP variables. Mapped residue ARG, term: Terminal/beginning, seq. number: 0 to: NARG. (Residue 1: LYS, Nonterminal, was not found in name map.) (Residue 2: SER, Nonterminal, was not found in name map.) (Residue 3: ARG, Nonterminal, was not found in name map.) (Residue 4: ILE, Nonterminal, was not found in name map.) (Residue 5: THR, Nonterminal, was not found in name map.) (Residue 6: ASN, Nonterminal, was not found in name map.) (Residue 7: TYR, Nonterminal, was not found in name map.) (Residue 8: PRO, Nonterminal, was not found in name map.) (Residue 9: LYS, Nonterminal, was not found in name map.) (Residue 10: LEU, Nonterminal, was not found in name map.) (Residue 11: GLU, Nonterminal, was not found in name map.) (Residue 12: ASP, Nonterminal, was not found in name map.) (Residue 13: ALA, Nonterminal, was not found in name map.) (Residue 14: ASN, Nonterminal, was not found in name map.) (Residue 15: LYS, Nonterminal, was not found in name map.) (Residue 16: ALA, Nonterminal, was not found in name map.) (Residue 17: GLY, Nonterminal, was not found in name map.) (Residue 18: THR, Nonterminal, was not found in name map.) (Residue 19: LYS, Nonterminal, was not found in name map.) (Residue 20: GLU, Nonterminal, was not found in name map.) (Residue 21: GLY, Nonterminal, was not found in name map.) (Residue 22: TYR, Nonterminal, was not found in name map.) (Residue 23: LYS, Nonterminal, was not found in name map.) (Residue 24: CYS, Nonterminal, was not found in name map.) (Residue 25: THR, Nonterminal, was not found in name map.) (Residue 26: LEU, Nonterminal, was not found in name map.) (Residue 27: VAL, Nonterminal, was not found in name map.) (Residue 28: LEU, Nonterminal, was not found in name map.) (Residue 29: THR, Nonterminal, was not found in name map.) (Residue 30: GLU, Nonterminal, was not found in name map.) (Residue 31: GLY, Nonterminal, was not found in name map.) (Residue 32: ASP, Nonterminal, was not found in name map.) (Residue 33: SER, Nonterminal, was not found in name map.) (Residue 34: ALA, Nonterminal, was not found in name map.) (Residue 35: LEU, Nonterminal, was not found in name map.) (Residue 36: SER, Nonterminal, was not found in name map.) (Residue 37: LEU, Nonterminal, was not found in name map.) (Residue 38: ALA, Nonterminal, was not found in name map.) (Residue 39: VAL, Nonterminal, was not found in name map.) (Residue 40: ALA, Nonterminal, was not found in name map.) (Residue 41: GLY, Nonterminal, was not found in name map.) (Residue 42: LEU, Nonterminal, was not found in name map.) (Residue 43: ALA, Nonterminal, was not found in name map.) (Residue 44: VAL, Nonterminal, was not found in name map.) (Residue 45: VAL, Nonterminal, was not found in name map.) (Residue 46: GLY, Nonterminal, was not found in name map.) (Residue 47: ARG, Nonterminal, was not found in name map.) (Residue 48: ASP, Nonterminal, was not found in name map.) (Residue 49: TYR, Nonterminal, was not found in name map.) (Residue 50: TYR, Nonterminal, was not found in name map.) (Residue 51: GLY, Nonterminal, was not found in name map.) (Residue 52: CYS, Nonterminal, was not found in name map.) (Residue 53: TYR, Nonterminal, was not found in name map.) (Residue 54: PRO, Nonterminal, was not found in name map.) (Residue 55: LEU, Nonterminal, was not found in name map.) (Residue 56: ARG, Nonterminal, was not found in name map.) (Residue 57: GLY, Nonterminal, was not found in name map.) (Residue 58: LYS, Nonterminal, was not found in name map.) (Residue 59: MET, Nonterminal, was not found in name map.) (Residue 60: LEU, Nonterminal, was not found in name map.) (Residue 61: ASN, Nonterminal, was not found in name map.) (Residue 62: VAL, Nonterminal, was not found in name map.) (Residue 63: ARG, Nonterminal, was not found in name map.) (Residue 64: GLU, Nonterminal, was not found in name map.) (Residue 65: ALA, Nonterminal, was not found in name map.) (Residue 66: SER, Nonterminal, was not found in name map.) (Residue 67: ALA, Nonterminal, was not found in name map.) (Residue 68: ASP, Nonterminal, was not found in name map.) (Residue 69: GLN, Nonterminal, was not found in name map.) (Residue 70: ILE, Nonterminal, was not found in name map.) (Residue 71: LEU, Nonterminal, was not found in name map.) (Residue 72: LYS, Nonterminal, was not found in name map.) (Residue 73: ASN, Nonterminal, was not found in name map.) (Residue 74: ALA, Nonterminal, was not found in name map.) (Residue 75: GLU, Nonterminal, was not found in name map.) (Residue 76: ILE, Nonterminal, was not found in name map.) (Residue 77: GLN, Nonterminal, was not found in name map.) (Residue 78: ALA, Nonterminal, was not found in name map.) (Residue 79: ILE, Nonterminal, was not found in name map.) (Residue 80: LYS, Nonterminal, was not found in name map.) (Residue 81: LYS, Nonterminal, was not found in name map.) (Residue 82: ILE, Nonterminal, was not found in name map.) (Residue 83: MET, Nonterminal, was not found in name map.) (Residue 84: GLY, Nonterminal, was not found in name map.) (Residue 85: LEU, Nonterminal, was not found in name map.) (Residue 86: GLN, Nonterminal, was not found in name map.) (Residue 87: HIE, Nonterminal, was not found in name map.) (Residue 88: ARG, Nonterminal, was not found in name map.) (Residue 89: LYS, Nonterminal, was not found in name map.) (Residue 90: LYS, Nonterminal, was not found in name map.) (Residue 91: TYR, Nonterminal, was not found in name map.) (Residue 92: GLU, Nonterminal, was not found in name map.) (Residue 93: ASP, Nonterminal, was not found in name map.) (Residue 94: THR, Nonterminal, was not found in name map.) (Residue 95: LYS, Nonterminal, was not found in name map.) (Residue 96: SER, Nonterminal, was not found in name map.) (Residue 97: LEU, Nonterminal, was not found in name map.) (Residue 98: ARG, Nonterminal, was not found in name map.) (Residue 99: TYR, Nonterminal, was not found in name map.) (Residue 100: GLY, Nonterminal, was not found in name map.) (Residue 101: HID, Nonterminal, was not found in name map.) (Residue 102: LEU, Nonterminal, was not found in name map.) (Residue 103: MET, Nonterminal, was not found in name map.) (Residue 104: ILE, Nonterminal, was not found in name map.) (Residue 105: MET, Nonterminal, was not found in name map.) (Residue 106: THR, Nonterminal, was not found in name map.) (Residue 107: ASP, Nonterminal, was not found in name map.) (Residue 108: GLN, Nonterminal, was not found in name map.) (Residue 109: ASP, Nonterminal, was not found in name map.) (Residue 110: HIE, Nonterminal, was not found in name map.) (Residue 111: ASP, Nonterminal, was not found in name map.) (Residue 112: GLY, Nonterminal, was not found in name map.) (Residue 113: SER, Nonterminal, was not found in name map.) (Residue 114: HIE, Nonterminal, was not found in name map.) (Residue 115: ILE, Nonterminal, was not found in name map.) (Residue 116: LYS, Nonterminal, was not found in name map.) (Residue 117: GLY, Nonterminal, was not found in name map.) (Residue 118: LEU, Nonterminal, was not found in name map.) (Residue 119: ILE, Nonterminal, was not found in name map.) (Residue 120: ILE, Nonterminal, was not found in name map.) (Residue 121: ASN, Nonterminal, was not found in name map.) (Residue 122: PHE, Nonterminal, was not found in name map.) (Residue 123: LEU, Nonterminal, was not found in name map.) (Residue 124: GLU, Nonterminal, was not found in name map.) (Residue 125: SER, Nonterminal, was not found in name map.) (Residue 126: SER, Nonterminal, was not found in name map.) (Residue 127: PHE, Nonterminal, was not found in name map.) (Residue 128: LEU, Nonterminal, was not found in name map.) (Residue 129: GLY, Nonterminal, was not found in name map.) (Residue 130: LEU, Nonterminal, was not found in name map.) (Residue 131: LEU, Nonterminal, was not found in name map.) (Residue 132: ASP, Nonterminal, was not found in name map.) (Residue 133: ILE, Nonterminal, was not found in name map.) (Residue 134: GLN, Nonterminal, was not found in name map.) (Residue 135: GLY, Nonterminal, was not found in name map.) (Residue 136: PHE, Nonterminal, was not found in name map.) (Residue 137: LEU, Nonterminal, was not found in name map.) (Residue 138: LEU, Nonterminal, was not found in name map.) (Residue 139: GLU, Nonterminal, was not found in name map.) (Residue 140: PHE, Nonterminal, was not found in name map.) (Residue 141: ILE, Nonterminal, was not found in name map.) (Residue 142: THR, Nonterminal, was not found in name map.) (Residue 143: PRO, Nonterminal, was not found in name map.) (Residue 144: ILE, Nonterminal, was not found in name map.) (Residue 145: ILE, Nonterminal, was not found in name map.) (Residue 146: LYS, Nonterminal, was not found in name map.) (Residue 147: VAL, Nonterminal, was not found in name map.) (Residue 148: SER, Nonterminal, was not found in name map.) (Residue 149: ILE, Nonterminal, was not found in name map.) (Residue 150: THR, Nonterminal, was not found in name map.) (Residue 151: LYS, Nonterminal, was not found in name map.) (Residue 152: PRO, Nonterminal, was not found in name map.) (Residue 153: THR, Nonterminal, was not found in name map.) (Residue 154: LYS, Nonterminal, was not found in name map.) (Residue 155: ASN, Nonterminal, was not found in name map.) (Residue 156: THR, Nonterminal, was not found in name map.) (Residue 157: ILE, Nonterminal, was not found in name map.) (Residue 158: ALA, Nonterminal, was not found in name map.) (Residue 159: PHE, Nonterminal, was not found in name map.) (Residue 160: TYR, Nonterminal, was not found in name map.) (Residue 161: ASN, Nonterminal, was not found in name map.) (Residue 162: MET, Nonterminal, was not found in name map.) (Residue 163: PRO, Nonterminal, was not found in name map.) (Residue 164: ASP, Nonterminal, was not found in name map.) (Residue 165: TYR, Nonterminal, was not found in name map.) (Residue 166: GLU, Nonterminal, was not found in name map.) (Residue 167: LYS, Nonterminal, was not found in name map.) (Residue 168: TRP, Nonterminal, was not found in name map.) (Residue 169: ARG, Nonterminal, was not found in name map.) (Residue 170: GLU, Nonterminal, was not found in name map.) (Residue 171: GLU, Nonterminal, was not found in name map.) (Residue 172: GLU, Nonterminal, was not found in name map.) (Residue 173: SER, Nonterminal, was not found in name map.) (Residue 174: HIE, Nonterminal, was not found in name map.) (Residue 175: LYS, Nonterminal, was not found in name map.) (Residue 176: PHE, Nonterminal, was not found in name map.) (Residue 177: THR, Nonterminal, was not found in name map.) (Residue 178: TRP, Nonterminal, was not found in name map.) (Residue 179: LYS, Nonterminal, was not found in name map.) (Residue 180: GLN, Nonterminal, was not found in name map.) (Residue 181: LYS, Nonterminal, was not found in name map.) (Residue 182: TYR, Nonterminal, was not found in name map.) (Residue 183: TYR, Nonterminal, was not found in name map.) (Residue 184: LYS, Nonterminal, was not found in name map.) (Residue 185: GLY, Nonterminal, was not found in name map.) (Residue 186: LEU, Nonterminal, was not found in name map.) (Residue 187: GLY, Nonterminal, was not found in name map.) (Residue 188: THR, Nonterminal, was not found in name map.) (Residue 189: SER, Nonterminal, was not found in name map.) (Residue 190: LEU, Nonterminal, was not found in name map.) (Residue 191: ALA, Nonterminal, was not found in name map.) (Residue 192: GLN, Nonterminal, was not found in name map.) (Residue 193: GLU, Nonterminal, was not found in name map.) (Residue 194: VAL, Nonterminal, was not found in name map.) (Residue 195: ARG, Nonterminal, was not found in name map.) (Residue 196: GLU, Nonterminal, was not found in name map.) (Residue 197: TYR, Nonterminal, was not found in name map.) (Residue 198: PHE, Nonterminal, was not found in name map.) (Residue 199: SER, Nonterminal, was not found in name map.) (Residue 200: ASN, Nonterminal, was not found in name map.) (Residue 201: LEU, Nonterminal, was not found in name map.) (Residue 202: ASP, Nonterminal, was not found in name map.) (Residue 203: ARG, Nonterminal, was not found in name map.) (Residue 204: HIE, Nonterminal, was not found in name map.) (Residue 205: LEU, Nonterminal, was not found in name map.) (Residue 206: LYS, Nonterminal, was not found in name map.) (Residue 207: ILE, Nonterminal, was not found in name map.) (Residue 208: PHE, Nonterminal, was not found in name map.) (Residue 209: HIE, Nonterminal, was not found in name map.) (Residue 210: SER, Nonterminal, was not found in name map.) (Residue 211: LEU, Nonterminal, was not found in name map.) (Residue 212: GLN, Nonterminal, was not found in name map.) (Residue 213: GLY, Nonterminal, was not found in name map.) (Residue 214: LEU, Nonterminal, was not found in name map.) (Residue 215: PHE, Nonterminal, was not found in name map.) (Residue 216: SER, Nonterminal, was not found in name map.) (Residue 217: LEU, Nonterminal, was not found in name map.) (Residue 218: ALA, Nonterminal, was not found in name map.) (Residue 219: ASP, Nonterminal, was not found in name map.) (Residue 220: ASN, Nonterminal, was not found in name map.) (Residue 221: ILE, Nonterminal, was not found in name map.) (Residue 222: ARG, Nonterminal, was not found in name map.) (Residue 223: SER, Nonterminal, was not found in name map.) (Residue 224: ILE, Nonterminal, was not found in name map.) (Residue 225: PRO, Nonterminal, was not found in name map.) (Residue 226: ASN, Nonterminal, was not found in name map.) (Residue 227: VAL, Nonterminal, was not found in name map.) (Residue 228: LEU, Nonterminal, was not found in name map.) (Residue 229: ASP, Nonterminal, was not found in name map.) (Residue 230: GLY, Nonterminal, was not found in name map.) (Residue 231: PHE, Nonterminal, was not found in name map.) (Residue 232: LYS, Nonterminal, was not found in name map.) (Residue 233: PRO, Nonterminal, was not found in name map.) (Residue 234: GLY, Nonterminal, was not found in name map.) (Residue 235: GLN, Nonterminal, was not found in name map.) (Residue 236: ARG, Nonterminal, was not found in name map.) (Residue 237: LYS, Nonterminal, was not found in name map.) (Residue 238: VAL, Nonterminal, was not found in name map.) (Residue 239: LEU, Nonterminal, was not found in name map.) (Residue 240: TYR, Nonterminal, was not found in name map.) (Residue 241: GLY, Nonterminal, was not found in name map.) (Residue 242: CYS, Nonterminal, was not found in name map.) (Residue 243: PHE, Nonterminal, was not found in name map.) (Residue 244: LYS, Nonterminal, was not found in name map.) (Residue 245: LYS, Nonterminal, was not found in name map.) (Residue 246: ASN, Nonterminal, was not found in name map.) (Residue 247: LEU, Nonterminal, was not found in name map.) (Residue 248: LYS, Nonterminal, was not found in name map.) (Residue 249: SER, Nonterminal, was not found in name map.) (Residue 250: GLU, Nonterminal, was not found in name map.) (Residue 251: LEU, Nonterminal, was not found in name map.) (Residue 252: LYS, Nonterminal, was not found in name map.) (Residue 253: VAL, Nonterminal, was not found in name map.) (Residue 254: ALA, Nonterminal, was not found in name map.) (Residue 255: GLN, Nonterminal, was not found in name map.) (Residue 256: LEU, Nonterminal, was not found in name map.) (Residue 257: ALA, Nonterminal, was not found in name map.) (Residue 258: PRO, Nonterminal, was not found in name map.) (Residue 259: TYR, Nonterminal, was not found in name map.) (Residue 260: VAL, Nonterminal, was not found in name map.) (Residue 261: SER, Nonterminal, was not found in name map.) (Residue 262: GLU, Nonterminal, was not found in name map.) (Residue 263: CYS, Nonterminal, was not found in name map.) (Residue 264: THR, Nonterminal, was not found in name map.) (Residue 265: ALA, Nonterminal, was not found in name map.) (Residue 266: TYR, Nonterminal, was not found in name map.) (Residue 267: HIE, Nonterminal, was not found in name map.) (Residue 268: HIE, Nonterminal, was not found in name map.) (Residue 269: GLY, Nonterminal, was not found in name map.) (Residue 270: GLU, Nonterminal, was not found in name map.) (Residue 271: GLN, Nonterminal, was not found in name map.) (Residue 272: SER, Nonterminal, was not found in name map.) (Residue 273: LEU, Nonterminal, was not found in name map.) (Residue 274: ALA, Nonterminal, was not found in name map.) (Residue 275: GLN, Nonterminal, was not found in name map.) (Residue 276: THR, Nonterminal, was not found in name map.) (Residue 277: ILE, Nonterminal, was not found in name map.) (Residue 278: ILE, Nonterminal, was not found in name map.) (Residue 279: GLY, Nonterminal, was not found in name map.) (Residue 280: LEU, Nonterminal, was not found in name map.) (Residue 281: ALA, Nonterminal, was not found in name map.) (Residue 282: GLN, Nonterminal, was not found in name map.) (Residue 283: ASN, Nonterminal, was not found in name map.) (Residue 284: PHE, Nonterminal, was not found in name map.) (Residue 285: VAL, Nonterminal, was not found in name map.) (Residue 286: GLY, Nonterminal, was not found in name map.) (Residue 287: SER, Nonterminal, was not found in name map.) (Residue 288: ASN, Nonterminal, was not found in name map.) (Residue 289: ASN, Nonterminal, was not found in name map.) (Residue 290: ILE, Nonterminal, was not found in name map.) (Residue 291: TYR, Nonterminal, was not found in name map.) (Residue 292: LEU, Nonterminal, was not found in name map.) (Residue 293: LEU, Nonterminal, was not found in name map.) (Residue 294: LEU, Nonterminal, was not found in name map.) (Residue 295: PRO, Nonterminal, was not found in name map.) (Residue 296: ASN, Nonterminal, was not found in name map.) (Residue 297: GLY, Nonterminal, was not found in name map.) (Residue 298: ALA, Nonterminal, was not found in name map.) (Residue 299: PHE, Nonterminal, was not found in name map.) (Residue 300: GLY, Nonterminal, was not found in name map.) (Residue 301: THR, Nonterminal, was not found in name map.) (Residue 302: ARG, Nonterminal, was not found in name map.) (Residue 303: ALA, Nonterminal, was not found in name map.) (Residue 304: THR, Nonterminal, was not found in name map.) (Residue 305: GLY, Nonterminal, was not found in name map.) (Residue 306: GLY, Nonterminal, was not found in name map.) (Residue 307: LYS, Nonterminal, was not found in name map.) (Residue 308: ASP, Nonterminal, was not found in name map.) (Residue 309: ALA, Nonterminal, was not found in name map.) (Residue 310: ALA, Nonterminal, was not found in name map.) (Residue 311: ALA, Nonterminal, was not found in name map.) (Residue 312: ALA, Nonterminal, was not found in name map.) (Residue 313: ARG, Nonterminal, was not found in name map.) (Residue 314: TYR, Nonterminal, was not found in name map.) (Residue 315: ILE, Nonterminal, was not found in name map.) (Residue 316: TYR, Nonterminal, was not found in name map.) (Residue 317: THR, Nonterminal, was not found in name map.) (Residue 318: GLU, Nonterminal, was not found in name map.) (Residue 319: LEU, Nonterminal, was not found in name map.) (Residue 320: ASN, Nonterminal, was not found in name map.) (Residue 321: LYS, Nonterminal, was not found in name map.) (Residue 322: LEU, Nonterminal, was not found in name map.) (Residue 323: THR, Nonterminal, was not found in name map.) (Residue 324: ARG, Nonterminal, was not found in name map.) (Residue 325: LYS, Nonterminal, was not found in name map.) (Residue 326: ILE, Nonterminal, was not found in name map.) (Residue 327: PHE, Nonterminal, was not found in name map.) (Residue 328: HIE, Nonterminal, was not found in name map.) (Residue 329: PRO, Nonterminal, was not found in name map.) (Residue 330: ALA, Nonterminal, was not found in name map.) (Residue 331: ASP, Nonterminal, was not found in name map.) (Residue 332: ASP, Nonterminal, was not found in name map.) (Residue 333: PRO, Nonterminal, was not found in name map.) (Residue 334: LEU, Nonterminal, was not found in name map.) (Residue 335: TYR, Nonterminal, was not found in name map.) (Residue 336: LYS, Nonterminal, was not found in name map.) (Residue 337: TYR, Nonterminal, was not found in name map.) (Residue 338: ILE, Nonterminal, was not found in name map.) (Residue 339: GLN, Nonterminal, was not found in name map.) (Residue 340: GLU, Nonterminal, was not found in name map.) (Residue 341: ASP, Nonterminal, was not found in name map.) (Residue 342: GLU, Nonterminal, was not found in name map.) (Residue 343: LYS, Nonterminal, was not found in name map.) (Residue 344: THR, Nonterminal, was not found in name map.) (Residue 345: VAL, Nonterminal, was not found in name map.) (Residue 346: GLU, Nonterminal, was not found in name map.) (Residue 347: PRO, Nonterminal, was not found in name map.) (Residue 348: GLU, Nonterminal, was not found in name map.) (Residue 349: TRP, Nonterminal, was not found in name map.) (Residue 350: TYR, Nonterminal, was not found in name map.) (Residue 351: LEU, Nonterminal, was not found in name map.) (Residue 352: PRO, Nonterminal, was not found in name map.) (Residue 353: ILE, Nonterminal, was not found in name map.) (Residue 354: LEU, Nonterminal, was not found in name map.) (Residue 355: PRO, Nonterminal, was not found in name map.) (Residue 356: MET, Nonterminal, was not found in name map.) (Residue 357: ILE, Nonterminal, was not found in name map.) (Residue 358: LEU, Nonterminal, was not found in name map.) (Residue 359: VAL, Nonterminal, was not found in name map.) (Residue 360: ASN, Nonterminal, was not found in name map.) (Residue 361: GLY, Nonterminal, was not found in name map.) (Residue 362: ALA, Nonterminal, was not found in name map.) (Residue 363: GLU, Nonterminal, was not found in name map.) (Residue 364: GLY, Nonterminal, was not found in name map.) (Residue 365: ILE, Nonterminal, was not found in name map.) (Residue 366: GLY, Nonterminal, was not found in name map.) (Residue 367: THR, Nonterminal, was not found in name map.) (Residue 368: GLY, Nonterminal, was not found in name map.) (Residue 369: TRP, Nonterminal, was not found in name map.) (Residue 370: SER, Nonterminal, was not found in name map.) (Residue 371: THR, Nonterminal, was not found in name map.) (Residue 372: TYR, Nonterminal, was not found in name map.) (Residue 373: ILE, Nonterminal, was not found in name map.) (Residue 374: PRO, Nonterminal, was not found in name map.) (Residue 375: PRO, Nonterminal, was not found in name map.) (Residue 376: PHE, Nonterminal, was not found in name map.) (Residue 377: ASN, Nonterminal, was not found in name map.) (Residue 378: PRO, Nonterminal, was not found in name map.) (Residue 379: LEU, Nonterminal, was not found in name map.) (Residue 380: GLU, Nonterminal, was not found in name map.) (Residue 381: ILE, Nonterminal, was not found in name map.) (Residue 382: ILE, Nonterminal, was not found in name map.) (Residue 383: LYS, Nonterminal, was not found in name map.) (Residue 384: ASN, Nonterminal, was not found in name map.) (Residue 385: ILE, Nonterminal, was not found in name map.) (Residue 386: ARG, Nonterminal, was not found in name map.) (Residue 387: HIP, Nonterminal, was not found in name map.) (Residue 388: LEU, Nonterminal, was not found in name map.) (Residue 389: MET, Nonterminal, was not found in name map.) (Residue 390: ASN, Nonterminal, was not found in name map.) (Residue 391: ASP, Nonterminal, was not found in name map.) (Residue 392: GLU, Nonterminal, was not found in name map.) (Residue 393: GLU, Nonterminal, was not found in name map.) (Residue 394: LEU, Nonterminal, was not found in name map.) (Residue 395: GLU, Nonterminal, was not found in name map.) (Residue 396: GLN, Nonterminal, was not found in name map.) (Residue 397: MET, Nonterminal, was not found in name map.) (Residue 398: HIE, Nonterminal, was not found in name map.) (Residue 399: PRO, Nonterminal, was not found in name map.) (Residue 400: TRP, Nonterminal, was not found in name map.) (Residue 401: PHE, Nonterminal, was not found in name map.) (Residue 402: ARG, Nonterminal, was not found in name map.) (Residue 403: GLY, Nonterminal, was not found in name map.) (Residue 404: TRP, Nonterminal, was not found in name map.) (Residue 405: THR, Nonterminal, was not found in name map.) (Residue 406: GLY, Nonterminal, was not found in name map.) (Residue 407: THR, Nonterminal, was not found in name map.) (Residue 408: ILE, Nonterminal, was not found in name map.) (Residue 409: GLU, Nonterminal, was not found in name map.) (Residue 410: GLU, Nonterminal, was not found in name map.) (Residue 411: ILE, Nonterminal, was not found in name map.) (Residue 412: GLU, Nonterminal, was not found in name map.) (Residue 413: PRO, Nonterminal, was not found in name map.) (Residue 414: LEU, Nonterminal, was not found in name map.) (Residue 415: ARG, Nonterminal, was not found in name map.) (Residue 416: TYR, Nonterminal, was not found in name map.) (Residue 417: ARG, Nonterminal, was not found in name map.) (Residue 418: MET, Nonterminal, was not found in name map.) (Residue 419: TYR, Nonterminal, was not found in name map.) (Residue 420: GLY, Nonterminal, was not found in name map.) (Residue 421: ARG, Nonterminal, was not found in name map.) (Residue 422: ILE, Nonterminal, was not found in name map.) (Residue 423: GLU, Nonterminal, was not found in name map.) (Residue 424: GLN, Nonterminal, was not found in name map.) (Residue 425: ILE, Nonterminal, was not found in name map.) (Residue 426: GLY, Nonterminal, was not found in name map.) (Residue 427: ASP, Nonterminal, was not found in name map.) (Residue 428: ASN, Nonterminal, was not found in name map.) (Residue 429: VAL, Nonterminal, was not found in name map.) (Residue 430: LEU, Nonterminal, was not found in name map.) (Residue 431: GLU, Nonterminal, was not found in name map.) (Residue 432: ILE, Nonterminal, was not found in name map.) (Residue 433: THR, Nonterminal, was not found in name map.) (Residue 434: GLU, Nonterminal, was not found in name map.) (Residue 435: LEU, Nonterminal, was not found in name map.) (Residue 436: PRO, Nonterminal, was not found in name map.) (Residue 437: ALA, Nonterminal, was not found in name map.) (Residue 438: ARG, Nonterminal, was not found in name map.) (Residue 439: THR, Nonterminal, was not found in name map.) (Residue 440: TRP, Nonterminal, was not found in name map.) (Residue 441: THR, Nonterminal, was not found in name map.) (Residue 442: SER, Nonterminal, was not found in name map.) (Residue 443: THR, Nonterminal, was not found in name map.) (Residue 444: ILE, Nonterminal, was not found in name map.) (Residue 445: LYS, Nonterminal, was not found in name map.) (Residue 446: GLU, Nonterminal, was not found in name map.) (Residue 447: TYR, Nonterminal, was not found in name map.) (Residue 448: LEU, Nonterminal, was not found in name map.) (Residue 449: LEU, Nonterminal, was not found in name map.) (Residue 450: LEU, Nonterminal, was not found in name map.) (Residue 451: GLY, Nonterminal, was not found in name map.) (Residue 452: LEU, Nonterminal, was not found in name map.) (Residue 453: SER, Nonterminal, was not found in name map.) (Residue 454: GLY, Nonterminal, was not found in name map.) (Residue 455: ASN, Nonterminal, was not found in name map.) (Residue 456: ASP, Nonterminal, was not found in name map.) (Residue 457: LYS, Nonterminal, was not found in name map.) (Residue 458: ILE, Nonterminal, was not found in name map.) (Residue 459: LYS, Nonterminal, was not found in name map.) (Residue 460: PRO, Nonterminal, was not found in name map.) (Residue 461: TRP, Nonterminal, was not found in name map.) (Residue 462: ILE, Nonterminal, was not found in name map.) (Residue 463: LYS, Nonterminal, was not found in name map.) (Residue 464: ASP, Nonterminal, was not found in name map.) (Residue 465: MET, Nonterminal, was not found in name map.) (Residue 466: GLU, Nonterminal, was not found in name map.) (Residue 467: GLU, Nonterminal, was not found in name map.) (Residue 468: GLN, Nonterminal, was not found in name map.) (Residue 469: HIE, Nonterminal, was not found in name map.) (Residue 470: ASP, Nonterminal, was not found in name map.) (Residue 471: ASP, Nonterminal, was not found in name map.) (Residue 472: ASN, Nonterminal, was not found in name map.) (Residue 473: ILE, Nonterminal, was not found in name map.) (Residue 474: LYS, Nonterminal, was not found in name map.) (Residue 475: PHE, Nonterminal, was not found in name map.) (Residue 476: ILE, Nonterminal, was not found in name map.) (Residue 477: ILE, Nonterminal, was not found in name map.) (Residue 478: THR, Nonterminal, was not found in name map.) (Residue 479: LEU, Nonterminal, was not found in name map.) (Residue 480: SER, Nonterminal, was not found in name map.) (Residue 481: PRO, Nonterminal, was not found in name map.) (Residue 482: GLU, Nonterminal, was not found in name map.) (Residue 483: GLU, Nonterminal, was not found in name map.) (Residue 484: MET, Nonterminal, was not found in name map.) (Residue 485: ALA, Nonterminal, was not found in name map.) (Residue 486: LYS, Nonterminal, was not found in name map.) (Residue 487: THR, Nonterminal, was not found in name map.) (Residue 488: ARG, Nonterminal, was not found in name map.) (Residue 489: LYS, Nonterminal, was not found in name map.) (Residue 490: ILE, Nonterminal, was not found in name map.) (Residue 491: GLY, Nonterminal, was not found in name map.) (Residue 492: PHE, Nonterminal, was not found in name map.) (Residue 493: TYR, Nonterminal, was not found in name map.) (Residue 494: GLU, Nonterminal, was not found in name map.) (Residue 495: ARG, Nonterminal, was not found in name map.) (Residue 496: PHE, Nonterminal, was not found in name map.) (Residue 497: LYS, Nonterminal, was not found in name map.) (Residue 498: LEU, Nonterminal, was not found in name map.) (Residue 499: ILE, Nonterminal, was not found in name map.) (Residue 500: SER, Nonterminal, was not found in name map.) (Residue 501: PRO, Nonterminal, was not found in name map.) (Residue 502: ILE, Nonterminal, was not found in name map.) (Residue 503: SER, Nonterminal, was not found in name map.) (Residue 504: LEU, Nonterminal, was not found in name map.) (Residue 505: MET, Nonterminal, was not found in name map.) (Residue 506: ASN, Nonterminal, was not found in name map.) (Residue 507: MET, Nonterminal, was not found in name map.) (Residue 508: VAL, Nonterminal, was not found in name map.) (Residue 509: ALA, Nonterminal, was not found in name map.) (Residue 510: PHE, Nonterminal, was not found in name map.) (Residue 511: ASP, Nonterminal, was not found in name map.) (Residue 512: PRO, Nonterminal, was not found in name map.) (Residue 513: HIE, Nonterminal, was not found in name map.) (Residue 514: GLY, Nonterminal, was not found in name map.) (Residue 515: LYS, Nonterminal, was not found in name map.) (Residue 516: ILE, Nonterminal, was not found in name map.) (Residue 517: LYS, Nonterminal, was not found in name map.) (Residue 518: LYS, Nonterminal, was not found in name map.) (Residue 519: TYR, Nonterminal, was not found in name map.) (Residue 520: ASN, Nonterminal, was not found in name map.) (Residue 521: SER, Nonterminal, was not found in name map.) (Residue 522: VAL, Nonterminal, was not found in name map.) (Residue 523: ASN, Nonterminal, was not found in name map.) (Residue 524: GLU, Nonterminal, was not found in name map.) (Residue 525: ILE, Nonterminal, was not found in name map.) (Residue 526: LEU, Nonterminal, was not found in name map.) (Residue 527: SER, Nonterminal, was not found in name map.) (Residue 528: GLU, Nonterminal, was not found in name map.) (Residue 529: PHE, Nonterminal, was not found in name map.) (Residue 530: TYR, Nonterminal, was not found in name map.) (Residue 531: TYR, Nonterminal, was not found in name map.) (Residue 532: VAL, Nonterminal, was not found in name map.) (Residue 533: ARG, Nonterminal, was not found in name map.) (Residue 534: LEU, Nonterminal, was not found in name map.) (Residue 535: GLU, Nonterminal, was not found in name map.) (Residue 536: TYR, Nonterminal, was not found in name map.) (Residue 537: TYR, Nonterminal, was not found in name map.) (Residue 538: GLN, Nonterminal, was not found in name map.) (Residue 539: LYS, Nonterminal, was not found in name map.) (Residue 540: ARG, Nonterminal, was not found in name map.) (Residue 541: LYS, Nonterminal, was not found in name map.) (Residue 542: ASP, Nonterminal, was not found in name map.) (Residue 543: HIE, Nonterminal, was not found in name map.) (Residue 544: MET, Nonterminal, was not found in name map.) (Residue 545: SER, Nonterminal, was not found in name map.) (Residue 546: GLU, Nonterminal, was not found in name map.) (Residue 547: ARG, Nonterminal, was not found in name map.) (Residue 548: LEU, Nonterminal, was not found in name map.) (Residue 549: GLN, Nonterminal, was not found in name map.) (Residue 550: TRP, Nonterminal, was not found in name map.) (Residue 551: GLU, Nonterminal, was not found in name map.) (Residue 552: VAL, Nonterminal, was not found in name map.) (Residue 553: GLU, Nonterminal, was not found in name map.) (Residue 554: LYS, Nonterminal, was not found in name map.) (Residue 555: TYR, Nonterminal, was not found in name map.) (Residue 556: SER, Nonterminal, was not found in name map.) (Residue 557: PHE, Nonterminal, was not found in name map.) (Residue 558: GLN, Nonterminal, was not found in name map.) (Residue 559: VAL, Nonterminal, was not found in name map.) (Residue 560: LYS, Nonterminal, was not found in name map.) (Residue 561: PHE, Nonterminal, was not found in name map.) (Residue 562: ILE, Nonterminal, was not found in name map.) (Residue 563: LYS, Nonterminal, was not found in name map.) (Residue 564: MET, Nonterminal, was not found in name map.) (Residue 565: ILE, Nonterminal, was not found in name map.) (Residue 566: ILE, Nonterminal, was not found in name map.) (Residue 567: GLU, Nonterminal, was not found in name map.) (Residue 568: LYS, Nonterminal, was not found in name map.) (Residue 569: GLU, Nonterminal, was not found in name map.) (Residue 570: LEU, Nonterminal, was not found in name map.) (Residue 571: THR, Nonterminal, was not found in name map.) (Residue 572: VAL, Nonterminal, was not found in name map.) (Residue 573: THR, Nonterminal, was not found in name map.) (Residue 574: ASN, Nonterminal, was not found in name map.) (Residue 575: LYS, Nonterminal, was not found in name map.) (Residue 576: PRO, Nonterminal, was not found in name map.) (Residue 577: ARG, Nonterminal, was not found in name map.) (Residue 578: ASN, Nonterminal, was not found in name map.) (Residue 579: ALA, Nonterminal, was not found in name map.) (Residue 580: ILE, Nonterminal, was not found in name map.) (Residue 581: ILE, Nonterminal, was not found in name map.) (Residue 582: GLN, Nonterminal, was not found in name map.) (Residue 583: GLU, Nonterminal, was not found in name map.) (Residue 584: LEU, Nonterminal, was not found in name map.) (Residue 585: GLU, Nonterminal, was not found in name map.) (Residue 586: ASN, Nonterminal, was not found in name map.) (Residue 587: LEU, Nonterminal, was not found in name map.) (Residue 588: GLY, Nonterminal, was not found in name map.) (Residue 589: PHE, Nonterminal, was not found in name map.) (Residue 590: PRO, Nonterminal, was not found in name map.) (Residue 591: ARG, Nonterminal, was not found in name map.) (Residue 592: PHE, Nonterminal, was not found in name map.) (Residue 593: ASN, Nonterminal, was not found in name map.) (Residue 594: LYS, Nonterminal, was not found in name map.) (Residue 595: GLU, Nonterminal, was not found in name map.) (Residue 596: GLY, Nonterminal, was not found in name map.) (Residue 597: LYS, Nonterminal, was not found in name map.) (Residue 598: PRO, Nonterminal, was not found in name map.) (Residue 599: TYR, Nonterminal, was not found in name map.) (Residue 600: TYR, Nonterminal, was not found in name map.) (Residue 601: GLY, Nonterminal, was not found in name map.) (Residue 602: SER, Nonterminal, was not found in name map.) (Residue 603: PRO, Nonterminal, was not found in name map.) (Residue 604: ASN, Nonterminal, was not found in name map.) (Residue 605: ASP, Nonterminal, was not found in name map.) (Residue 606: GLU, Nonterminal, was not found in name map.) (Residue 607: ILE, Nonterminal, was not found in name map.) (Residue 608: ALA, Nonterminal, was not found in name map.) (Residue 609: GLU, Nonterminal, was not found in name map.) (Residue 610: GLU, Nonterminal, was not found in name map.) (Residue 611: LEU, Nonterminal, was not found in name map.) (Residue 612: TYR, Nonterminal, was not found in name map.) (Residue 613: GLY, Nonterminal, was not found in name map.) (Residue 614: THR, Nonterminal, was not found in name map.) (Residue 615: TYR, Nonterminal, was not found in name map.) (Residue 616: GLU, Nonterminal, was not found in name map.) (Residue 617: TYR, Nonterminal, was not found in name map.) (Residue 618: LEU, Nonterminal, was not found in name map.) (Residue 619: LEU, Nonterminal, was not found in name map.) (Residue 620: GLY, Nonterminal, was not found in name map.) (Residue 621: MET, Nonterminal, was not found in name map.) (Residue 622: ARG, Nonterminal, was not found in name map.) (Residue 623: ILE, Nonterminal, was not found in name map.) (Residue 624: TRP, Nonterminal, was not found in name map.) (Residue 625: SER, Nonterminal, was not found in name map.) (Residue 626: LEU, Nonterminal, was not found in name map.) (Residue 627: THR, Nonterminal, was not found in name map.) (Residue 628: LYS, Nonterminal, was not found in name map.) (Residue 629: GLU, Nonterminal, was not found in name map.) (Residue 630: ARG, Nonterminal, was not found in name map.) (Residue 631: TYR, Nonterminal, was not found in name map.) (Residue 632: GLN, Nonterminal, was not found in name map.) (Residue 633: LYS, Nonterminal, was not found in name map.) (Residue 634: LEU, Nonterminal, was not found in name map.) (Residue 635: LEU, Nonterminal, was not found in name map.) (Residue 636: LYS, Nonterminal, was not found in name map.) (Residue 637: GLN, Nonterminal, was not found in name map.) (Residue 638: LYS, Nonterminal, was not found in name map.) (Residue 639: GLN, Nonterminal, was not found in name map.) (Residue 640: GLU, Nonterminal, was not found in name map.) (Residue 641: LYS, Nonterminal, was not found in name map.) (Residue 642: GLU, Nonterminal, was not found in name map.) (Residue 643: THR, Nonterminal, was not found in name map.) (Residue 644: GLU, Nonterminal, was not found in name map.) (Residue 645: LEU, Nonterminal, was not found in name map.) (Residue 646: GLU, Nonterminal, was not found in name map.) (Residue 647: ASN, Nonterminal, was not found in name map.) (Residue 648: LEU, Nonterminal, was not found in name map.) (Residue 649: LEU, Nonterminal, was not found in name map.) (Residue 650: LYS, Nonterminal, was not found in name map.) (Residue 651: LEU, Nonterminal, was not found in name map.) (Residue 652: SER, Nonterminal, was not found in name map.) (Residue 653: ALA, Nonterminal, was not found in name map.) (Residue 654: LYS, Nonterminal, was not found in name map.) (Residue 655: ASP, Nonterminal, was not found in name map.) (Residue 656: ILE, Nonterminal, was not found in name map.) (Residue 657: TRP, Nonterminal, was not found in name map.) (Residue 658: ASN, Nonterminal, was not found in name map.) (Residue 659: THR, Nonterminal, was not found in name map.) (Residue 660: ASP, Nonterminal, was not found in name map.) (Residue 661: LEU, Nonterminal, was not found in name map.) (Residue 662: LYS, Nonterminal, was not found in name map.) (Residue 663: ALA, Nonterminal, was not found in name map.) (Residue 664: PHE, Nonterminal, was not found in name map.) (Residue 665: GLU, Nonterminal, was not found in name map.) (Residue 666: VAL, Nonterminal, was not found in name map.) (Residue 667: GLY, Nonterminal, was not found in name map.) (Residue 668: TYR, Nonterminal, was not found in name map.) (Residue 669: GLN, Nonterminal, was not found in name map.) (Residue 670: GLU, Nonterminal, was not found in name map.) (Residue 671: PHE, Nonterminal, was not found in name map.) (Residue 672: LEU, Nonterminal, was not found in name map.) (Residue 673: GLN, Nonterminal, was not found in name map.) (Residue 674: ARG, Nonterminal, was not found in name map.) (Residue 675: ASP, Nonterminal, was not found in name map.) (Residue 676: ALA, Nonterminal, was not found in name map.) (Residue 677: GLU, Nonterminal, was not found in name map.) (Residue 678: ALA, Nonterminal, was not found in name map.) Mapped residue ARG, term: Terminal/last, seq. number: 679 to: CARG. Joining NARG - LYS Joining LYS - SER Joining SER - ARG Joining ARG - ILE Joining ILE - THR Joining THR - ASN Joining ASN - TYR Joining TYR - PRO Joining PRO - LYS Joining LYS - LEU Joining LEU - GLU Joining GLU - ASP Joining ASP - ALA Joining ALA - ASN Joining ASN - LYS Joining LYS - ALA Joining ALA - GLY Joining GLY - THR Joining THR - LYS Joining LYS - GLU Joining GLU - GLY Joining GLY - TYR Joining TYR - LYS Joining LYS - CYS Joining CYS - THR Joining THR - LEU Joining LEU - VAL Joining VAL - LEU Joining LEU - THR Joining THR - GLU Joining GLU - GLY Joining GLY - ASP Joining ASP - SER Joining SER - ALA Joining ALA - LEU Joining LEU - SER Joining SER - LEU Joining LEU - ALA Joining ALA - VAL Joining VAL - ALA Joining ALA - GLY Joining GLY - LEU Joining LEU - ALA Joining ALA - VAL Joining VAL - VAL Joining VAL - GLY Joining GLY - ARG Joining ARG - ASP Joining ASP - TYR Joining TYR - TYR Joining TYR - GLY Joining GLY - CYS Joining CYS - TYR Joining TYR - PRO Joining PRO - LEU Joining LEU - ARG Joining ARG - GLY Joining GLY - LYS Joining LYS - MET Joining MET - LEU Joining LEU - ASN Joining ASN - VAL Joining VAL - ARG Joining ARG - GLU Joining GLU - ALA Joining ALA - SER Joining SER - ALA Joining ALA - ASP Joining ASP - GLN Joining GLN - ILE Joining ILE - LEU Joining LEU - LYS Joining LYS - ASN Joining ASN - ALA Joining ALA - GLU Joining GLU - ILE Joining ILE - GLN Joining GLN - ALA Joining ALA - ILE Joining ILE - LYS Joining LYS - LYS Joining LYS - ILE Joining ILE - MET Joining MET - GLY Joining GLY - LEU Joining LEU - GLN Joining GLN - HIE Joining HIE - ARG Joining ARG - LYS Joining LYS - LYS Joining LYS - TYR Joining TYR - GLU Joining GLU - ASP Joining ASP - THR Joining THR - LYS Joining LYS - SER Joining SER - LEU Joining LEU - ARG Joining ARG - TYR Joining TYR - GLY Joining GLY - HID Joining HID - LEU Joining LEU - MET Joining MET - ILE Joining ILE - MET Joining MET - THR Joining THR - ASP Joining ASP - GLN Joining GLN - ASP Joining ASP - HIE Joining HIE - ASP Joining ASP - GLY Joining GLY - SER Joining SER - HIE Joining HIE - ILE Joining ILE - LYS Joining LYS - GLY Joining GLY - LEU Joining LEU - ILE Joining ILE - ILE Joining ILE - ASN Joining ASN - PHE Joining PHE - LEU Joining LEU - GLU Joining GLU - SER Joining SER - SER Joining SER - PHE Joining PHE - LEU Joining LEU - GLY Joining GLY - LEU Joining LEU - LEU Joining LEU - ASP Joining ASP - ILE Joining ILE - GLN Joining GLN - GLY Joining GLY - PHE Joining PHE - LEU Joining LEU - LEU Joining LEU - GLU Joining GLU - PHE Joining PHE - ILE Joining ILE - THR Joining THR - PRO Joining PRO - ILE Joining ILE - ILE Joining ILE - LYS Joining LYS - VAL Joining VAL - SER Joining SER - ILE Joining ILE - THR Joining THR - LYS Joining LYS - PRO Joining PRO - THR Joining THR - LYS Joining LYS - ASN Joining ASN - THR Joining THR - ILE Joining ILE - ALA Joining ALA - PHE Joining PHE - TYR Joining TYR - ASN Joining ASN - MET Joining MET - PRO Joining PRO - ASP Joining ASP - TYR Joining TYR - GLU Joining GLU - LYS Joining LYS - TRP Joining TRP - ARG Joining ARG - GLU Joining GLU - GLU Joining GLU - GLU Joining GLU - SER Joining SER - HIE Joining HIE - LYS Joining LYS - PHE Joining PHE - THR Joining THR - TRP Joining TRP - LYS Joining LYS - GLN Joining GLN - LYS Joining LYS - TYR Joining TYR - TYR Joining TYR - LYS Joining LYS - GLY Joining GLY - LEU Joining LEU - GLY Joining GLY - THR Joining THR - SER Joining SER - LEU Joining LEU - ALA Joining ALA - GLN Joining GLN - GLU Joining GLU - VAL Joining VAL - ARG Joining ARG - GLU Joining GLU - TYR Joining TYR - PHE Joining PHE - SER Joining SER - ASN Joining ASN - LEU Joining LEU - ASP Joining ASP - ARG Joining ARG - HIE Joining HIE - LEU Joining LEU - LYS Joining LYS - ILE Joining ILE - PHE Joining PHE - HIE Joining HIE - SER Joining SER - LEU Joining LEU - GLN Joining GLN - GLY Joining GLY - LEU Joining LEU - PHE Joining PHE - SER Joining SER - LEU Joining LEU - ALA Joining ALA - ASP Joining ASP - ASN Joining ASN - ILE Joining ILE - ARG Joining ARG - SER Joining SER - ILE Joining ILE - PRO Joining PRO - ASN Joining ASN - VAL Joining VAL - LEU Joining LEU - ASP Joining ASP - GLY Joining GLY - PHE Joining PHE - LYS Joining LYS - PRO Joining PRO - GLY Joining GLY - GLN Joining GLN - ARG Joining ARG - LYS Joining LYS - VAL Joining VAL - LEU Joining LEU - TYR Joining TYR - GLY Joining GLY - CYS Joining CYS - PHE Joining PHE - LYS Joining LYS - LYS Joining LYS - ASN Joining ASN - LEU Joining LEU - LYS Joining LYS - SER Joining SER - GLU Joining GLU - LEU Joining LEU - LYS Joining LYS - VAL Joining VAL - ALA Joining ALA - GLN Joining GLN - LEU Joining LEU - ALA Joining ALA - PRO Joining PRO - TYR Joining TYR - VAL Joining VAL - SER Joining SER - GLU Joining GLU - CYS Joining CYS - THR Joining THR - ALA Joining ALA - TYR Joining TYR - HIE Joining HIE - HIE Joining HIE - GLY Joining GLY - GLU Joining GLU - GLN Joining GLN - SER Joining SER - LEU Joining LEU - ALA Joining ALA - GLN Joining GLN - THR Joining THR - ILE Joining ILE - ILE Joining ILE - GLY Joining GLY - LEU Joining LEU - ALA Joining ALA - GLN Joining GLN - ASN Joining ASN - PHE Joining PHE - VAL Joining VAL - GLY Joining GLY - SER Joining SER - ASN Joining ASN - ASN Joining ASN - ILE Joining ILE - TYR Joining TYR - LEU Joining LEU - LEU Joining LEU - LEU Joining LEU - PRO Joining PRO - ASN Joining ASN - GLY Joining GLY - ALA Joining ALA - PHE Joining PHE - GLY Joining GLY - THR Joining THR - ARG Joining ARG - ALA Joining ALA - THR Joining THR - GLY Joining GLY - GLY Joining GLY - LYS Joining LYS - ASP Joining ASP - ALA Joining ALA - ALA Joining ALA - ALA Joining ALA - ALA Joining ALA - ARG Joining ARG - TYR Joining TYR - ILE Joining ILE - TYR Joining TYR - THR Joining THR - GLU Joining GLU - LEU Joining LEU - ASN Joining ASN - LYS Joining LYS - LEU Joining LEU - THR Joining THR - ARG Joining ARG - LYS Joining LYS - ILE Joining ILE - PHE Joining PHE - HIE Joining HIE - PRO Joining PRO - ALA Joining ALA - ASP Joining ASP - ASP Joining ASP - PRO Joining PRO - LEU Joining LEU - TYR Joining TYR - LYS Joining LYS - TYR Joining TYR - ILE Joining ILE - GLN Joining GLN - GLU Joining GLU - ASP Joining ASP - GLU Joining GLU - LYS Joining LYS - THR Joining THR - VAL Joining VAL - GLU Joining GLU - PRO Joining PRO - GLU Joining GLU - TRP Joining TRP - TYR Joining TYR - LEU Joining LEU - PRO Joining PRO - ILE Joining ILE - LEU Joining LEU - PRO Joining PRO - MET Joining MET - ILE Joining ILE - LEU Joining LEU - VAL Joining VAL - ASN Joining ASN - GLY Joining GLY - ALA Joining ALA - GLU Joining GLU - GLY Joining GLY - ILE Joining ILE - GLY Joining GLY - THR Joining THR - GLY Joining GLY - TRP Joining TRP - SER Joining SER - THR Joining THR - TYR Joining TYR - ILE Joining ILE - PRO Joining PRO - PRO Joining PRO - PHE Joining PHE - ASN Joining ASN - PRO Joining PRO - LEU Joining LEU - GLU Joining GLU - ILE Joining ILE - ILE Joining ILE - LYS Joining LYS - ASN Joining ASN - ILE Joining ILE - ARG Joining ARG - HIP Joining HIP - LEU Joining LEU - MET Joining MET - ASN Joining ASN - ASP Joining ASP - GLU Joining GLU - GLU Joining GLU - LEU Joining LEU - GLU Joining GLU - GLN Joining GLN - MET Joining MET - HIE Joining HIE - PRO Joining PRO - TRP Joining TRP - PHE Joining PHE - ARG Joining ARG - GLY Joining GLY - TRP Joining TRP - THR Joining THR - GLY Joining GLY - THR Joining THR - ILE Joining ILE - GLU Joining GLU - GLU Joining GLU - ILE Joining ILE - GLU Joining GLU - PRO Joining PRO - LEU Joining LEU - ARG Joining ARG - TYR Joining TYR - ARG Joining ARG - MET Joining MET - TYR Joining TYR - GLY Joining GLY - ARG Joining ARG - ILE Joining ILE - GLU Joining GLU - GLN Joining GLN - ILE Joining ILE - GLY Joining GLY - ASP Joining ASP - ASN Joining ASN - VAL Joining VAL - LEU Joining LEU - GLU Joining GLU - ILE Joining ILE - THR Joining THR - GLU Joining GLU - LEU Joining LEU - PRO Joining PRO - ALA Joining ALA - ARG Joining ARG - THR Joining THR - TRP Joining TRP - THR Joining THR - SER Joining SER - THR Joining THR - ILE Joining ILE - LYS Joining LYS - GLU Joining GLU - TYR Joining TYR - LEU Joining LEU - LEU Joining LEU - LEU Joining LEU - GLY Joining GLY - LEU Joining LEU - SER Joining SER - GLY Joining GLY - ASN Joining ASN - ASP Joining ASP - LYS Joining LYS - ILE Joining ILE - LYS Joining LYS - PRO Joining PRO - TRP Joining TRP - ILE Joining ILE - LYS Joining LYS - ASP Joining ASP - MET Joining MET - GLU Joining GLU - GLU Joining GLU - GLN Joining GLN - HIE Joining HIE - ASP Joining ASP - ASP Joining ASP - ASN Joining ASN - ILE Joining ILE - LYS Joining LYS - PHE Joining PHE - ILE Joining ILE - ILE Joining ILE - THR Joining THR - LEU Joining LEU - SER Joining SER - PRO Joining PRO - GLU Joining GLU - GLU Joining GLU - MET Joining MET - ALA Joining ALA - LYS Joining LYS - THR Joining THR - ARG Joining ARG - LYS Joining LYS - ILE Joining ILE - GLY Joining GLY - PHE Joining PHE - TYR Joining TYR - GLU Joining GLU - ARG Joining ARG - PHE Joining PHE - LYS Joining LYS - LEU Joining LEU - ILE Joining ILE - SER Joining SER - PRO Joining PRO - ILE Joining ILE - SER Joining SER - LEU Joining LEU - MET Joining MET - ASN Joining ASN - MET Joining MET - VAL Joining VAL - ALA Joining ALA - PHE Joining PHE - ASP Joining ASP - PRO Joining PRO - HIE Joining HIE - GLY Joining GLY - LYS Joining LYS - ILE Joining ILE - LYS Joining LYS - LYS Joining LYS - TYR Joining TYR - ASN Joining ASN - SER Joining SER - VAL Joining VAL - ASN Joining ASN - GLU Joining GLU - ILE Joining ILE - LEU Joining LEU - SER Joining SER - GLU Joining GLU - PHE Joining PHE - TYR Joining TYR - TYR Joining TYR - VAL Joining VAL - ARG Joining ARG - LEU Joining LEU - GLU Joining GLU - TYR Joining TYR - TYR Joining TYR - GLN Joining GLN - LYS Joining LYS - ARG Joining ARG - LYS Joining LYS - ASP Joining ASP - HIE Joining HIE - MET Joining MET - SER Joining SER - GLU Joining GLU - ARG Joining ARG - LEU Joining LEU - GLN Joining GLN - TRP Joining TRP - GLU Joining GLU - VAL Joining VAL - GLU Joining GLU - LYS Joining LYS - TYR Joining TYR - SER Joining SER - PHE Joining PHE - GLN Joining GLN - VAL Joining VAL - LYS Joining LYS - PHE Joining PHE - ILE Joining ILE - LYS Joining LYS - MET Joining MET - ILE Joining ILE - ILE Joining ILE - GLU Joining GLU - LYS Joining LYS - GLU Joining GLU - LEU Joining LEU - THR Joining THR - VAL Joining VAL - THR Joining THR - ASN Joining ASN - LYS Joining LYS - PRO Joining PRO - ARG Joining ARG - ASN Joining ASN - ALA Joining ALA - ILE Joining ILE - ILE Joining ILE - GLN Joining GLN - GLU Joining GLU - LEU Joining LEU - GLU Joining GLU - ASN Joining ASN - LEU Joining LEU - GLY Joining GLY - PHE Joining PHE - PRO Joining PRO - ARG Joining ARG - PHE Joining PHE - ASN Joining ASN - LYS Joining LYS - GLU Joining GLU - GLY Joining GLY - LYS Joining LYS - PRO Joining PRO - TYR Joining TYR - TYR Joining TYR - GLY Joining GLY - SER Joining SER - PRO Joining PRO - ASN Joining ASN - ASP Joining ASP - GLU Joining GLU - ILE Joining ILE - ALA Joining ALA - GLU Joining GLU - GLU Joining GLU - LEU Joining LEU - TYR Joining TYR - GLY Joining GLY - THR Joining THR - TYR Joining TYR - GLU Joining GLU - TYR Joining TYR - LEU Joining LEU - LEU Joining LEU - GLY Joining GLY - MET Joining MET - ARG Joining ARG - ILE Joining ILE - TRP Joining TRP - SER Joining SER - LEU Joining LEU - THR Joining THR - LYS Joining LYS - GLU Joining GLU - ARG Joining ARG - TYR Joining TYR - GLN Joining GLN - LYS Joining LYS - LEU Joining LEU - LEU Joining LEU - LYS Joining LYS - GLN Joining GLN - LYS Joining LYS - GLN Joining GLN - GLU Joining GLU - LYS Joining LYS - GLU Joining GLU - THR Joining THR - GLU Joining GLU - LEU Joining LEU - GLU Joining GLU - ASN Joining ASN - LEU Joining LEU - LEU Joining LEU - LYS Joining LYS - LEU Joining LEU - SER Joining SER - ALA Joining ALA - LYS Joining LYS - ASP Joining ASP - ILE Joining ILE - TRP Joining TRP - ASN Joining ASN - THR Joining THR - ASP Joining ASP - LEU Joining LEU - LYS Joining LYS - ALA Joining ALA - PHE Joining PHE - GLU Joining GLU - VAL Joining VAL - GLY Joining GLY - TYR Joining TYR - GLN Joining GLN - GLU Joining GLU - PHE Joining PHE - LEU Joining LEU - GLN Joining GLN - ARG Joining ARG - ASP Joining ASP - ALA Joining ALA - GLU Joining GLU - ALA Joining ALA - CARG total atoms in file: 11188 > saveamberparm trx amber-724768-A-wild.pdb.top amber-724768-A-wild.pdb.crd Checking Unit. WARNING: There is a bond of 3.520033 angstroms between: ------- .R.A and .R.A WARNING: There is a bond of 3.923969 angstroms between: ------- .R.A and .R.A WARNING: There is a bond of 4.110450 angstroms between: ------- .R.A and .R.A WARNING: The unperturbed charge of the unit: 3.999999 is not zero. -- ignoring the warnings. Building topology. Building atom parameters. Building bond parameters. Building angle parameters. Building proper torsion parameters. Building improper torsion parameters. ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 total 2230 improper torsions applied Building H-Bond parameters. Not Marking per-residue atom chain types. Marking per-residue atom chain types. (Residues lacking connect0/connect1 - these don't have chain types marked: res total affected CARG 1 NARG 1 ) (no restraints) > quit Quit