log started: Tue Jan 27 12:25:46 2009 Log file: ./leap.log >> # >> # ----- leaprc for loading the ff99SB (Hornak & Simmerling) 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" } >> { "CG" "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" } >> { "EP" "" "sp3" } >> # glycam >> { "OG" "O" "sp3" } >> { "OL" "O" "sp3" } >> { "AC" "C" "sp3" } >> { "EC" "C" "sp3" } >> } >> # >> # Load the main parameter set. >> # >> parm99 = loadamberparams parm99.dat Loading parameters: /usr/local/amber9//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: IM) (UNKNOWN ATOM TYPE: Li) (UNKNOWN ATOM TYPE: IP) (UNKNOWN ATOM TYPE: K) (UNKNOWN ATOM TYPE: Rb) (UNKNOWN ATOM TYPE: Cs) (UNKNOWN ATOM TYPE: Zn) (UNKNOWN ATOM TYPE: IB) (UNKNOWN ATOM TYPE: LP) >> frcmod99SB = loadamberparams frcmod.ff99SB Loading parameters: /usr/local/amber9//dat/leap/parm/frcmod.ff99SB Reading force field modification type file (frcmod) Reading title: Modification/update of parm99.dat (Hornak & Simmerling) >> # >> # Load DNA/RNA libraries >> # >> loadOff all_nucleic94.lib Loading library: /usr/local/amber9//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 (i.e. ff94 libs) >> # >> loadOff all_amino94.lib Loading library: /usr/local/amber9//dat/leap/lib/all_amino94.lib 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: PHE Loading: PRO Loading: SER Loading: THR Loading: TRP Loading: TYR Loading: VAL >> loadOff all_aminoct94.lib Loading library: /usr/local/amber9//dat/leap/lib/all_aminoct94.lib Loading: CALA Loading: CARG Loading: CASN Loading: CASP Loading: CCYS Loading: CCYX 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_aminont94.lib Loading library: /usr/local/amber9//dat/leap/lib/all_aminont94.lib Loading: ACE Loading: NALA Loading: NARG Loading: NASN Loading: NASP Loading: NCYS Loading: NCYX 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 >> # >> # Load water and ions >> # >> loadOff ions94.lib Loading library: /usr/local/amber9//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: /usr/local/amber9//dat/leap/lib/solvents.lib Loading: CHCL3BOX Loading: DC4 Loading: MEOHBOX Loading: NMABOX Loading: PL3 Loading: POL3BOX Loading: SPC Loading: SPCBOX Loading: SPCFWBOX Loading: SPF Loading: T4E Loading: TIP3PBOX Loading: TIP4PBOX Loading: TIP4PEWBOX Loading: TP3 Loading: TP4 Loading: TP5 >> HOH = TP3 >> WAT = TP3 >> >> # >> # 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" "DG5" } { 1 "G" "DG3" } { "G" "DG" } { "GN" "DGN" } >> { 0 "A" "DA5" } { 1 "A" "DA3" } { "A" "DA" } { "AN" "DAN" } >> { 0 "C" "DC5" } { 1 "C" "DC3" } { "C" "DC" } { "CN" "DCN" } >> { 0 "T" "DT5" } { 1 "T" "DT3" } { "T" "DT" } { "TN" "DTN" } >> { 0 "C5" "DC5" } >> { 0 "G5" "DG5" } >> { 0 "A5" "DA5" } >> { 0 "T5" "DT5" } >> { 1 "C3" "DC3" } >> { 1 "G3" "DG3" } >> { 1 "A3" "DA3" } >> { 1 "T3" "DT3" } >> >> } >> >> addPdbAtomMap { >> { "O5*" "O5'" } >> { "C5*" "C5'" } >> { "C4*" "C4'" } >> { "O4*" "O4'" } >> { "C3*" "C3'" } >> { "O3*" "O3'" } >> { "C2*" "C2'" } >> { "C1*" "C1'" } >> { "C5M" "C7" } >> { "H1*" "H1'" } >> { "H2*1" "H2'1" } >> { "H2*2" "H2'2" } >> { "H3*" "H3'" } >> { "H4*" "H4'" } >> { "H5*1" "H5'1" } >> { "H5*2" "H5'2" } >> # old ff atom names -> new >> { "O1'" "O4'" } >> { "OA" "O1P" } >> { "OB" "O2P" } >> } >> >> >> # >> # assumed that most often proteins use HIE >> # >> NHIS = NHIE >> HIS = HIE >> CHIS = CHIE > > quit Quit log started: Tue Jan 27 12:29:43 2009 Log file: ./leap.log >> # >> # ----- leaprc for loading the ff99SB (Hornak & Simmerling) 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" } >> { "CG" "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" } >> { "EP" "" "sp3" } >> # glycam >> { "OG" "O" "sp3" } >> { "OL" "O" "sp3" } >> { "AC" "C" "sp3" } >> { "EC" "C" "sp3" } >> } >> # >> # Load the main parameter set. >> # >> parm99 = loadamberparams parm99.dat Loading parameters: /usr/local/amber9//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: IM) (UNKNOWN ATOM TYPE: Li) (UNKNOWN ATOM TYPE: IP) (UNKNOWN ATOM TYPE: K) (UNKNOWN ATOM TYPE: Rb) (UNKNOWN ATOM TYPE: Cs) (UNKNOWN ATOM TYPE: Zn) (UNKNOWN ATOM TYPE: IB) (UNKNOWN ATOM TYPE: LP) >> frcmod99SB = loadamberparams frcmod.ff99SB Loading parameters: /usr/local/amber9//dat/leap/parm/frcmod.ff99SB Reading force field modification type file (frcmod) Reading title: Modification/update of parm99.dat (Hornak & Simmerling) >> # >> # Load DNA/RNA libraries >> # >> loadOff all_nucleic94.lib Loading library: /usr/local/amber9//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 (i.e. ff94 libs) >> # >> loadOff all_amino94.lib Loading library: /usr/local/amber9//dat/leap/lib/all_amino94.lib 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: PHE Loading: PRO Loading: SER Loading: THR Loading: TRP Loading: TYR Loading: VAL >> loadOff all_aminoct94.lib Loading library: /usr/local/amber9//dat/leap/lib/all_aminoct94.lib Loading: CALA Loading: CARG Loading: CASN Loading: CASP Loading: CCYS Loading: CCYX 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_aminont94.lib Loading library: /usr/local/amber9//dat/leap/lib/all_aminont94.lib Loading: ACE Loading: NALA Loading: NARG Loading: NASN Loading: NASP Loading: NCYS Loading: NCYX 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 >> # >> # Load water and ions >> # >> loadOff ions94.lib Loading library: /usr/local/amber9//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: /usr/local/amber9//dat/leap/lib/solvents.lib Loading: CHCL3BOX Loading: DC4 Loading: MEOHBOX Loading: NMABOX Loading: PL3 Loading: POL3BOX Loading: SPC Loading: SPCBOX Loading: SPCFWBOX Loading: SPF Loading: T4E Loading: TIP3PBOX Loading: TIP4PBOX Loading: TIP4PEWBOX Loading: TP3 Loading: TP4 Loading: TP5 >> HOH = TP3 >> WAT = TP3 >> >> # >> # 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" "DG5" } { 1 "G" "DG3" } { "G" "DG" } { "GN" "DGN" } >> { 0 "A" "DA5" } { 1 "A" "DA3" } { "A" "DA" } { "AN" "DAN" } >> { 0 "C" "DC5" } { 1 "C" "DC3" } { "C" "DC" } { "CN" "DCN" } >> { 0 "T" "DT5" } { 1 "T" "DT3" } { "T" "DT" } { "TN" "DTN" } >> { 0 "C5" "DC5" } >> { 0 "G5" "DG5" } >> { 0 "A5" "DA5" } >> { 0 "T5" "DT5" } >> { 1 "C3" "DC3" } >> { 1 "G3" "DG3" } >> { 1 "A3" "DA3" } >> { 1 "T3" "DT3" } >> >> } >> >> addPdbAtomMap { >> { "O5*" "O5'" } >> { "C5*" "C5'" } >> { "C4*" "C4'" } >> { "O4*" "O4'" } >> { "C3*" "C3'" } >> { "O3*" "O3'" } >> { "C2*" "C2'" } >> { "C1*" "C1'" } >> { "C5M" "C7" } >> { "H1*" "H1'" } >> { "H2*1" "H2'1" } >> { "H2*2" "H2'2" } >> { "H3*" "H3'" } >> { "H4*" "H4'" } >> { "H5*1" "H5'1" } >> { "H5*2" "H5'2" } >> # old ff atom names -> new >> { "O1'" "O4'" } >> { "OA" "O1P" } >> { "OB" "O2P" } >> } >> >> >> # >> # assumed that most often proteins use HIE >> # >> NHIS = NHIE >> HIS = HIE >> CHIS = CHIE > > prot = loadpdb qu2-mod_mod.pdb Loading PDB file: ./qu2-mod_mod.pdb Enter zPdbReadScan from call depth 0. Warning: name change in pdb file residue 0 ; this residue is split into RG5 and RG. Warning: name change in pdb file residue 0 ; this residue is split into RG and RC. Warning: name change in pdb file residue 0 ; this residue is split into RC and RU. Warning: name change in pdb file residue 0 ; this residue is split into RU and RG. Warning: name change in pdb file residue 0 ; this residue is split into RG and RU. Warning: name change in pdb file residue 0 ; this residue is split into RU and RA. Warning: name change in pdb file residue 0 ; this residue is split into RA and RG. Warning: name change in pdb file residue 0 ; this residue is split into RG and RC. Warning: name change in pdb file residue 0 ; this residue is split into RC and RU. Warning: name change in pdb file residue 0 ; this residue is split into RU and RC. Warning: name change in pdb file residue 0 ; this residue is split into RC and RA. Warning: name change in pdb file residue 0 ; this residue is split into RA and RG. log started: Tue Jan 27 13:17:54 2009 Log file: ./leap.log >> # >> # ----- leaprc for loading the ff99SB (Hornak & Simmerling) 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" } >> { "CG" "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" } >> { "EP" "" "sp3" } >> # glycam >> { "OG" "O" "sp3" } >> { "OL" "O" "sp3" } >> { "AC" "C" "sp3" } >> { "EC" "C" "sp3" } >> } >> # >> # Load the main parameter set. >> # >> parm99 = loadamberparams parm99.dat Loading parameters: /usr/local/amber9//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: IM) (UNKNOWN ATOM TYPE: Li) (UNKNOWN ATOM TYPE: IP) (UNKNOWN ATOM TYPE: K) (UNKNOWN ATOM TYPE: Rb) (UNKNOWN ATOM TYPE: Cs) (UNKNOWN ATOM TYPE: Zn) (UNKNOWN ATOM TYPE: IB) (UNKNOWN ATOM TYPE: LP) >> frcmod99SB = loadamberparams frcmod.ff99SB Loading parameters: /usr/local/amber9//dat/leap/parm/frcmod.ff99SB Reading force field modification type file (frcmod) Reading title: Modification/update of parm99.dat (Hornak & Simmerling) >> # >> # Load DNA/RNA libraries >> # >> loadOff all_nucleic94.lib Loading library: /usr/local/amber9//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 (i.e. ff94 libs) >> # >> loadOff all_amino94.lib Loading library: /usr/local/amber9//dat/leap/lib/all_amino94.lib 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: PHE Loading: PRO Loading: SER Loading: THR Loading: TRP Loading: TYR Loading: VAL >> loadOff all_aminoct94.lib Loading library: /usr/local/amber9//dat/leap/lib/all_aminoct94.lib Loading: CALA Loading: CARG Loading: CASN Loading: CASP Loading: CCYS Loading: CCYX 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_aminont94.lib Loading library: /usr/local/amber9//dat/leap/lib/all_aminont94.lib Loading: ACE Loading: NALA Loading: NARG Loading: NASN Loading: NASP Loading: NCYS Loading: NCYX 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 >> # >> # Load water and ions >> # >> loadOff ions94.lib Loading library: /usr/local/amber9//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: /usr/local/amber9//dat/leap/lib/solvents.lib Loading: CHCL3BOX Loading: DC4 Loading: MEOHBOX Loading: NMABOX Loading: PL3 Loading: POL3BOX Loading: SPC Loading: SPCBOX Loading: SPCFWBOX Loading: SPF Loading: T4E Loading: TIP3PBOX Loading: TIP4PBOX Loading: TIP4PEWBOX Loading: TP3 Loading: TP4 Loading: TP5 >> HOH = TP3 >> WAT = TP3 >> >> # >> # 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" "DG5" } { 1 "G" "DG3" } { "G" "DG" } { "GN" "DGN" } >> { 0 "A" "DA5" } { 1 "A" "DA3" } { "A" "DA" } { "AN" "DAN" } >> { 0 "C" "DC5" } { 1 "C" "DC3" } { "C" "DC" } { "CN" "DCN" } >> { 0 "T" "DT5" } { 1 "T" "DT3" } { "T" "DT" } { "TN" "DTN" } >> { 0 "C5" "DC5" } >> { 0 "G5" "DG5" } >> { 0 "A5" "DA5" } >> { 0 "T5" "DT5" } >> { 1 "C3" "DC3" } >> { 1 "G3" "DG3" } >> { 1 "A3" "DA3" } >> { 1 "T3" "DT3" } >> >> } >> >> addPdbAtomMap { >> { "O5*" "O5'" } >> { "C5*" "C5'" } >> { "C4*" "C4'" } >> { "O4*" "O4'" } >> { "C3*" "C3'" } >> { "O3*" "O3'" } >> { "C2*" "C2'" } >> { "C1*" "C1'" } >> { "C5M" "C7" } >> { "H1*" "H1'" } >> { "H2*1" "H2'1" } >> { "H2*2" "H2'2" } >> { "H3*" "H3'" } >> { "H4*" "H4'" } >> { "H5*1" "H5'1" } >> { "H5*2" "H5'2" } >> # old ff atom names -> new >> { "O1'" "O4'" } >> { "OA" "O1P" } >> { "OB" "O2P" } >> } >> >> >> # >> # assumed that most often proteins use HIE >> # >> NHIS = NHIE >> HIS = HIE >> CHIS = CHIE > > prot = loadpdb qu2-mod.pdb Loading PDB file: ./qu2-mod.pdb Enter zPdbReadScan from call depth 0. Exit zPdbReadScan from call depth 0. Matching PDB residue names to LEaP variables. Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET. (Residue 1: ASP, Nonterminal, was not found in name map.) (Residue 2: TYR, Nonterminal, was not found in name map.) (Residue 3: GLU, Nonterminal, was not found in name map.) (Residue 4: LYS, Nonterminal, was not found in name map.) (Residue 5: THR, Nonterminal, was not found in name map.) (Residue 6: LEU, Nonterminal, was not found in name map.) (Residue 7: LEU, Nonterminal, was not found in name map.) (Residue 8: MET, Nonterminal, was not found in name map.) (Residue 9: PRO, Nonterminal, was not found in name map.) (Residue 10: LYS, Nonterminal, was not found in name map.) (Residue 11: THR, Nonterminal, was not found in name map.) (Residue 12: ASP, Nonterminal, was not found in name map.) (Residue 13: PHE, Nonterminal, was not found in name map.) (Residue 14: PRO, Nonterminal, was not found in name map.) (Residue 15: MET, Nonterminal, was not found in name map.) (Residue 16: ARG, Nonterminal, was not found in name map.) (Residue 17: GLY, Nonterminal, was not found in name map.) (Residue 18: GLY, Nonterminal, was not found in name map.) (Residue 19: LEU, Nonterminal, was not found in name map.) (Residue 20: PRO, Nonterminal, was not found in name map.) (Residue 21: ASN, Nonterminal, was not found in name map.) (Residue 22: LYS, Nonterminal, was not found in name map.) (Residue 23: GLU, Nonterminal, was not found in name map.) (Residue 24: PRO, Nonterminal, was not found in name map.) (Residue 25: GLN, Nonterminal, was not found in name map.) (Residue 26: ILE, Nonterminal, was not found in name map.) (Residue 27: GLN, Nonterminal, was not found in name map.) (Residue 28: GLU, Nonterminal, was not found in name map.) (Residue 29: LYS, Nonterminal, was not found in name map.) (Residue 30: TRP, Nonterminal, was not found in name map.) (Residue 31: ASP, Nonterminal, was not found in name map.) (Residue 32: ALA, Nonterminal, was not found in name map.) (Residue 33: GLU, Nonterminal, was not found in name map.) (Residue 34: ASP, Nonterminal, was not found in name map.) (Residue 35: GLN, Nonterminal, was not found in name map.) (Residue 36: TYR, Nonterminal, was not found in name map.) (Residue 37: HIS, Nonterminal, was not found in name map.) (Residue 38: LYS, Nonterminal, was not found in name map.) (Residue 39: ALA, Nonterminal, was not found in name map.) (Residue 40: LEU, Nonterminal, was not found in name map.) (Residue 41: GLU, Nonterminal, was not found in name map.) (Residue 42: LYS, Nonterminal, was not found in name map.) (Residue 43: ASN, Nonterminal, was not found in name map.) (Residue 44: LYS, Nonterminal, was not found in name map.) (Residue 45: GLY, Nonterminal, was not found in name map.) (Residue 46: ASN, Nonterminal, was not found in name map.) (Residue 47: GLU, Nonterminal, was not found in name map.) (Residue 48: THR, Nonterminal, was not found in name map.) (Residue 49: PHE, Nonterminal, was not found in name map.) (Residue 50: ILE, Nonterminal, was not found in name map.) (Residue 51: LEU, Nonterminal, was not found in name map.) (Residue 52: HIS, Nonterminal, was not found in name map.) (Residue 53: ASP, Nonterminal, was not found in name map.) (Residue 54: GLY, Nonterminal, was not found in name map.) (Residue 55: PRO, Nonterminal, was not found in name map.) (Residue 56: PRO, Nonterminal, was not found in name map.) (Residue 57: TYR, Nonterminal, was not found in name map.) (Residue 58: ALA, Nonterminal, was not found in name map.) (Residue 59: ASN, Nonterminal, was not found in name map.) (Residue 60: GLY, Nonterminal, was not found in name map.) (Residue 61: ASN, Nonterminal, was not found in name map.) (Residue 62: LEU, Nonterminal, was not found in name map.) (Residue 63: HIS, Nonterminal, was not found in name map.) (Residue 64: MET, Nonterminal, was not found in name map.) (Residue 65: GLY, Nonterminal, was not found in name map.) (Residue 66: HIS, Nonterminal, was not found in name map.) (Residue 67: ALA, Nonterminal, was not found in name map.) (Residue 68: LEU, Nonterminal, was not found in name map.) (Residue 69: ASN, Nonterminal, was not found in name map.) (Residue 70: LYS, Nonterminal, was not found in name map.) (Residue 71: ILE, Nonterminal, was not found in name map.) (Residue 72: LEU, Nonterminal, was not found in name map.) (Residue 73: LYS, Nonterminal, was not found in name map.) (Residue 74: ASP, Nonterminal, was not found in name map.) (Residue 75: PHE, Nonterminal, was not found in name map.) (Residue 76: ILE, Nonterminal, was not found in name map.) (Residue 77: VAL, Nonterminal, was not found in name map.) (Residue 78: ARG, Nonterminal, was not found in name map.) (Residue 79: TYR, Nonterminal, was not found in name map.) (Residue 80: LYS, Nonterminal, was not found in name map.) (Residue 81: THR, Nonterminal, was not found in name map.) (Residue 82: MET, Nonterminal, was not found in name map.) (Residue 83: GLN, Nonterminal, was not found in name map.) (Residue 84: GLY, Nonterminal, was not found in name map.) (Residue 85: PHE, Nonterminal, was not found in name map.) (Residue 86: TYR, Nonterminal, was not found in name map.) (Residue 87: ALA, Nonterminal, was not found in name map.) (Residue 88: PRO, Nonterminal, was not found in name map.) (Residue 89: TYR, Nonterminal, was not found in name map.) (Residue 90: VAL, Nonterminal, was not found in name map.) (Residue 91: PRO, Nonterminal, was not found in name map.) (Residue 92: GLY, Nonterminal, was not found in name map.) (Residue 93: TRP, Nonterminal, was not found in name map.) (Residue 94: ASP, Nonterminal, was not found in name map.) (Residue 95: THR, Nonterminal, was not found in name map.) (Residue 96: HIS, Nonterminal, was not found in name map.) (Residue 97: GLY, Nonterminal, was not found in name map.) (Residue 98: LEU, Nonterminal, was not found in name map.) (Residue 99: PRO, Nonterminal, was not found in name map.) (Residue 100: ILE, Nonterminal, was not found in name map.) (Residue 101: GLU, Nonterminal, was not found in name map.) (Residue 102: GLN, Nonterminal, was not found in name map.) (Residue 103: ALA, Nonterminal, was not found in name map.) (Residue 104: LEU, Nonterminal, was not found in name map.) (Residue 105: THR, Nonterminal, was not found in name map.) (Residue 106: LYS, Nonterminal, was not found in name map.) (Residue 107: LYS, Nonterminal, was not found in name map.) (Residue 108: GLY, Nonterminal, was not found in name map.) (Residue 109: VAL, Nonterminal, was not found in name map.) (Residue 110: ASP, Nonterminal, was not found in name map.) (Residue 111: ARG, Nonterminal, was not found in name map.) (Residue 112: LYS, Nonterminal, was not found in name map.) (Residue 113: LYS, Nonterminal, was not found in name map.) (Residue 114: MET, Nonterminal, was not found in name map.) (Residue 115: SER, Nonterminal, was not found in name map.) (Residue 116: THR, Nonterminal, was not found in name map.) (Residue 117: ALA, Nonterminal, was not found in name map.) (Residue 118: GLU, Nonterminal, was not found in name map.) (Residue 119: PHE, Nonterminal, was not found in name map.) (Residue 120: ARG, Nonterminal, was not found in name map.) (Residue 121: GLU, Nonterminal, was not found in name map.) (Residue 122: LYS, Nonterminal, was not found in name map.) (Residue 123: CYS, Nonterminal, was not found in name map.) (Residue 124: LYS, Nonterminal, was not found in name map.) (Residue 125: GLU, Nonterminal, was not found in name map.) (Residue 126: PHE, Nonterminal, was not found in name map.) (Residue 127: ALA, Nonterminal, was not found in name map.) (Residue 128: LEU, Nonterminal, was not found in name map.) (Residue 129: GLU, Nonterminal, was not found in name map.) (Residue 130: GLN, Nonterminal, was not found in name map.) (Residue 131: ILE, Nonterminal, was not found in name map.) (Residue 132: GLU, Nonterminal, was not found in name map.) (Residue 133: LEU, Nonterminal, was not found in name map.) (Residue 134: GLN, Nonterminal, was not found in name map.) (Residue 135: LYS, Nonterminal, was not found in name map.) (Residue 136: LYS, Nonterminal, was not found in name map.) (Residue 137: ASP, Nonterminal, was not found in name map.) (Residue 138: PHE, Nonterminal, was not found in name map.) (Residue 139: ARG, Nonterminal, was not found in name map.) (Residue 140: ARG, Nonterminal, was not found in name map.) (Residue 141: LEU, Nonterminal, was not found in name map.) (Residue 142: GLY, Nonterminal, was not found in name map.) (Residue 143: VAL, Nonterminal, was not found in name map.) (Residue 144: ARG, Nonterminal, was not found in name map.) (Residue 145: GLY, Nonterminal, was not found in name map.) (Residue 146: ASP, Nonterminal, was not found in name map.) (Residue 147: PHE, Nonterminal, was not found in name map.) (Residue 148: ASN, Nonterminal, was not found in name map.) (Residue 149: ASP, Nonterminal, was not found in name map.) (Residue 150: PRO, Nonterminal, was not found in name map.) (Residue 151: TYR, Nonterminal, was not found in name map.) (Residue 152: ILE, Nonterminal, was not found in name map.) (Residue 153: THR, Nonterminal, was not found in name map.) (Residue 154: LEU, Nonterminal, was not found in name map.) (Residue 155: LYS, Nonterminal, was not found in name map.) (Residue 156: PRO, Nonterminal, was not found in name map.) (Residue 157: GLU, Nonterminal, was not found in name map.) (Residue 158: TYR, Nonterminal, was not found in name map.) (Residue 159: GLU, Nonterminal, was not found in name map.) (Residue 160: ALA, Nonterminal, was not found in name map.) (Residue 161: ALA, Nonterminal, was not found in name map.) (Residue 162: GLN, Nonterminal, was not found in name map.) (Residue 163: ILE, Nonterminal, was not found in name map.) (Residue 164: ARG, Nonterminal, was not found in name map.) (Residue 165: ILE, Nonterminal, was not found in name map.) (Residue 166: PHE, Nonterminal, was not found in name map.) (Residue 167: GLY, Nonterminal, was not found in name map.) (Residue 168: GLU, Nonterminal, was not found in name map.) (Residue 169: MET, Nonterminal, was not found in name map.) (Residue 170: ALA, Nonterminal, was not found in name map.) (Residue 171: ASP, Nonterminal, was not found in name map.) (Residue 172: LYS, Nonterminal, was not found in name map.) (Residue 173: GLY, Nonterminal, was not found in name map.) (Residue 174: LEU, Nonterminal, was not found in name map.) (Residue 175: ILE, Nonterminal, was not found in name map.) (Residue 176: TYR, Nonterminal, was not found in name map.) (Residue 177: LYS, Nonterminal, was not found in name map.) (Residue 178: GLY, Nonterminal, was not found in name map.) (Residue 179: LYS, Nonterminal, was not found in name map.) (Residue 180: LYS, Nonterminal, was not found in name map.) (Residue 181: PRO, Nonterminal, was not found in name map.) (Residue 182: VAL, Nonterminal, was not found in name map.) (Residue 183: TYR, Nonterminal, was not found in name map.) (Residue 184: TRP, Nonterminal, was not found in name map.) (Residue 185: SER, Nonterminal, was not found in name map.) (Residue 186: PRO, Nonterminal, was not found in name map.) (Residue 187: SER, Nonterminal, was not found in name map.) (Residue 188: SER, Nonterminal, was not found in name map.) (Residue 189: GLU, Nonterminal, was not found in name map.) (Residue 190: SER, Nonterminal, was not found in name map.) (Residue 191: SER, Nonterminal, was not found in name map.) (Residue 192: LEU, Nonterminal, was not found in name map.) (Residue 193: ALA, Nonterminal, was not found in name map.) (Residue 194: GLU, Nonterminal, was not found in name map.) (Residue 195: ALA, Nonterminal, was not found in name map.) (Residue 196: GLU, Nonterminal, was not found in name map.) (Residue 197: ILE, Nonterminal, was not found in name map.) (Residue 198: GLU, Nonterminal, was not found in name map.) (Residue 199: TYR, Nonterminal, was not found in name map.) (Residue 200: HIS, Nonterminal, was not found in name map.) (Residue 201: ASP, Nonterminal, was not found in name map.) (Residue 202: LYS, Nonterminal, was not found in name map.) (Residue 203: ARG, Nonterminal, was not found in name map.) (Residue 204: SER, Nonterminal, was not found in name map.) (Residue 205: ALA, Nonterminal, was not found in name map.) (Residue 206: SER, Nonterminal, was not found in name map.) (Residue 207: ILE, Nonterminal, was not found in name map.) (Residue 208: TYR, Nonterminal, was not found in name map.) (Residue 209: VAL, Nonterminal, was not found in name map.) (Residue 210: ALA, Nonterminal, was not found in name map.) (Residue 211: PHE, Nonterminal, was not found in name map.) (Residue 212: ASN, Nonterminal, was not found in name map.) (Residue 213: VAL, Nonterminal, was not found in name map.) (Residue 214: LYS, Nonterminal, was not found in name map.) (Residue 215: ASP, Nonterminal, was not found in name map.) (Residue 216: ASP, Nonterminal, was not found in name map.) (Residue 217: LYS, Nonterminal, was not found in name map.) (Residue 218: GLY, Nonterminal, was not found in name map.) (Residue 219: VAL, Nonterminal, was not found in name map.) (Residue 220: VAL, Nonterminal, was not found in name map.) (Residue 221: ASP, Nonterminal, was not found in name map.) (Residue 222: ALA, Nonterminal, was not found in name map.) (Residue 223: ASP, Nonterminal, was not found in name map.) (Residue 224: ALA, Nonterminal, was not found in name map.) (Residue 225: LYS, Nonterminal, was not found in name map.) (Residue 226: PHE, Nonterminal, was not found in name map.) (Residue 227: ILE, Nonterminal, was not found in name map.) (Residue 228: ILE, Nonterminal, was not found in name map.) (Residue 229: TRP, Nonterminal, was not found in name map.) (Residue 230: THR, Nonterminal, was not found in name map.) (Residue 231: THR, Nonterminal, was not found in name map.) (Residue 232: THR, Nonterminal, was not found in name map.) (Residue 233: PRO, Nonterminal, was not found in name map.) (Residue 234: TRP, Nonterminal, was not found in name map.) (Residue 235: THR, Nonterminal, was not found in name map.) (Residue 236: ILE, Nonterminal, was not found in name map.) (Residue 237: PRO, Nonterminal, was not found in name map.) (Residue 238: SER, Nonterminal, was not found in name map.) (Residue 239: ASN, Nonterminal, was not found in name map.) (Residue 240: VAL, Nonterminal, was not found in name map.) (Residue 241: ALA, Nonterminal, was not found in name map.) (Residue 242: ILE, Nonterminal, was not found in name map.) (Residue 243: THR, Nonterminal, was not found in name map.) (Residue 244: VAL, Nonterminal, was not found in name map.) (Residue 245: HIS, Nonterminal, was not found in name map.) (Residue 246: PRO, Nonterminal, was not found in name map.) (Residue 247: GLU, Nonterminal, was not found in name map.) (Residue 248: LEU, Nonterminal, was not found in name map.) (Residue 249: LYS, Nonterminal, was not found in name map.) (Residue 250: TYR, Nonterminal, was not found in name map.) (Residue 251: GLY, Nonterminal, was not found in name map.) (Residue 252: GLN, Nonterminal, was not found in name map.) (Residue 253: TYR, Nonterminal, was not found in name map.) (Residue 254: ASN, Nonterminal, was not found in name map.) (Residue 255: VAL, Nonterminal, was not found in name map.) (Residue 256: ASN, Nonterminal, was not found in name map.) (Residue 257: GLY, Nonterminal, was not found in name map.) (Residue 258: GLU, Nonterminal, was not found in name map.) (Residue 259: LYS, Nonterminal, was not found in name map.) (Residue 260: TYR, Nonterminal, was not found in name map.) (Residue 261: ILE, Nonterminal, was not found in name map.) (Residue 262: ILE, Nonterminal, was not found in name map.) (Residue 263: ALA, Nonterminal, was not found in name map.) (Residue 264: GLU, Nonterminal, was not found in name map.) (Residue 265: ALA, Nonterminal, was not found in name map.) (Residue 266: LEU, Nonterminal, was not found in name map.) (Residue 267: SER, Nonterminal, was not found in name map.) (Residue 268: ASP, Nonterminal, was not found in name map.) (Residue 269: ALA, Nonterminal, was not found in name map.) (Residue 270: VAL, Nonterminal, was not found in name map.) (Residue 271: ALA, Nonterminal, was not found in name map.) (Residue 272: GLU, Nonterminal, was not found in name map.) (Residue 273: ALA, Nonterminal, was not found in name map.) (Residue 274: LEU, Nonterminal, was not found in name map.) (Residue 275: ASP, Nonterminal, was not found in name map.) (Residue 276: TRP, Nonterminal, was not found in name map.) (Residue 277: ASP, Nonterminal, was not found in name map.) (Residue 278: LYS, Nonterminal, was not found in name map.) (Residue 279: ALA, Nonterminal, was not found in name map.) (Residue 280: SER, Nonterminal, was not found in name map.) (Residue 281: ILE, Nonterminal, was not found in name map.) (Residue 282: LYS, Nonterminal, was not found in name map.) (Residue 283: LEU, Nonterminal, was not found in name map.) (Residue 284: GLU, Nonterminal, was not found in name map.) (Residue 285: LYS, Nonterminal, was not found in name map.) (Residue 286: GLU, Nonterminal, was not found in name map.) (Residue 287: TYR, Nonterminal, was not found in name map.) (Residue 288: THR, Nonterminal, was not found in name map.) (Residue 289: GLY, Nonterminal, was not found in name map.) (Residue 290: LYS, Nonterminal, was not found in name map.) (Residue 291: GLU, Nonterminal, was not found in name map.) (Residue 292: LEU, Nonterminal, was not found in name map.) (Residue 293: GLU, Nonterminal, was not found in name map.) (Residue 294: TRP, Nonterminal, was not found in name map.) (Residue 295: VAL, Nonterminal, was not found in name map.) (Residue 296: VAL, Nonterminal, was not found in name map.) (Residue 297: ALA, Nonterminal, was not found in name map.) (Residue 298: GLN, Nonterminal, was not found in name map.) (Residue 299: HIS, Nonterminal, was not found in name map.) (Residue 300: PRO, Nonterminal, was not found in name map.) (Residue 301: PHE, Nonterminal, was not found in name map.) (Residue 302: LEU, Nonterminal, was not found in name map.) (Residue 303: ASP, Nonterminal, was not found in name map.) (Residue 304: ARG, Nonterminal, was not found in name map.) (Residue 305: GLU, Nonterminal, was not found in name map.) (Residue 306: SER, Nonterminal, was not found in name map.) (Residue 307: LEU, Nonterminal, was not found in name map.) (Residue 308: VAL, Nonterminal, was not found in name map.) (Residue 309: ILE, Nonterminal, was not found in name map.) (Residue 310: ASN, Nonterminal, was not found in name map.) (Residue 311: GLY, Nonterminal, was not found in name map.) (Residue 312: ASP, Nonterminal, was not found in name map.) (Residue 313: HIS, Nonterminal, was not found in name map.) (Residue 314: VAL, Nonterminal, was not found in name map.) (Residue 315: THR, Nonterminal, was not found in name map.) (Residue 316: THR, Nonterminal, was not found in name map.) (Residue 317: ASP, Nonterminal, was not found in name map.) (Residue 318: ALA, Nonterminal, was not found in name map.) (Residue 319: GLY, Nonterminal, was not found in name map.) (Residue 320: THR, Nonterminal, was not found in name map.) (Residue 321: GLY, Nonterminal, was not found in name map.) (Residue 322: CYS, Nonterminal, was not found in name map.) (Residue 323: VAL, Nonterminal, was not found in name map.) (Residue 324: HIS, Nonterminal, was not found in name map.) (Residue 325: THR, Nonterminal, was not found in name map.) (Residue 326: ALA, Nonterminal, was not found in name map.) (Residue 327: PRO, Nonterminal, was not found in name map.) (Residue 328: GLY, Nonterminal, was not found in name map.) (Residue 329: HIS, Nonterminal, was not found in name map.) (Residue 330: GLY, Nonterminal, was not found in name map.) (Residue 331: GLU, Nonterminal, was not found in name map.) (Residue 332: ASP, Nonterminal, was not found in name map.) (Residue 333: ASP, Nonterminal, was not found in name map.) (Residue 334: TYR, Nonterminal, was not found in name map.) (Residue 335: ILE, Nonterminal, was not found in name map.) (Residue 336: VAL, Nonterminal, was not found in name map.) (Residue 337: GLY, Nonterminal, was not found in name map.) (Residue 338: GLN, Nonterminal, was not found in name map.) (Residue 339: GLN, Nonterminal, was not found in name map.) (Residue 340: TYR, Nonterminal, was not found in name map.) (Residue 341: GLU, Nonterminal, was not found in name map.) (Residue 342: LEU, Nonterminal, was not found in name map.) (Residue 343: PRO, Nonterminal, was not found in name map.) (Residue 344: VAL, Nonterminal, was not found in name map.) (Residue 345: ILE, Nonterminal, was not found in name map.) (Residue 346: SER, Nonterminal, was not found in name map.) (Residue 347: PRO, Nonterminal, was not found in name map.) (Residue 348: ILE, Nonterminal, was not found in name map.) (Residue 349: ASP, Nonterminal, was not found in name map.) (Residue 350: ASP, Nonterminal, was not found in name map.) (Residue 351: LYS, Nonterminal, was not found in name map.) (Residue 352: GLY, Nonterminal, was not found in name map.) (Residue 353: VAL, Nonterminal, was not found in name map.) (Residue 354: PHE, Nonterminal, was not found in name map.) (Residue 355: THR, Nonterminal, was not found in name map.) (Residue 356: GLU, Nonterminal, was not found in name map.) (Residue 357: GLU, Nonterminal, was not found in name map.) (Residue 358: GLY, Nonterminal, was not found in name map.) (Residue 359: GLY, Nonterminal, was not found in name map.) (Residue 360: GLN, Nonterminal, was not found in name map.) (Residue 361: PHE, Nonterminal, was not found in name map.) (Residue 362: GLU, Nonterminal, was not found in name map.) (Residue 363: GLY, Nonterminal, was not found in name map.) (Residue 364: MET, Nonterminal, was not found in name map.) (Residue 365: PHE, Nonterminal, was not found in name map.) (Residue 366: TYR, Nonterminal, was not found in name map.) (Residue 367: ASP, Nonterminal, was not found in name map.) (Residue 368: LYS, Nonterminal, was not found in name map.) (Residue 369: ALA, Nonterminal, was not found in name map.) (Residue 370: ASN, Nonterminal, was not found in name map.) (Residue 371: LYS, Nonterminal, was not found in name map.) (Residue 372: ALA, Nonterminal, was not found in name map.) (Residue 373: VAL, Nonterminal, was not found in name map.) (Residue 374: THR, Nonterminal, was not found in name map.) (Residue 375: ASP, Nonterminal, was not found in name map.) (Residue 376: LEU, Nonterminal, was not found in name map.) (Residue 377: LEU, Nonterminal, was not found in name map.) (Residue 378: THR, Nonterminal, was not found in name map.) (Residue 379: GLU, Nonterminal, was not found in name map.) (Residue 380: LYS, Nonterminal, was not found in name map.) (Residue 381: GLY, Nonterminal, was not found in name map.) (Residue 382: ALA, Nonterminal, was not found in name map.) (Residue 383: LEU, Nonterminal, was not found in name map.) (Residue 384: LEU, Nonterminal, was not found in name map.) (Residue 385: LYS, Nonterminal, was not found in name map.) (Residue 386: LEU, Nonterminal, was not found in name map.) (Residue 387: ASP, Nonterminal, was not found in name map.) (Residue 388: PHE, Nonterminal, was not found in name map.) (Residue 389: ILE, Nonterminal, was not found in name map.) (Residue 390: THR, Nonterminal, was not found in name map.) (Residue 391: HIS, Nonterminal, was not found in name map.) (Residue 392: SER, Nonterminal, was not found in name map.) (Residue 393: TYR, Nonterminal, was not found in name map.) (Residue 394: PRO, Nonterminal, was not found in name map.) (Residue 395: HIS, Nonterminal, was not found in name map.) (Residue 396: ASP, Nonterminal, was not found in name map.) (Residue 397: TRP, Nonterminal, was not found in name map.) (Residue 398: ARG, Nonterminal, was not found in name map.) (Residue 399: THR, Nonterminal, was not found in name map.) (Residue 400: LYS, Nonterminal, was not found in name map.) (Residue 401: LYS, Nonterminal, was not found in name map.) (Residue 402: PRO, Nonterminal, was not found in name map.) (Residue 403: VAL, Nonterminal, was not found in name map.) (Residue 404: ILE, Nonterminal, was not found in name map.) (Residue 405: PHE, Nonterminal, was not found in name map.) (Residue 406: ARG, Nonterminal, was not found in name map.) (Residue 407: ALA, Nonterminal, was not found in name map.) (Residue 408: THR, Nonterminal, was not found in name map.) (Residue 409: PRO, Nonterminal, was not found in name map.) (Residue 410: GLN, Nonterminal, was not found in name map.) (Residue 411: TRP, Nonterminal, was not found in name map.) (Residue 412: PHE, Nonterminal, was not found in name map.) (Residue 413: ALA, Nonterminal, was not found in name map.) (Residue 414: SER, Nonterminal, was not found in name map.) (Residue 415: ILE, Nonterminal, was not found in name map.) (Residue 416: SER, Nonterminal, was not found in name map.) (Residue 417: LYS, Nonterminal, was not found in name map.) (Residue 418: VAL, Nonterminal, was not found in name map.) (Residue 419: ARG, Nonterminal, was not found in name map.) (Residue 420: GLN, Nonterminal, was not found in name map.) (Residue 421: ASP, Nonterminal, was not found in name map.) (Residue 422: ILE, Nonterminal, was not found in name map.) (Residue 423: LEU, Nonterminal, was not found in name map.) (Residue 424: ASP, Nonterminal, was not found in name map.) (Residue 425: ALA, Nonterminal, was not found in name map.) (Residue 426: ILE, Nonterminal, was not found in name map.) (Residue 427: GLU, Nonterminal, was not found in name map.) (Residue 428: ASN, Nonterminal, was not found in name map.) (Residue 429: THR, Nonterminal, was not found in name map.) (Residue 430: ASN, Nonterminal, was not found in name map.) (Residue 431: PHE, Nonterminal, was not found in name map.) (Residue 432: LYS, Nonterminal, was not found in name map.) (Residue 433: VAL, Nonterminal, was not found in name map.) (Residue 434: ASN, Nonterminal, was not found in name map.) (Residue 435: TRP, Nonterminal, was not found in name map.) (Residue 436: GLY, Nonterminal, was not found in name map.) (Residue 437: LYS, Nonterminal, was not found in name map.) (Residue 438: THR, Nonterminal, was not found in name map.) (Residue 439: ARG, Nonterminal, was not found in name map.) (Residue 440: ILE, Nonterminal, was not found in name map.) (Residue 441: TYR, Nonterminal, was not found in name map.) (Residue 442: ASN, Nonterminal, was not found in name map.) (Residue 443: MET, Nonterminal, was not found in name map.) (Residue 444: VAL, Nonterminal, was not found in name map.) (Residue 445: ARG, Nonterminal, was not found in name map.) (Residue 446: ASP, Nonterminal, was not found in name map.) (Residue 447: ARG, Nonterminal, was not found in name map.) (Residue 448: GLY, Nonterminal, was not found in name map.) (Residue 449: GLU, Nonterminal, was not found in name map.) (Residue 450: TRP, Nonterminal, was not found in name map.) (Residue 451: VAL, Nonterminal, was not found in name map.) (Residue 452: ILE, Nonterminal, was not found in name map.) (Residue 453: SER, Nonterminal, was not found in name map.) (Residue 454: ARG, Nonterminal, was not found in name map.) (Residue 455: GLN, Nonterminal, was not found in name map.) (Residue 456: ARG, Nonterminal, was not found in name map.) (Residue 457: VAL, Nonterminal, was not found in name map.) (Residue 458: TRP, Nonterminal, was not found in name map.) (Residue 459: GLY, Nonterminal, was not found in name map.) (Residue 460: VAL, Nonterminal, was not found in name map.) (Residue 461: PRO, Nonterminal, was not found in name map.) (Residue 462: LEU, Nonterminal, was not found in name map.) (Residue 463: PRO, Nonterminal, was not found in name map.) (Residue 464: VAL, Nonterminal, was not found in name map.) (Residue 465: PHE, Nonterminal, was not found in name map.) (Residue 466: TYR, Nonterminal, was not found in name map.) (Residue 467: ALA, Nonterminal, was not found in name map.) (Residue 468: GLU, Nonterminal, was not found in name map.) (Residue 469: ASN, Nonterminal, was not found in name map.) (Residue 470: GLY, Nonterminal, was not found in name map.) (Residue 471: GLU, Nonterminal, was not found in name map.) (Residue 472: ILE, Nonterminal, was not found in name map.) (Residue 473: ILE, Nonterminal, was not found in name map.) (Residue 474: MET, Nonterminal, was not found in name map.) (Residue 475: THR, Nonterminal, was not found in name map.) (Residue 476: LYS, Nonterminal, was not found in name map.) (Residue 477: GLU, Nonterminal, was not found in name map.) (Residue 478: THR, Nonterminal, was not found in name map.) (Residue 479: VAL, Nonterminal, was not found in name map.) (Residue 480: ASN, Nonterminal, was not found in name map.) (Residue 481: HIS, Nonterminal, was not found in name map.) (Residue 482: VAL, Nonterminal, was not found in name map.) (Residue 483: ALA, Nonterminal, was not found in name map.) (Residue 484: ASP, Nonterminal, was not found in name map.) (Residue 485: LEU, Nonterminal, was not found in name map.) (Residue 486: PHE, Nonterminal, was not found in name map.) (Residue 487: ALA, Nonterminal, was not found in name map.) (Residue 488: GLU, Nonterminal, was not found in name map.) (Residue 489: HIS, Nonterminal, was not found in name map.) (Residue 490: GLY, Nonterminal, was not found in name map.) (Residue 491: SER, Nonterminal, was not found in name map.) (Residue 492: ASN, Nonterminal, was not found in name map.) (Residue 493: ILE, Nonterminal, was not found in name map.) (Residue 494: TRP, Nonterminal, was not found in name map.) (Residue 495: PHE, Nonterminal, was not found in name map.) (Residue 496: GLU, Nonterminal, was not found in name map.) (Residue 497: ARG, Nonterminal, was not found in name map.) (Residue 498: GLU, Nonterminal, was not found in name map.) (Residue 499: ALA, Nonterminal, was not found in name map.) (Residue 500: LYS, Nonterminal, was not found in name map.) (Residue 501: ASP, Nonterminal, was not found in name map.) (Residue 502: LEU, Nonterminal, was not found in name map.) (Residue 503: LEU, Nonterminal, was not found in name map.) (Residue 504: PRO, Nonterminal, was not found in name map.) (Residue 505: GLU, Nonterminal, was not found in name map.) (Residue 506: GLY, Nonterminal, was not found in name map.) (Residue 507: PHE, Nonterminal, was not found in name map.) (Residue 508: THR, Nonterminal, was not found in name map.) (Residue 509: HIS, Nonterminal, was not found in name map.) (Residue 510: PRO, Nonterminal, was not found in name map.) (Residue 511: GLY, Nonterminal, was not found in name map.) (Residue 512: SER, Nonterminal, was not found in name map.) (Residue 513: PRO, Nonterminal, was not found in name map.) (Residue 514: ASN, Nonterminal, was not found in name map.) (Residue 515: GLY, Nonterminal, was not found in name map.) (Residue 516: THR, Nonterminal, was not found in name map.) (Residue 517: PHE, Nonterminal, was not found in name map.) (Residue 518: THR, Nonterminal, was not found in name map.) (Residue 519: LYS, Nonterminal, was not found in name map.) (Residue 520: GLU, Nonterminal, was not found in name map.) (Residue 521: THR, Nonterminal, was not found in name map.) (Residue 522: ASP, Nonterminal, was not found in name map.) (Residue 523: ILE, Nonterminal, was not found in name map.) (Residue 524: MET, Nonterminal, was not found in name map.) (Residue 525: ASP, Nonterminal, was not found in name map.) (Residue 526: VAL, Nonterminal, was not found in name map.) (Residue 527: TRP, Nonterminal, was not found in name map.) (Residue 528: PHE, Nonterminal, was not found in name map.) (Residue 529: ASP, Nonterminal, was not found in name map.) (Residue 530: SER, Nonterminal, was not found in name map.) (Residue 531: GLY, Nonterminal, was not found in name map.) (Residue 532: SER, Nonterminal, was not found in name map.) (Residue 533: SER, Nonterminal, was not found in name map.) (Residue 534: HIS, Nonterminal, was not found in name map.) (Residue 535: ARG, Nonterminal, was not found in name map.) (Residue 536: GLY, Nonterminal, was not found in name map.) (Residue 537: VAL, Nonterminal, was not found in name map.) (Residue 538: LEU, Nonterminal, was not found in name map.) (Residue 539: GLU, Nonterminal, was not found in name map.) (Residue 540: THR, Nonterminal, was not found in name map.) (Residue 541: ARG, Nonterminal, was not found in name map.) (Residue 542: PRO, Nonterminal, was not found in name map.) (Residue 543: GLU, Nonterminal, was not found in name map.) (Residue 544: LEU, Nonterminal, was not found in name map.) (Residue 545: SER, Nonterminal, was not found in name map.) (Residue 546: PHE, Nonterminal, was not found in name map.) (Residue 547: PRO, Nonterminal, was not found in name map.) (Residue 548: ALA, Nonterminal, was not found in name map.) (Residue 549: ASP, Nonterminal, was not found in name map.) (Residue 550: MET, Nonterminal, was not found in name map.) (Residue 551: TYR, Nonterminal, was not found in name map.) (Residue 552: LEU, Nonterminal, was not found in name map.) (Residue 553: GLU, Nonterminal, was not found in name map.) (Residue 554: GLY, Nonterminal, was not found in name map.) (Residue 555: SER, Nonterminal, was not found in name map.) (Residue 556: ASP, Nonterminal, was not found in name map.) (Residue 557: GLN, Nonterminal, was not found in name map.) (Residue 558: TYR, Nonterminal, was not found in name map.) (Residue 559: ARG, Nonterminal, was not found in name map.) (Residue 560: GLY, Nonterminal, was not found in name map.) (Residue 561: TRP, Nonterminal, was not found in name map.) (Residue 562: PHE, Nonterminal, was not found in name map.) (Residue 563: ASN, Nonterminal, was not found in name map.) (Residue 564: SER, Nonterminal, was not found in name map.) (Residue 565: SER, Nonterminal, was not found in name map.) (Residue 566: ILE, Nonterminal, was not found in name map.) (Residue 567: THR, Nonterminal, was not found in name map.) (Residue 568: THR, Nonterminal, was not found in name map.) (Residue 569: SER, Nonterminal, was not found in name map.) (Residue 570: VAL, Nonterminal, was not found in name map.) (Residue 571: ALA, Nonterminal, was not found in name map.) (Residue 572: THR, Nonterminal, was not found in name map.) (Residue 573: ARG, Nonterminal, was not found in name map.) (Residue 574: GLY, Nonterminal, was not found in name map.) (Residue 575: VAL, Nonterminal, was not found in name map.) (Residue 576: SER, Nonterminal, was not found in name map.) (Residue 577: PRO, Nonterminal, was not found in name map.) (Residue 578: TYR, Nonterminal, was not found in name map.) (Residue 579: LYS, Nonterminal, was not found in name map.) (Residue 580: PHE, Nonterminal, was not found in name map.) (Residue 581: LEU, Nonterminal, was not found in name map.) (Residue 582: LEU, Nonterminal, was not found in name map.) (Residue 583: SER, Nonterminal, was not found in name map.) (Residue 584: HIS, Nonterminal, was not found in name map.) (Residue 585: GLY, Nonterminal, was not found in name map.) (Residue 586: PHE, Nonterminal, was not found in name map.) (Residue 587: VAL, Nonterminal, was not found in name map.) (Residue 588: MET, Nonterminal, was not found in name map.) (Residue 589: ASP, Nonterminal, was not found in name map.) (Residue 590: GLY, Nonterminal, was not found in name map.) (Residue 591: GLU, Nonterminal, was not found in name map.) (Residue 592: GLY, Nonterminal, was not found in name map.) (Residue 593: LYS, Nonterminal, was not found in name map.) (Residue 594: LYS, Nonterminal, was not found in name map.) (Residue 595: MET, Nonterminal, was not found in name map.) (Residue 596: SER, Nonterminal, was not found in name map.) (Residue 597: LYS, Nonterminal, was not found in name map.) (Residue 598: SER, Nonterminal, was not found in name map.) (Residue 599: LEU, Nonterminal, was not found in name map.) (Residue 600: GLY, Nonterminal, was not found in name map.) (Residue 601: ASN, Nonterminal, was not found in name map.) (Residue 602: VAL, Nonterminal, was not found in name map.) (Residue 603: ILE, Nonterminal, was not found in name map.) (Residue 604: VAL, Nonterminal, was not found in name map.) (Residue 605: PRO, Nonterminal, was not found in name map.) (Residue 606: ASP, Nonterminal, was not found in name map.) (Residue 607: GLN, Nonterminal, was not found in name map.) (Residue 608: VAL, Nonterminal, was not found in name map.) (Residue 609: VAL, Nonterminal, was not found in name map.) (Residue 610: LYS, Nonterminal, was not found in name map.) (Residue 611: GLN, Nonterminal, was not found in name map.) (Residue 612: LYS, Nonterminal, was not found in name map.) (Residue 613: GLY, Nonterminal, was not found in name map.) (Residue 614: ALA, Nonterminal, was not found in name map.) (Residue 615: ASP, Nonterminal, was not found in name map.) (Residue 616: ILE, Nonterminal, was not found in name map.) (Residue 617: ALA, Nonterminal, was not found in name map.) (Residue 618: ARG, Nonterminal, was not found in name map.) (Residue 619: LEU, Nonterminal, was not found in name map.) (Residue 620: TRP, Nonterminal, was not found in name map.) (Residue 621: VAL, Nonterminal, was not found in name map.) (Residue 622: SER, Nonterminal, was not found in name map.) (Residue 623: SER, Nonterminal, was not found in name map.) (Residue 624: THR, Nonterminal, was not found in name map.) (Residue 625: ASP, Nonterminal, was not found in name map.) (Residue 626: TYR, Nonterminal, was not found in name map.) (Residue 627: LEU, Nonterminal, was not found in name map.) (Residue 628: ALA, Nonterminal, was not found in name map.) (Residue 629: ASP, Nonterminal, was not found in name map.) (Residue 630: VAL, Nonterminal, was not found in name map.) (Residue 631: ARG, Nonterminal, was not found in name map.) (Residue 632: ILE, Nonterminal, was not found in name map.) (Residue 633: SER, Nonterminal, was not found in name map.) (Residue 634: ASP, Nonterminal, was not found in name map.) (Residue 635: GLU, Nonterminal, was not found in name map.) (Residue 636: ILE, Nonterminal, was not found in name map.) (Residue 637: LEU, 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: THR, Nonterminal, was not found in name map.) (Residue 641: SER, Nonterminal, was not found in name map.) (Residue 642: ASP, Nonterminal, was not found in name map.) (Residue 643: ASP, Nonterminal, was not found in name map.) (Residue 644: TYR, Nonterminal, was not found in name map.) (Residue 645: ARG, Nonterminal, was not found in name map.) (Residue 646: LYS, Nonterminal, was not found in name map.) (Residue 647: ILE, Nonterminal, was not found in name map.) (Residue 648: ARG, Nonterminal, was not found in name map.) (Residue 649: ASN, Nonterminal, was not found in name map.) (Residue 650: THR, Nonterminal, was not found in name map.) (Residue 651: LEU, Nonterminal, was not found in name map.) (Residue 652: ARG, Nonterminal, was not found in name map.) (Residue 653: PHE, Nonterminal, was not found in name map.) (Residue 654: MET, Nonterminal, was not found in name map.) (Residue 655: LEU, Nonterminal, was not found in name map.) (Residue 656: GLY, Nonterminal, was not found in name map.) (Residue 657: ASN, Nonterminal, was not found in name map.) (Residue 658: ILE, Nonterminal, was not found in name map.) (Residue 659: ASN, Nonterminal, was not found in name map.) (Residue 660: ASP, Nonterminal, was not found in name map.) (Residue 661: PHE, Nonterminal, was not found in name map.) (Residue 662: ASN, Nonterminal, was not found in name map.) (Residue 663: PRO, Nonterminal, was not found in name map.) (Residue 664: ASP, Nonterminal, was not found in name map.) (Residue 665: THR, Nonterminal, was not found in name map.) (Residue 666: ASP, Nonterminal, was not found in name map.) (Residue 667: SER, Nonterminal, was not found in name map.) (Residue 668: ILE, Nonterminal, was not found in name map.) (Residue 669: PRO, Nonterminal, was not found in name map.) (Residue 670: GLU, Nonterminal, was not found in name map.) (Residue 671: SER, Nonterminal, was not found in name map.) (Residue 672: GLU, Nonterminal, was not found in name map.) (Residue 673: LEU, Nonterminal, was not found in name map.) (Residue 674: LEU, Nonterminal, was not found in name map.) (Residue 675: GLU, Nonterminal, was not found in name map.) (Residue 676: VAL, Nonterminal, was not found in name map.) (Residue 677: ASP, Nonterminal, was not found in name map.) (Residue 678: ARG, Nonterminal, was not found in name map.) (Residue 679: TYR, Nonterminal, was not found in name map.) (Residue 680: LEU, Nonterminal, was not found in name map.) (Residue 681: LEU, Nonterminal, was not found in name map.) (Residue 682: ASN, Nonterminal, was not found in name map.) (Residue 683: ARG, Nonterminal, was not found in name map.) (Residue 684: LEU, Nonterminal, was not found in name map.) (Residue 685: ARG, Nonterminal, was not found in name map.) (Residue 686: GLU, Nonterminal, was not found in name map.) (Residue 687: PHE, Nonterminal, was not found in name map.) (Residue 688: THR, Nonterminal, was not found in name map.) (Residue 689: ALA, Nonterminal, was not found in name map.) (Residue 690: SER, Nonterminal, was not found in name map.) (Residue 691: THR, Nonterminal, was not found in name map.) (Residue 692: ILE, Nonterminal, was not found in name map.) (Residue 693: ASN, Nonterminal, was not found in name map.) (Residue 694: ASN, Nonterminal, was not found in name map.) (Residue 695: TYR, Nonterminal, was not found in name map.) (Residue 696: GLU, Nonterminal, was not found in name map.) (Residue 697: ASN, Nonterminal, was not found in name map.) (Residue 698: PHE, Nonterminal, was not found in name map.) (Residue 699: ASP, Nonterminal, was not found in name map.) (Residue 700: TYR, Nonterminal, was not found in name map.) (Residue 701: LEU, Nonterminal, was not found in name map.) (Residue 702: ASN, Nonterminal, was not found in name map.) (Residue 703: ILE, Nonterminal, was not found in name map.) (Residue 704: TYR, Nonterminal, was not found in name map.) (Residue 705: GLN, Nonterminal, was not found in name map.) (Residue 706: GLU, Nonterminal, was not found in name map.) (Residue 707: VAL, Nonterminal, was not found in name map.) (Residue 708: GLN, Nonterminal, was not found in name map.) (Residue 709: ASN, Nonterminal, was not found in name map.) (Residue 710: PHE, Nonterminal, was not found in name map.) (Residue 711: ILE, Nonterminal, was not found in name map.) (Residue 712: ASN, Nonterminal, was not found in name map.) (Residue 713: VAL, Nonterminal, was not found in name map.) (Residue 714: GLU, Nonterminal, was not found in name map.) (Residue 715: LEU, Nonterminal, was not found in name map.) (Residue 716: SER, Nonterminal, was not found in name map.) (Residue 717: ASN, Nonterminal, was not found in name map.) (Residue 718: PHE, Nonterminal, was not found in name map.) (Residue 719: TYR, Nonterminal, was not found in name map.) (Residue 720: LEU, Nonterminal, was not found in name map.) (Residue 721: ASP, Nonterminal, was not found in name map.) (Residue 722: TYR, Nonterminal, was not found in name map.) (Residue 723: GLY, Nonterminal, was not found in name map.) (Residue 724: LYS, Nonterminal, was not found in name map.) (Residue 725: ASP, Nonterminal, was not found in name map.) (Residue 726: ILE, Nonterminal, was not found in name map.) (Residue 727: LEU, Nonterminal, was not found in name map.) (Residue 728: TYR, Nonterminal, was not found in name map.) (Residue 729: ILE, Nonterminal, was not found in name map.) (Residue 730: GLU, Nonterminal, was not found in name map.) (Residue 731: GLN, Nonterminal, was not found in name map.) (Residue 732: ARG, Nonterminal, was not found in name map.) (Residue 733: ASP, Nonterminal, was not found in name map.) (Residue 734: SER, Nonterminal, was not found in name map.) (Residue 735: HIS, Nonterminal, was not found in name map.) (Residue 736: ILE, Nonterminal, was not found in name map.) (Residue 737: ARG, Nonterminal, was not found in name map.) (Residue 738: ARG, Nonterminal, was not found in name map.) (Residue 739: SER, Nonterminal, was not found in name map.) (Residue 740: MET, Nonterminal, was not found in name map.) (Residue 741: GLN, Nonterminal, was not found in name map.) (Residue 742: THR, Nonterminal, was not found in name map.) (Residue 743: VAL, Nonterminal, was not found in name map.) (Residue 744: LEU, Nonterminal, was not found in name map.) (Residue 745: TYR, Nonterminal, was not found in name map.) (Residue 746: GLN, Nonterminal, was not found in name map.) (Residue 747: ILE, Nonterminal, was not found in name map.) (Residue 748: LEU, Nonterminal, was not found in name map.) (Residue 749: VAL, Nonterminal, was not found in name map.) (Residue 750: ASP, Nonterminal, was not found in name map.) (Residue 751: MET, Nonterminal, was not found in name map.) (Residue 752: THR, Nonterminal, was not found in name map.) (Residue 753: LYS, Nonterminal, was not found in name map.) (Residue 754: LEU, Nonterminal, was not found in name map.) (Residue 755: LEU, Nonterminal, was not found in name map.) (Residue 756: ALA, Nonterminal, was not found in name map.) (Residue 757: PRO, Nonterminal, was not found in name map.) (Residue 758: ILE, Nonterminal, was not found in name map.) (Residue 759: LEU, Nonterminal, was not found in name map.) (Residue 760: VAL, Nonterminal, was not found in name map.) (Residue 761: HIS, Nonterminal, was not found in name map.) (Residue 762: THR, Nonterminal, was not found in name map.) (Residue 763: ALA, Nonterminal, was not found in name map.) (Residue 764: GLU, Nonterminal, was not found in name map.) (Residue 765: GLU, Nonterminal, was not found in name map.) (Residue 766: VAL, Nonterminal, was not found in name map.) (Residue 767: TRP, Nonterminal, was not found in name map.) (Residue 768: SER, Nonterminal, was not found in name map.) (Residue 769: HIS, Nonterminal, was not found in name map.) (Residue 770: THR, Nonterminal, was not found in name map.) (Residue 771: PRO, Nonterminal, was not found in name map.) (Residue 772: HIS, Nonterminal, was not found in name map.) (Residue 773: VAL, Nonterminal, was not found in name map.) (Residue 774: LYS, Nonterminal, was not found in name map.) (Residue 775: GLU, Nonterminal, was not found in name map.) (Residue 776: GLU, Nonterminal, was not found in name map.) (Residue 777: SER, Nonterminal, was not found in name map.) (Residue 778: VAL, Nonterminal, was not found in name map.) (Residue 779: HIS, Nonterminal, was not found in name map.) (Residue 780: LEU, Nonterminal, was not found in name map.) (Residue 781: ALA, Nonterminal, was not found in name map.) (Residue 782: ASP, Nonterminal, was not found in name map.) (Residue 783: MET, Nonterminal, was not found in name map.) (Residue 784: PRO, Nonterminal, was not found in name map.) (Residue 785: LYS, Nonterminal, was not found in name map.) (Residue 786: VAL, Nonterminal, was not found in name map.) (Residue 787: VAL, Nonterminal, was not found in name map.) (Residue 788: GLU, Nonterminal, was not found in name map.) (Residue 789: VAL, Nonterminal, was not found in name map.) (Residue 790: ASP, Nonterminal, was not found in name map.) (Residue 791: GLN, Nonterminal, was not found in name map.) (Residue 792: ALA, Nonterminal, was not found in name map.) (Residue 793: LEU, Nonterminal, was not found in name map.) (Residue 794: LEU, Nonterminal, was not found in name map.) (Residue 795: ASP, Nonterminal, was not found in name map.) (Residue 796: LYS, Nonterminal, was not found in name map.) (Residue 797: TRP, Nonterminal, was not found in name map.) (Residue 798: ARG, Nonterminal, was not found in name map.) (Residue 799: THR, Nonterminal, was not found in name map.) (Residue 800: PHE, Nonterminal, was not found in name map.) (Residue 801: MET, Nonterminal, was not found in name map.) (Residue 802: ASN, Nonterminal, was not found in name map.) (Residue 803: LEU, Nonterminal, was not found in name map.) (Residue 804: ARG, Nonterminal, was not found in name map.) (Residue 805: ASP, Nonterminal, was not found in name map.) (Residue 806: ASP, Nonterminal, was not found in name map.) (Residue 807: VAL, Nonterminal, was not found in name map.) (Residue 808: ASN, Nonterminal, was not found in name map.) (Residue 809: ARG, Nonterminal, was not found in name map.) (Residue 810: ALA, Nonterminal, was not found in name map.) (Residue 811: LEU, Nonterminal, was not found in name map.) (Residue 812: GLU, Nonterminal, was not found in name map.) (Residue 813: THR, Nonterminal, was not found in name map.) (Residue 814: ALA, Nonterminal, was not found in name map.) (Residue 815: ARG, Nonterminal, was not found in name map.) (Residue 816: ASN, Nonterminal, was not found in name map.) (Residue 817: GLU, Nonterminal, was not found in name map.) (Residue 818: LYS, Nonterminal, was not found in name map.) (Residue 819: VAL, Nonterminal, was not found in name map.) (Residue 820: ILE, Nonterminal, was not found in name map.) (Residue 821: GLY, Nonterminal, was not found in name map.) (Residue 822: LYS, Nonterminal, was not found in name map.) (Residue 823: SER, Nonterminal, was not found in name map.) (Residue 824: LEU, Nonterminal, was not found in name map.) (Residue 825: GLU, Nonterminal, was not found in name map.) (Residue 826: ALA, Nonterminal, was not found in name map.) (Residue 827: LYS, Nonterminal, was not found in name map.) (Residue 828: VAL, Nonterminal, was not found in name map.) (Residue 829: THR, Nonterminal, was not found in name map.) (Residue 830: ILE, Nonterminal, was not found in name map.) (Residue 831: ALA, Nonterminal, was not found in name map.) (Residue 832: SER, Nonterminal, was not found in name map.) (Residue 833: ASN, Nonterminal, was not found in name map.) (Residue 834: ASP, Nonterminal, was not found in name map.) (Residue 835: LYS, Nonterminal, was not found in name map.) (Residue 836: PHE, Nonterminal, was not found in name map.) (Residue 837: ASN, Nonterminal, was not found in name map.) (Residue 838: ALA, Nonterminal, was not found in name map.) (Residue 839: SER, Nonterminal, was not found in name map.) (Residue 840: GLU, Nonterminal, was not found in name map.) (Residue 841: PHE, Nonterminal, was not found in name map.) (Residue 842: LEU, Nonterminal, was not found in name map.) (Residue 843: THR, Nonterminal, was not found in name map.) (Residue 844: SER, Nonterminal, was not found in name map.) (Residue 845: PHE, Nonterminal, was not found in name map.) (Residue 846: ASP, Nonterminal, was not found in name map.) (Residue 847: ALA, Nonterminal, was not found in name map.) (Residue 848: LEU, Nonterminal, was not found in name map.) (Residue 849: HIS, Nonterminal, was not found in name map.) (Residue 850: GLN, Nonterminal, was not found in name map.) (Residue 851: LEU, Nonterminal, was not found in name map.) (Residue 852: PHE, Nonterminal, was not found in name map.) (Residue 853: ILE, Nonterminal, was not found in name map.) (Residue 854: VAL, Nonterminal, was not found in name map.) (Residue 855: SER, Nonterminal, was not found in name map.) (Residue 856: GLN, Nonterminal, was not found in name map.) (Residue 857: VAL, Nonterminal, was not found in name map.) (Residue 858: LYS, Nonterminal, was not found in name map.) (Residue 859: VAL, Nonterminal, was not found in name map.) (Residue 860: VAL, Nonterminal, was not found in name map.) (Residue 861: ASP, Nonterminal, was not found in name map.) (Residue 862: LYS, Nonterminal, was not found in name map.) (Residue 863: LEU, Nonterminal, was not found in name map.) (Residue 864: ASP, Nonterminal, was not found in name map.) (Residue 865: ASP, Nonterminal, was not found in name map.) (Residue 866: GLN, Nonterminal, was not found in name map.) (Residue 867: ALA, Nonterminal, was not found in name map.) (Residue 868: THR, Nonterminal, was not found in name map.) (Residue 869: ALA, Nonterminal, was not found in name map.) (Residue 870: TYR, Nonterminal, was not found in name map.) (Residue 871: GLU, Nonterminal, was not found in name map.) (Residue 872: HIS, Nonterminal, was not found in name map.) (Residue 873: GLY, Nonterminal, was not found in name map.) (Residue 874: ASP, Nonterminal, was not found in name map.) (Residue 875: ILE, Nonterminal, was not found in name map.) (Residue 876: VAL, Nonterminal, was not found in name map.) (Residue 877: ILE, Nonterminal, was not found in name map.) (Residue 878: GLU, Nonterminal, was not found in name map.) (Residue 879: HIS, Nonterminal, was not found in name map.) (Residue 880: ALA, Nonterminal, was not found in name map.) (Residue 881: ASP, Nonterminal, was not found in name map.) (Residue 882: GLY, Nonterminal, was not found in name map.) (Residue 883: GLU, Nonterminal, was not found in name map.) (Residue 884: LYS, Nonterminal, was not found in name map.) (Residue 885: CYS, Nonterminal, was not found in name map.) (Residue 886: GLU, Nonterminal, was not found in name map.) (Residue 887: ARG, Nonterminal, was not found in name map.) (Residue 888: CYS, Nonterminal, was not found in name map.) (Residue 889: TRP, Nonterminal, was not found in name map.) (Residue 890: ASN, Nonterminal, was not found in name map.) (Residue 891: TYR, Nonterminal, was not found in name map.) (Residue 892: SER, Nonterminal, was not found in name map.) (Residue 893: GLU, Nonterminal, was not found in name map.) (Residue 894: ASP, Nonterminal, was not found in name map.) (Residue 895: LEU, Nonterminal, was not found in name map.) (Residue 896: GLY, Nonterminal, was not found in name map.) (Residue 897: ALA, Nonterminal, was not found in name map.) (Residue 898: VAL, Nonterminal, was not found in name map.) (Residue 899: ASP, Nonterminal, was not found in name map.) (Residue 900: GLU, Nonterminal, was not found in name map.) (Residue 901: LEU, Nonterminal, was not found in name map.) (Residue 902: THR, Nonterminal, was not found in name map.) (Residue 903: HIS, Nonterminal, was not found in name map.) (Residue 904: LEU, Nonterminal, was not found in name map.) (Residue 905: CYS, Nonterminal, was not found in name map.) (Residue 906: PRO, Nonterminal, was not found in name map.) (Residue 907: ARG, Nonterminal, was not found in name map.) (Residue 908: CYS, Nonterminal, was not found in name map.) (Residue 909: GLN, Nonterminal, was not found in name map.) (Residue 910: GLN, Nonterminal, was not found in name map.) (Residue 911: VAL, Nonterminal, was not found in name map.) (Residue 912: VAL, Nonterminal, was not found in name map.) (Residue 913: LYS, Nonterminal, was not found in name map.) (Residue 914: SER, Nonterminal, was not found in name map.) (Residue 915: LEU, Nonterminal, was not found in name map.) Mapped residue VAL, term: Terminal/last, seq. number: 916 to: CVAL. Mapped residue G, term: Terminal/beginning, seq. number: 917 to: DG5. Mapped residue G, term: Nonterminal, seq. number: 918 to: DG. Mapped residue G, term: Nonterminal, seq. number: 919 to: DG. Mapped residue C, term: Nonterminal, seq. number: 920 to: DC. (Residue 921: U, Nonterminal, was not found in name map.) Unknown residue: U number: 921 type: Nonterminal (Residue 922: U, Nonterminal, was not found in name map.) Unknown residue: U number: 922 type: Nonterminal Mapped residue G, term: Nonterminal, seq. number: 923 to: DG. (Residue 924: U, Nonterminal, was not found in name map.) Unknown residue: U number: 924 type: Nonterminal Mapped residue A, term: Nonterminal, seq. number: 925 to: DA. Mapped residue G, term: Nonterminal, seq. number: 926 to: DG. Mapped residue C, term: Nonterminal, seq. number: 927 to: DC. (Residue 928: U, Nonterminal, was not found in name map.) Unknown residue: U number: 928 type: Nonterminal Mapped residue C, term: Nonterminal, seq. number: 929 to: DC. Mapped residue A, term: Nonterminal, seq. number: 930 to: DA. Mapped residue G, term: Nonterminal, seq. number: 931 to: DG. Mapped residue G, term: Nonterminal, seq. number: 932 to: DG. (Residue 933: U, Nonterminal, was not found in name map.) Unknown residue: U number: 933 type: Nonterminal Mapped residue G, term: Nonterminal, seq. number: 934 to: DG. Mapped residue G, term: Nonterminal, seq. number: 935 to: DG. (Residue 936: U, Nonterminal, was not found in name map.) Unknown residue: U number: 936 type: Nonterminal (Residue 937: U, Nonterminal, was not found in name map.) Unknown residue: U number: 937 type: Nonterminal Mapped residue A, term: Nonterminal, seq. number: 938 to: DA. Mapped residue G, term: Nonterminal, seq. number: 939 to: DG. Mapped residue A, term: Nonterminal, seq. number: 940 to: DA. Mapped residue G, term: Nonterminal, seq. number: 941 to: DG. Mapped residue C, term: Nonterminal, seq. number: 942 to: DC. Mapped residue G, term: Nonterminal, seq. number: 943 to: DG. Mapped residue C, term: Nonterminal, seq. number: 944 to: DC. Mapped residue A, term: Nonterminal, seq. number: 945 to: DA. Mapped residue C, term: Nonterminal, seq. number: 946 to: DC. Mapped residue C, term: Nonterminal, seq. number: 947 to: DC. Mapped residue C, term: Nonterminal, seq. number: 948 to: DC. Mapped residue C, term: Nonterminal, seq. number: 949 to: DC. (Residue 950: U, Nonterminal, was not found in name map.) Unknown residue: U number: 950 type: Nonterminal Mapped residue G, term: Nonterminal, seq. number: 951 to: DG. Mapped residue A, term: Nonterminal, seq. number: 952 to: DA. (Residue 953: U, Nonterminal, was not found in name map.) Unknown residue: U number: 953 type: Nonterminal Mapped residue A, term: Nonterminal, seq. number: 954 to: DA. Mapped residue A, term: Nonterminal, seq. number: 955 to: DA. Mapped residue G, term: Nonterminal, seq. number: 956 to: DG. Mapped residue G, term: Nonterminal, seq. number: 957 to: DG. Mapped residue G, term: Nonterminal, seq. number: 958 to: DG. (Residue 959: U, Nonterminal, was not found in name map.) Unknown residue: U number: 959 type: Nonterminal Mapped residue G, term: Nonterminal, seq. number: 960 to: DG. Mapped residue A, term: Nonterminal, seq. number: 961 to: DA. Mapped residue G, term: Nonterminal, seq. number: 962 to: DG. Mapped residue G, term: Nonterminal, seq. number: 963 to: DG. (Residue 964: U, Nonterminal, was not found in name map.) Unknown residue: U number: 964 type: Nonterminal Mapped residue C, term: Nonterminal, seq. number: 965 to: DC. Mapped residue G, term: Nonterminal, seq. number: 966 to: DG. Mapped residue G, term: Nonterminal, seq. number: 967 to: DG. (Residue 968: U, Nonterminal, was not found in name map.) Unknown residue: U number: 968 type: Nonterminal Mapped residue G, term: Nonterminal, seq. number: 969 to: DG. Mapped residue G, term: Nonterminal, seq. number: 970 to: DG. (Residue 971: U, Nonterminal, was not found in name map.) Unknown residue: U number: 971 type: Nonterminal (Residue 972: U, Nonterminal, was not found in name map.) Unknown residue: U number: 972 type: Nonterminal Mapped residue C, term: Nonterminal, seq. number: 973 to: DC. Mapped residue A, term: Nonterminal, seq. number: 974 to: DA. Mapped residue A, term: Nonterminal, seq. number: 975 to: DA. Mapped residue G, term: Nonterminal, seq. number: 976 to: DG. (Residue 977: U, Nonterminal, was not found in name map.) Unknown residue: U number: 977 type: Nonterminal Mapped residue C, term: Nonterminal, seq. number: 978 to: DC. Mapped residue C, term: Nonterminal, seq. number: 979 to: DC. Mapped residue A, term: Nonterminal, seq. number: 980 to: DA. Mapped residue C, term: Nonterminal, seq. number: 981 to: DC. (Residue 982: U, Nonterminal, was not found in name map.) Unknown residue: U number: 982 type: Nonterminal Mapped residue C, term: Nonterminal, seq. number: 983 to: DC. Mapped residue A, term: Nonterminal, seq. number: 984 to: DA. Mapped residue G, term: Nonterminal, seq. number: 985 to: DG. Mapped residue G, term: Nonterminal, seq. number: 986 to: DG. Mapped residue C, term: Nonterminal, seq. number: 987 to: DC. Mapped residue C, term: Nonterminal, seq. number: 988 to: DC. Mapped residue C, term: Nonterminal, seq. number: 989 to: DC. Mapped residue A, term: Nonterminal, seq. number: 990 to: DA. Mapped residue C, term: Terminal/last, seq. number: 991 to: DC3. Joining NMET - ASP Joining ASP - TYR Joining TYR - GLU Joining GLU - LYS Joining LYS - THR Joining THR - LEU Joining LEU - LEU Joining LEU - MET Joining MET - PRO Joining PRO - LYS Joining LYS - THR Joining THR - ASP Joining ASP - PHE Joining PHE - PRO Joining PRO - MET Joining MET - ARG Joining ARG - GLY Joining GLY - GLY Joining GLY - LEU Joining LEU - PRO Joining PRO - ASN Joining ASN - LYS Joining LYS - GLU Joining GLU - PRO Joining PRO - GLN Joining GLN - ILE Joining ILE - GLN Joining GLN - GLU Joining GLU - LYS Joining LYS - TRP Joining TRP - ASP Joining ASP - ALA Joining ALA - GLU Joining GLU - ASP Joining ASP - GLN Joining GLN - TYR Joining TYR - HIE Joining HIE - LYS Joining LYS - ALA Joining ALA - LEU Joining LEU - GLU Joining GLU - LYS Joining LYS - ASN Joining ASN - LYS Joining LYS - GLY Joining GLY - ASN Joining ASN - GLU Joining GLU - THR Joining THR - PHE Joining PHE - ILE Joining ILE - LEU Joining LEU - HIE Joining HIE - ASP Joining ASP - GLY Joining GLY - PRO Joining PRO - PRO Joining PRO - TYR Joining TYR - ALA Joining ALA - ASN Joining ASN - GLY Joining GLY - ASN Joining ASN - LEU Joining LEU - HIE Joining HIE - MET Joining MET - GLY Joining GLY - HIE Joining HIE - ALA Joining ALA - LEU Joining LEU - ASN Joining ASN - LYS Joining LYS - ILE Joining ILE - LEU Joining LEU - LYS Joining LYS - ASP Joining ASP - PHE Joining PHE - ILE Joining ILE - VAL Joining VAL - ARG Joining ARG - TYR Joining TYR - LYS Joining LYS - THR Joining THR - MET Joining MET - GLN Joining GLN - GLY Joining GLY - PHE Joining PHE - TYR Joining TYR - ALA Joining ALA - PRO Joining PRO - TYR Joining TYR - VAL Joining VAL - PRO Joining PRO - GLY Joining GLY - TRP Joining TRP - ASP Joining ASP - THR Joining THR - HIE Joining HIE - GLY Joining GLY - LEU Joining LEU - PRO Joining PRO - ILE Joining ILE - GLU Joining GLU - GLN Joining GLN - ALA Joining ALA - LEU Joining LEU - THR Joining THR - LYS Joining LYS - LYS Joining LYS - GLY Joining GLY - VAL Joining VAL - ASP Joining ASP - ARG Joining ARG - LYS Joining LYS - LYS Joining LYS - MET Joining MET - SER Joining SER - THR Joining THR - ALA Joining ALA - GLU Joining GLU - PHE Joining PHE - ARG Joining ARG - GLU Joining GLU - LYS Joining LYS - CYS Joining CYS - LYS Joining LYS - GLU Joining GLU - PHE Joining PHE - ALA Joining ALA - LEU Joining LEU - GLU Joining GLU - GLN Joining GLN - ILE Joining ILE - GLU Joining GLU - LEU Joining LEU - GLN Joining GLN - LYS Joining LYS - LYS Joining LYS - ASP Joining ASP - PHE Joining PHE - ARG Joining ARG - ARG Joining ARG - LEU Joining LEU - GLY Joining GLY - VAL Joining VAL - ARG Joining ARG - GLY Joining GLY - ASP Joining ASP - PHE Joining PHE - ASN Joining ASN - ASP Joining ASP - PRO Joining PRO - TYR Joining TYR - ILE Joining ILE - THR Joining THR - LEU Joining LEU - LYS Joining LYS - PRO Joining PRO - GLU Joining GLU - TYR Joining TYR - GLU Joining GLU - ALA Joining ALA - ALA Joining ALA - GLN Joining GLN - ILE Joining ILE - ARG Joining ARG - ILE Joining ILE - PHE Joining PHE - GLY Joining GLY - GLU Joining GLU - MET Joining MET - ALA Joining ALA - ASP Joining ASP - LYS Joining LYS - GLY Joining GLY - LEU Joining LEU - ILE Joining ILE - TYR Joining TYR - LYS Joining LYS - GLY Joining GLY - LYS Joining LYS - LYS Joining LYS - PRO Joining PRO - VAL Joining VAL - TYR Joining TYR - TRP Joining TRP - SER Joining SER - PRO Joining PRO - SER Joining SER - SER Joining SER - GLU Joining GLU - SER Joining SER - SER Joining SER - LEU Joining LEU - ALA Joining ALA - GLU Joining GLU - ALA Joining ALA - GLU Joining GLU - ILE Joining ILE - GLU Joining GLU - TYR Joining TYR - HIE Joining HIE - ASP Joining ASP - LYS Joining LYS - ARG Joining ARG - SER Joining SER - ALA Joining ALA - SER Joining SER - ILE Joining ILE - TYR Joining TYR - VAL Joining VAL - ALA Joining ALA - PHE Joining PHE - ASN Joining ASN - VAL Joining VAL - LYS Joining LYS - ASP Joining ASP - ASP Joining ASP - LYS Joining LYS - GLY Joining GLY - VAL Joining VAL - VAL Joining VAL - ASP Joining ASP - ALA Joining ALA - ASP Joining ASP - ALA Joining ALA - LYS Joining LYS - PHE Joining PHE - ILE Joining ILE - ILE Joining ILE - TRP Joining TRP - THR Joining THR - THR Joining THR - THR Joining THR - PRO Joining PRO - TRP Joining TRP - THR Joining THR - ILE Joining ILE - PRO Joining PRO - SER Joining SER - ASN Joining ASN - VAL Joining VAL - ALA Joining ALA - ILE Joining ILE - THR Joining THR - VAL Joining VAL - HIE Joining HIE - PRO Joining PRO - GLU Joining GLU - LEU Joining LEU - LYS Joining LYS - TYR Joining TYR - GLY Joining GLY - GLN Joining GLN - TYR Joining TYR - ASN Joining ASN - VAL Joining VAL - ASN Joining ASN - GLY Joining GLY - GLU Joining GLU - LYS Joining LYS - TYR Joining TYR - ILE Joining ILE - ILE Joining ILE - ALA Joining ALA - GLU Joining GLU - ALA Joining ALA - LEU Joining LEU - SER Joining SER - ASP Joining ASP - ALA Joining ALA - VAL Joining VAL - ALA Joining ALA - GLU Joining GLU - ALA Joining ALA - LEU Joining LEU - ASP Joining ASP - TRP Joining TRP - ASP Joining ASP - LYS Joining LYS - ALA Joining ALA - SER Joining SER - ILE Joining ILE - LYS Joining LYS - LEU Joining LEU - GLU Joining GLU - LYS Joining LYS - GLU Joining GLU - TYR Joining TYR - THR Joining THR - GLY Joining GLY - LYS Joining LYS - GLU Joining GLU - LEU Joining LEU - GLU Joining GLU - TRP Joining TRP - VAL Joining VAL - VAL Joining VAL - ALA Joining ALA - GLN Joining GLN - HIE Joining HIE - PRO Joining PRO - PHE Joining PHE - LEU Joining LEU - ASP Joining ASP - ARG Joining ARG - GLU Joining GLU - SER Joining SER - LEU Joining LEU - VAL Joining VAL - ILE Joining ILE - ASN Joining ASN - GLY Joining GLY - ASP Joining ASP - HIE Joining HIE - VAL Joining VAL - THR Joining THR - THR Joining THR - ASP Joining ASP - ALA Joining ALA - GLY Joining GLY - THR Joining THR - GLY Joining GLY - CYS Joining CYS - VAL Joining VAL - HIE Joining HIE - THR Joining THR - ALA Joining ALA - PRO Joining PRO - GLY Joining GLY - HIE Joining HIE - GLY Joining GLY - GLU Joining GLU - ASP Joining ASP - ASP Joining ASP - TYR Joining TYR - ILE Joining ILE - VAL Joining VAL - GLY Joining GLY - GLN Joining GLN - GLN Joining GLN - TYR Joining TYR - GLU Joining GLU - LEU Joining LEU - PRO Joining PRO - VAL Joining VAL - ILE Joining ILE - SER Joining SER - PRO Joining PRO - ILE Joining ILE - ASP Joining ASP - ASP Joining ASP - LYS Joining LYS - GLY Joining GLY - VAL Joining VAL - PHE Joining PHE - THR Joining THR - GLU Joining GLU - GLU Joining GLU - GLY Joining GLY - GLY Joining GLY - GLN Joining GLN - PHE Joining PHE - GLU Joining GLU - GLY Joining GLY - MET Joining MET - PHE Joining PHE - TYR Joining TYR - ASP Joining ASP - LYS Joining LYS - ALA Joining ALA - ASN Joining ASN - LYS Joining LYS - ALA Joining ALA - VAL Joining VAL - THR Joining THR - ASP Joining ASP - LEU Joining LEU - LEU Joining LEU - THR Joining THR - GLU Joining GLU - LYS Joining LYS - GLY Joining GLY - ALA Joining ALA - LEU Joining LEU - LEU Joining LEU - LYS Joining LYS - LEU Joining LEU - ASP Joining ASP - PHE Joining PHE - ILE Joining ILE - THR Joining THR - HIE Joining HIE - SER Joining SER - TYR Joining TYR - PRO Joining PRO - HIE Joining HIE - ASP Joining ASP - TRP Joining TRP - ARG Joining ARG - THR Joining THR - LYS Joining LYS - LYS Joining LYS - PRO Joining PRO - VAL Joining VAL - ILE Joining ILE - PHE Joining PHE - ARG Joining ARG - ALA Joining ALA - THR Joining THR - PRO Joining PRO - GLN Joining GLN - TRP Joining TRP - PHE Joining PHE - ALA Joining ALA - SER Joining SER - ILE Joining ILE - SER Joining SER - LYS Joining LYS - VAL Joining VAL - ARG Joining ARG - GLN Joining GLN - ASP Joining ASP - ILE Joining ILE - LEU Joining LEU - ASP Joining ASP - ALA Joining ALA - ILE Joining ILE - GLU Joining GLU - ASN Joining ASN - THR Joining THR - ASN Joining ASN - PHE Joining PHE - LYS Joining LYS - VAL Joining VAL - ASN Joining ASN - TRP Joining TRP - GLY Joining GLY - LYS Joining LYS - THR Joining THR - ARG Joining ARG - ILE Joining ILE - TYR Joining TYR - ASN Joining ASN - MET Joining MET - VAL Joining VAL - ARG Joining ARG - ASP Joining ASP - ARG Joining ARG - GLY Joining GLY - GLU Joining GLU - TRP Joining TRP - VAL Joining VAL - ILE Joining ILE - SER Joining SER - ARG Joining ARG - GLN Joining GLN - ARG Joining ARG - VAL Joining VAL - TRP Joining TRP - GLY Joining GLY - VAL Joining VAL - PRO Joining PRO - LEU Joining LEU - PRO Joining PRO - VAL Joining VAL - PHE Joining PHE - TYR Joining TYR - ALA Joining ALA - GLU Joining GLU - ASN Joining ASN - GLY Joining GLY - GLU Joining GLU - ILE Joining ILE - ILE Joining ILE - MET Joining MET - THR Joining THR - LYS Joining LYS - GLU Joining GLU - THR Joining THR - VAL Joining VAL - ASN Joining ASN - HIE Joining HIE - VAL Joining VAL - ALA Joining ALA - ASP Joining ASP - LEU Joining LEU - PHE Joining PHE - ALA Joining ALA - GLU Joining GLU - HIE Joining HIE - GLY Joining GLY - SER Joining SER - ASN Joining ASN - ILE Joining ILE - TRP Joining TRP - PHE Joining PHE - GLU Joining GLU - ARG Joining ARG - GLU Joining GLU - ALA Joining ALA - LYS Joining LYS - ASP Joining ASP - LEU Joining LEU - LEU Joining LEU - PRO Joining PRO - GLU Joining GLU - GLY Joining GLY - PHE Joining PHE - THR Joining THR - HIE Joining HIE - PRO Joining PRO - GLY Joining GLY - SER Joining SER - PRO Joining PRO - ASN Joining ASN - GLY Joining GLY - THR Joining THR - PHE Joining PHE - THR Joining THR - LYS Joining LYS - GLU Joining GLU - THR Joining THR - ASP Joining ASP - ILE Joining ILE - MET Joining MET - ASP Joining ASP - VAL Joining VAL - TRP Joining TRP - PHE Joining PHE - ASP Joining ASP - SER Joining SER - GLY Joining GLY - SER Joining SER - SER Joining SER - HIE Joining HIE - ARG Joining ARG - GLY Joining GLY - VAL Joining VAL - LEU Joining LEU - GLU Joining GLU - THR Joining THR - ARG Joining ARG - PRO Joining PRO - GLU Joining GLU - LEU Joining LEU - SER Joining SER - PHE Joining PHE - PRO Joining PRO - ALA Joining ALA - ASP Joining ASP - MET Joining MET - TYR Joining TYR - LEU Joining LEU - GLU Joining GLU - GLY Joining GLY - SER Joining SER - ASP Joining ASP - GLN Joining GLN - TYR Joining TYR - ARG Joining ARG - GLY Joining GLY - TRP Joining TRP - PHE Joining PHE - ASN Joining ASN - SER Joining SER - SER Joining SER - ILE Joining ILE - THR Joining THR - THR Joining THR - SER Joining SER - VAL Joining VAL - ALA Joining ALA - THR Joining THR - ARG Joining ARG - GLY Joining GLY - VAL Joining VAL - SER Joining SER - PRO Joining PRO - TYR Joining TYR - LYS Joining LYS - PHE Joining PHE - LEU Joining LEU - LEU Joining LEU - SER Joining SER - HIE Joining HIE - GLY Joining GLY - PHE Joining PHE - VAL Joining VAL - MET Joining MET - ASP Joining ASP - GLY Joining GLY - GLU Joining GLU - GLY Joining GLY - LYS Joining LYS - LYS Joining LYS - MET Joining MET - SER Joining SER - LYS Joining LYS - SER Joining SER - LEU Joining LEU - GLY Joining GLY - ASN Joining ASN - VAL Joining VAL - ILE Joining ILE - VAL Joining VAL - PRO Joining PRO - ASP Joining ASP - GLN Joining GLN - VAL Joining VAL - VAL Joining VAL - LYS Joining LYS - GLN Joining GLN - LYS Joining LYS - GLY Joining GLY - ALA Joining ALA - ASP Joining ASP - ILE Joining ILE - ALA Joining ALA - ARG Joining ARG - LEU Joining LEU - TRP Joining TRP - VAL Joining VAL - SER Joining SER - SER Joining SER - THR Joining THR - ASP Joining ASP - TYR Joining TYR - LEU Joining LEU - ALA Joining ALA - ASP Joining ASP - VAL Joining VAL - ARG Joining ARG - ILE Joining ILE - SER Joining SER - ASP Joining ASP - GLU Joining GLU - ILE Joining ILE - LEU Joining LEU - LYS Joining LYS - GLN Joining GLN - THR Joining THR - SER Joining SER - ASP Joining ASP - ASP Joining ASP - TYR Joining TYR - ARG Joining ARG - LYS Joining LYS - ILE Joining ILE - ARG Joining ARG - ASN Joining ASN - THR Joining THR - LEU Joining LEU - ARG Joining ARG - PHE Joining PHE - MET Joining MET - LEU Joining LEU - GLY Joining GLY - ASN Joining ASN - ILE Joining ILE - ASN Joining ASN - ASP Joining ASP - PHE Joining PHE - ASN Joining ASN - PRO Joining PRO - ASP Joining ASP - THR Joining THR - ASP Joining ASP - SER Joining SER - ILE Joining ILE - PRO Joining PRO - GLU Joining GLU - SER Joining SER - GLU Joining GLU - LEU Joining LEU - LEU Joining LEU - GLU Joining GLU - VAL Joining VAL - ASP Joining ASP - ARG Joining ARG - TYR Joining TYR - LEU Joining LEU - LEU Joining LEU - ASN Joining ASN - ARG Joining ARG - LEU Joining LEU - ARG Joining ARG - GLU Joining GLU - PHE Joining PHE - THR Joining THR - ALA Joining ALA - SER Joining SER - THR Joining THR - ILE Joining ILE - ASN Joining ASN - ASN Joining ASN - TYR Joining TYR - GLU Joining GLU - ASN Joining ASN - PHE Joining PHE - ASP Joining ASP - TYR Joining TYR - LEU Joining LEU - ASN Joining ASN - ILE Joining ILE - TYR Joining TYR - GLN Joining GLN - GLU Joining GLU - VAL Joining VAL - GLN Joining GLN - ASN Joining ASN - PHE Joining PHE - ILE Joining ILE - ASN Joining ASN - VAL Joining VAL - GLU Joining GLU - LEU Joining LEU - SER Joining SER - ASN Joining ASN - PHE Joining PHE - TYR Joining TYR - LEU Joining LEU - ASP Joining ASP - TYR Joining TYR - GLY Joining GLY - LYS Joining LYS - ASP Joining ASP - ILE Joining ILE - LEU Joining LEU - TYR Joining TYR - ILE Joining ILE - GLU Joining GLU - GLN Joining GLN - ARG Joining ARG - ASP Joining ASP - SER Joining SER - HIE Joining HIE - ILE Joining ILE - ARG Joining ARG - ARG Joining ARG - SER Joining SER - MET Joining MET - GLN Joining GLN - THR Joining THR - VAL Joining VAL - LEU Joining LEU - TYR Joining TYR - GLN Joining GLN - ILE Joining ILE - LEU Joining LEU - VAL Joining VAL - ASP Joining ASP - MET Joining MET - THR Joining THR - LYS Joining LYS - LEU Joining LEU - LEU Joining LEU - ALA Joining ALA - PRO Joining PRO - ILE Joining ILE - LEU Joining LEU - VAL Joining VAL - HIE Joining HIE - THR Joining THR - ALA Joining ALA - GLU Joining GLU - GLU Joining GLU - VAL Joining VAL - TRP Joining TRP - SER Joining SER - HIE Joining HIE - THR Joining THR - PRO Joining PRO - HIE Joining HIE - VAL Joining VAL - LYS Joining LYS - GLU Joining GLU - GLU Joining GLU - SER Joining SER - VAL Joining VAL - HIE Joining HIE - LEU Joining LEU - ALA Joining ALA - ASP Joining ASP - MET Joining MET - PRO Joining PRO - LYS Joining LYS - VAL Joining VAL - VAL Joining VAL - GLU Joining GLU - VAL Joining VAL - ASP Joining ASP - GLN Joining GLN - ALA Joining ALA - LEU Joining LEU - LEU Joining LEU - ASP Joining ASP - LYS Joining LYS - TRP Joining TRP - ARG Joining ARG - THR Joining THR - PHE Joining PHE - MET Joining MET - ASN Joining ASN - LEU Joining LEU - ARG Joining ARG - ASP Joining ASP - ASP Joining ASP - VAL Joining VAL - ASN Joining ASN - ARG Joining ARG - ALA Joining ALA - LEU Joining LEU - GLU Joining GLU - THR Joining THR - ALA Joining ALA - ARG Joining ARG - ASN Joining ASN - GLU Joining GLU - LYS Joining LYS - VAL Joining VAL - ILE Joining ILE - GLY Joining GLY - LYS Joining LYS - SER Joining SER - LEU Joining LEU - GLU Joining GLU - ALA Joining ALA - LYS Joining LYS - VAL Joining VAL - THR Joining THR - ILE Joining ILE - ALA Joining ALA - SER Joining SER - ASN Joining ASN - ASP Joining ASP - LYS Joining LYS - PHE Joining PHE - ASN Joining ASN - ALA Joining ALA - SER Joining SER - GLU Joining GLU - PHE Joining PHE - LEU Joining LEU - THR Joining THR - SER Joining SER - PHE Joining PHE - ASP Joining ASP - ALA Joining ALA - LEU Joining LEU - HIE Joining HIE - GLN Joining GLN - LEU Joining LEU - PHE Joining PHE - ILE Joining ILE - VAL Joining VAL - SER Joining SER - GLN Joining GLN - VAL Joining VAL - LYS Joining LYS - VAL Joining VAL - VAL Joining VAL - ASP Joining ASP - LYS Joining LYS - LEU Joining LEU - ASP Joining ASP - ASP Joining ASP - GLN Joining GLN - ALA Joining ALA - THR Joining THR - ALA Joining ALA - TYR Joining TYR - GLU Joining GLU - HIE Joining HIE - GLY Joining GLY - ASP Joining ASP - ILE Joining ILE - VAL Joining VAL - ILE Joining ILE - GLU Joining GLU - HIE Joining HIE - ALA Joining ALA - ASP Joining ASP - GLY Joining GLY - GLU Joining GLU - LYS Joining LYS - CYS Joining CYS - GLU Joining GLU - ARG Joining ARG - CYS Joining CYS - TRP Joining TRP - ASN Joining ASN - TYR Joining TYR - SER Joining SER - GLU Joining GLU - ASP Joining ASP - LEU Joining LEU - GLY Joining GLY - ALA Joining ALA - VAL Joining VAL - ASP Joining ASP - GLU Joining GLU - LEU Joining LEU - THR Joining THR - HIE Joining HIE - LEU Joining LEU - CYS Joining CYS - PRO Joining PRO - ARG Joining ARG - CYS Joining CYS - GLN Joining GLN - GLN Joining GLN - VAL Joining VAL - VAL Joining VAL - LYS Joining LYS - SER Joining SER - LEU Joining LEU - CVAL Created a new atom named: O2' within residue: .R Joining DG5 - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 922 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R Creating new UNIT for residue: U sequence: 923 Starting new chain with Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 925 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 929 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 934 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 937 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R Creating new UNIT for residue: U sequence: 938 Starting new chain with Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 951 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 954 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 960 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 965 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 969 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 972 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R Creating new UNIT for residue: U sequence: 973 Starting new chain with Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 978 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 983 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DC3 Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A total atoms in file: 9010 Leap added 7985 missing atoms according to residue templates: 116 Heavy 7869 H / lone pairs The file contained 495 atoms not in residue templates > > > saveamberparm prot prot.prmcrd prot.prmtop Checking Unit. WARNING: The unperturbed charge of the unit: -95.000000 is not zero. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A

does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A

does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A

does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A

does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A

does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A

does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A

does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A

does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A

does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A

does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A

does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A

does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A

does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A

does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A

does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A

does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. Failed to generate parameters Parameter file was not saved. > edit prot Unit Editor: No atoms selected log started: Tue Jan 27 13:40:15 2009 Log file: ./leap.log >> # >> # ----- leaprc for loading the ff99SB (Hornak & Simmerling) 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" } >> { "CG" "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" } >> { "EP" "" "sp3" } >> # glycam >> { "OG" "O" "sp3" } >> { "OL" "O" "sp3" } >> { "AC" "C" "sp3" } >> { "EC" "C" "sp3" } >> } >> # >> # Load the main parameter set. >> # >> parm99 = loadamberparams parm99.dat Loading parameters: /usr/local/amber9//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: IM) (UNKNOWN ATOM TYPE: Li) (UNKNOWN ATOM TYPE: IP) (UNKNOWN ATOM TYPE: K) (UNKNOWN ATOM TYPE: Rb) (UNKNOWN ATOM TYPE: Cs) (UNKNOWN ATOM TYPE: Zn) (UNKNOWN ATOM TYPE: IB) (UNKNOWN ATOM TYPE: LP) >> frcmod99SB = loadamberparams frcmod.ff99SB Loading parameters: /usr/local/amber9//dat/leap/parm/frcmod.ff99SB Reading force field modification type file (frcmod) Reading title: Modification/update of parm99.dat (Hornak & Simmerling) >> # >> # Load DNA/RNA libraries >> # >> loadOff all_nucleic94.lib Loading library: /usr/local/amber9//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 (i.e. ff94 libs) >> # >> loadOff all_amino94.lib Loading library: /usr/local/amber9//dat/leap/lib/all_amino94.lib 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: PHE Loading: PRO Loading: SER Loading: THR Loading: TRP Loading: TYR Loading: VAL >> loadOff all_aminoct94.lib Loading library: /usr/local/amber9//dat/leap/lib/all_aminoct94.lib Loading: CALA Loading: CARG Loading: CASN Loading: CASP Loading: CCYS Loading: CCYX 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_aminont94.lib Loading library: /usr/local/amber9//dat/leap/lib/all_aminont94.lib Loading: ACE Loading: NALA Loading: NARG Loading: NASN Loading: NASP Loading: NCYS Loading: NCYX 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 >> # >> # Load water and ions >> # >> loadOff ions94.lib Loading library: /usr/local/amber9//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: /usr/local/amber9//dat/leap/lib/solvents.lib Loading: CHCL3BOX Loading: DC4 Loading: MEOHBOX Loading: NMABOX Loading: PL3 Loading: POL3BOX Loading: SPC Loading: SPCBOX Loading: SPCFWBOX Loading: SPF Loading: T4E Loading: TIP3PBOX Loading: TIP4PBOX Loading: TIP4PEWBOX Loading: TP3 Loading: TP4 Loading: TP5 >> HOH = TP3 >> WAT = TP3 >> >> # >> # 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" "DG5" } { 1 "G" "DG3" } { "G" "DG" } { "GN" "DGN" } >> { 0 "A" "DA5" } { 1 "A" "DA3" } { "A" "DA" } { "AN" "DAN" } >> { 0 "C" "DC5" } { 1 "C" "DC3" } { "C" "DC" } { "CN" "DCN" } >> { 0 "T" "DT5" } { 1 "T" "DT3" } { "T" "DT" } { "TN" "DTN" } >> { 0 "C5" "DC5" } >> { 0 "G5" "DG5" } >> { 0 "A5" "DA5" } >> { 0 "T5" "DT5" } >> { 1 "C3" "DC3" } >> { 1 "G3" "DG3" } >> { 1 "A3" "DA3" } >> { 1 "T3" "DT3" } >> >> } >> >> addPdbAtomMap { >> { "O5*" "O5'" } >> { "C5*" "C5'" } >> { "C4*" "C4'" } >> { "O4*" "O4'" } >> { "C3*" "C3'" } >> { "O3*" "O3'" } >> { "C2*" "C2'" } >> { "C1*" "C1'" } >> { "C5M" "C7" } >> { "H1*" "H1'" } >> { "H2*1" "H2'1" } >> { "H2*2" "H2'2" } >> { "H3*" "H3'" } >> { "H4*" "H4'" } >> { "H5*1" "H5'1" } >> { "H5*2" "H5'2" } >> # old ff atom names -> new >> { "O1'" "O4'" } >> { "OA" "O1P" } >> { "OB" "O2P" } >> } >> >> >> # >> # assumed that most often proteins use HIE >> # >> NHIS = NHIE >> HIS = HIE >> CHIS = CHIE > > prot = loadpdb 1QU2.pdb Loading PDB file: ./1QU2.pdb Enter zPdbReadScan from call depth 0. Exit zPdbReadScan from call depth 0. Matching PDB residue names to LEaP variables. Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET. (Residue 1: ASP, Nonterminal, was not found in name map.) (Residue 2: TYR, Nonterminal, was not found in name map.) (Residue 3: GLU, Nonterminal, was not found in name map.) (Residue 4: LYS, Nonterminal, was not found in name map.) (Residue 5: THR, Nonterminal, was not found in name map.) (Residue 6: LEU, Nonterminal, was not found in name map.) (Residue 7: LEU, Nonterminal, was not found in name map.) (Residue 8: MET, Nonterminal, was not found in name map.) (Residue 9: PRO, Nonterminal, was not found in name map.) (Residue 10: LYS, Nonterminal, was not found in name map.) (Residue 11: THR, Nonterminal, was not found in name map.) (Residue 12: ASP, Nonterminal, was not found in name map.) (Residue 13: PHE, Nonterminal, was not found in name map.) (Residue 14: PRO, Nonterminal, was not found in name map.) (Residue 15: MET, Nonterminal, was not found in name map.) (Residue 16: ARG, Nonterminal, was not found in name map.) (Residue 17: GLY, Nonterminal, was not found in name map.) (Residue 18: GLY, Nonterminal, was not found in name map.) (Residue 19: LEU, Nonterminal, was not found in name map.) (Residue 20: PRO, Nonterminal, was not found in name map.) (Residue 21: ASN, Nonterminal, was not found in name map.) (Residue 22: LYS, Nonterminal, was not found in name map.) (Residue 23: GLU, Nonterminal, was not found in name map.) (Residue 24: PRO, Nonterminal, was not found in name map.) (Residue 25: GLN, Nonterminal, was not found in name map.) (Residue 26: ILE, Nonterminal, was not found in name map.) (Residue 27: GLN, Nonterminal, was not found in name map.) (Residue 28: GLU, Nonterminal, was not found in name map.) (Residue 29: LYS, Nonterminal, was not found in name map.) (Residue 30: TRP, Nonterminal, was not found in name map.) (Residue 31: ASP, Nonterminal, was not found in name map.) (Residue 32: ALA, Nonterminal, was not found in name map.) (Residue 33: GLU, Nonterminal, was not found in name map.) (Residue 34: ASP, Nonterminal, was not found in name map.) (Residue 35: GLN, Nonterminal, was not found in name map.) (Residue 36: TYR, Nonterminal, was not found in name map.) (Residue 37: HIS, Nonterminal, was not found in name map.) (Residue 38: LYS, Nonterminal, was not found in name map.) (Residue 39: ALA, Nonterminal, was not found in name map.) (Residue 40: LEU, Nonterminal, was not found in name map.) (Residue 41: GLU, Nonterminal, was not found in name map.) (Residue 42: LYS, Nonterminal, was not found in name map.) (Residue 43: ASN, Nonterminal, was not found in name map.) (Residue 44: LYS, Nonterminal, was not found in name map.) (Residue 45: GLY, Nonterminal, was not found in name map.) (Residue 46: ASN, Nonterminal, was not found in name map.) (Residue 47: GLU, Nonterminal, was not found in name map.) (Residue 48: THR, Nonterminal, was not found in name map.) (Residue 49: PHE, Nonterminal, was not found in name map.) (Residue 50: ILE, Nonterminal, was not found in name map.) (Residue 51: LEU, Nonterminal, was not found in name map.) (Residue 52: HIS, Nonterminal, was not found in name map.) (Residue 53: ASP, Nonterminal, was not found in name map.) (Residue 54: GLY, Nonterminal, was not found in name map.) (Residue 55: PRO, Nonterminal, was not found in name map.) (Residue 56: PRO, Nonterminal, was not found in name map.) (Residue 57: TYR, Nonterminal, was not found in name map.) (Residue 58: ALA, Nonterminal, was not found in name map.) (Residue 59: ASN, Nonterminal, was not found in name map.) (Residue 60: GLY, Nonterminal, was not found in name map.) (Residue 61: ASN, Nonterminal, was not found in name map.) (Residue 62: LEU, Nonterminal, was not found in name map.) (Residue 63: HIS, Nonterminal, was not found in name map.) (Residue 64: MET, Nonterminal, was not found in name map.) (Residue 65: GLY, Nonterminal, was not found in name map.) (Residue 66: HIS, Nonterminal, was not found in name map.) (Residue 67: ALA, Nonterminal, was not found in name map.) (Residue 68: LEU, Nonterminal, was not found in name map.) (Residue 69: ASN, Nonterminal, was not found in name map.) (Residue 70: LYS, Nonterminal, was not found in name map.) (Residue 71: ILE, Nonterminal, was not found in name map.) (Residue 72: LEU, Nonterminal, was not found in name map.) (Residue 73: LYS, Nonterminal, was not found in name map.) (Residue 74: ASP, Nonterminal, was not found in name map.) (Residue 75: PHE, Nonterminal, was not found in name map.) (Residue 76: ILE, Nonterminal, was not found in name map.) (Residue 77: VAL, Nonterminal, was not found in name map.) (Residue 78: ARG, Nonterminal, was not found in name map.) (Residue 79: TYR, Nonterminal, was not found in name map.) (Residue 80: LYS, Nonterminal, was not found in name map.) (Residue 81: THR, Nonterminal, was not found in name map.) (Residue 82: MET, Nonterminal, was not found in name map.) (Residue 83: GLN, Nonterminal, was not found in name map.) (Residue 84: GLY, Nonterminal, was not found in name map.) (Residue 85: PHE, Nonterminal, was not found in name map.) (Residue 86: TYR, Nonterminal, was not found in name map.) (Residue 87: ALA, Nonterminal, was not found in name map.) (Residue 88: PRO, Nonterminal, was not found in name map.) (Residue 89: TYR, Nonterminal, was not found in name map.) (Residue 90: VAL, Nonterminal, was not found in name map.) (Residue 91: PRO, Nonterminal, was not found in name map.) (Residue 92: GLY, Nonterminal, was not found in name map.) (Residue 93: TRP, Nonterminal, was not found in name map.) (Residue 94: ASP, Nonterminal, was not found in name map.) (Residue 95: THR, Nonterminal, was not found in name map.) (Residue 96: HIS, Nonterminal, was not found in name map.) (Residue 97: GLY, Nonterminal, was not found in name map.) (Residue 98: LEU, Nonterminal, was not found in name map.) (Residue 99: PRO, Nonterminal, was not found in name map.) (Residue 100: ILE, Nonterminal, was not found in name map.) (Residue 101: GLU, Nonterminal, was not found in name map.) (Residue 102: GLN, Nonterminal, was not found in name map.) (Residue 103: ALA, Nonterminal, was not found in name map.) (Residue 104: LEU, Nonterminal, was not found in name map.) (Residue 105: THR, Nonterminal, was not found in name map.) (Residue 106: LYS, Nonterminal, was not found in name map.) (Residue 107: LYS, Nonterminal, was not found in name map.) (Residue 108: GLY, Nonterminal, was not found in name map.) (Residue 109: VAL, Nonterminal, was not found in name map.) (Residue 110: ASP, Nonterminal, was not found in name map.) (Residue 111: ARG, Nonterminal, was not found in name map.) (Residue 112: LYS, Nonterminal, was not found in name map.) (Residue 113: LYS, Nonterminal, was not found in name map.) (Residue 114: MET, Nonterminal, was not found in name map.) (Residue 115: SER, Nonterminal, was not found in name map.) (Residue 116: THR, Nonterminal, was not found in name map.) (Residue 117: ALA, Nonterminal, was not found in name map.) (Residue 118: GLU, Nonterminal, was not found in name map.) (Residue 119: PHE, Nonterminal, was not found in name map.) (Residue 120: ARG, Nonterminal, was not found in name map.) (Residue 121: GLU, Nonterminal, was not found in name map.) (Residue 122: LYS, Nonterminal, was not found in name map.) (Residue 123: CYS, Nonterminal, was not found in name map.) (Residue 124: LYS, Nonterminal, was not found in name map.) (Residue 125: GLU, Nonterminal, was not found in name map.) (Residue 126: PHE, Nonterminal, was not found in name map.) (Residue 127: ALA, Nonterminal, was not found in name map.) (Residue 128: LEU, Nonterminal, was not found in name map.) (Residue 129: GLU, Nonterminal, was not found in name map.) (Residue 130: GLN, Nonterminal, was not found in name map.) (Residue 131: ILE, Nonterminal, was not found in name map.) (Residue 132: GLU, Nonterminal, was not found in name map.) (Residue 133: LEU, Nonterminal, was not found in name map.) (Residue 134: GLN, Nonterminal, was not found in name map.) (Residue 135: LYS, Nonterminal, was not found in name map.) (Residue 136: LYS, Nonterminal, was not found in name map.) (Residue 137: ASP, Nonterminal, was not found in name map.) (Residue 138: PHE, Nonterminal, was not found in name map.) (Residue 139: ARG, Nonterminal, was not found in name map.) (Residue 140: ARG, Nonterminal, was not found in name map.) (Residue 141: LEU, Nonterminal, was not found in name map.) (Residue 142: GLY, Nonterminal, was not found in name map.) (Residue 143: VAL, Nonterminal, was not found in name map.) (Residue 144: ARG, Nonterminal, was not found in name map.) (Residue 145: GLY, Nonterminal, was not found in name map.) (Residue 146: ASP, Nonterminal, was not found in name map.) (Residue 147: PHE, Nonterminal, was not found in name map.) (Residue 148: ASN, Nonterminal, was not found in name map.) (Residue 149: ASP, Nonterminal, was not found in name map.) (Residue 150: PRO, Nonterminal, was not found in name map.) (Residue 151: TYR, Nonterminal, was not found in name map.) (Residue 152: ILE, Nonterminal, was not found in name map.) (Residue 153: THR, Nonterminal, was not found in name map.) (Residue 154: LEU, Nonterminal, was not found in name map.) (Residue 155: LYS, Nonterminal, was not found in name map.) (Residue 156: PRO, Nonterminal, was not found in name map.) (Residue 157: GLU, Nonterminal, was not found in name map.) (Residue 158: TYR, Nonterminal, was not found in name map.) (Residue 159: GLU, Nonterminal, was not found in name map.) (Residue 160: ALA, Nonterminal, was not found in name map.) (Residue 161: ALA, Nonterminal, was not found in name map.) (Residue 162: GLN, Nonterminal, was not found in name map.) (Residue 163: ILE, Nonterminal, was not found in name map.) (Residue 164: ARG, Nonterminal, was not found in name map.) (Residue 165: ILE, Nonterminal, was not found in name map.) (Residue 166: PHE, Nonterminal, was not found in name map.) (Residue 167: GLY, Nonterminal, was not found in name map.) (Residue 168: GLU, Nonterminal, was not found in name map.) (Residue 169: MET, Nonterminal, was not found in name map.) (Residue 170: ALA, Nonterminal, was not found in name map.) (Residue 171: ASP, Nonterminal, was not found in name map.) (Residue 172: LYS, Nonterminal, was not found in name map.) (Residue 173: GLY, Nonterminal, was not found in name map.) (Residue 174: LEU, Nonterminal, was not found in name map.) (Residue 175: ILE, Nonterminal, was not found in name map.) (Residue 176: TYR, Nonterminal, was not found in name map.) (Residue 177: LYS, Nonterminal, was not found in name map.) (Residue 178: GLY, Nonterminal, was not found in name map.) (Residue 179: LYS, Nonterminal, was not found in name map.) (Residue 180: LYS, Nonterminal, was not found in name map.) (Residue 181: PRO, Nonterminal, was not found in name map.) (Residue 182: VAL, Nonterminal, was not found in name map.) (Residue 183: TYR, Nonterminal, was not found in name map.) (Residue 184: TRP, Nonterminal, was not found in name map.) (Residue 185: SER, Nonterminal, was not found in name map.) (Residue 186: PRO, Nonterminal, was not found in name map.) (Residue 187: SER, Nonterminal, was not found in name map.) (Residue 188: SER, Nonterminal, was not found in name map.) (Residue 189: GLU, Nonterminal, was not found in name map.) (Residue 190: SER, Nonterminal, was not found in name map.) (Residue 191: SER, Nonterminal, was not found in name map.) (Residue 192: LEU, Nonterminal, was not found in name map.) (Residue 193: ALA, Nonterminal, was not found in name map.) (Residue 194: GLU, Nonterminal, was not found in name map.) (Residue 195: ALA, Nonterminal, was not found in name map.) (Residue 196: GLU, Nonterminal, was not found in name map.) (Residue 197: ILE, Nonterminal, was not found in name map.) (Residue 198: GLU, Nonterminal, was not found in name map.) (Residue 199: TYR, Nonterminal, was not found in name map.) (Residue 200: HIS, Nonterminal, was not found in name map.) (Residue 201: ASP, Nonterminal, was not found in name map.) (Residue 202: LYS, Nonterminal, was not found in name map.) (Residue 203: ARG, Nonterminal, was not found in name map.) (Residue 204: SER, Nonterminal, was not found in name map.) (Residue 205: ALA, Nonterminal, was not found in name map.) (Residue 206: SER, Nonterminal, was not found in name map.) (Residue 207: ILE, Nonterminal, was not found in name map.) (Residue 208: TYR, Nonterminal, was not found in name map.) (Residue 209: VAL, Nonterminal, was not found in name map.) (Residue 210: ALA, Nonterminal, was not found in name map.) (Residue 211: PHE, Nonterminal, was not found in name map.) (Residue 212: ASN, Nonterminal, was not found in name map.) (Residue 213: VAL, Nonterminal, was not found in name map.) (Residue 214: LYS, Nonterminal, was not found in name map.) (Residue 215: ASP, Nonterminal, was not found in name map.) (Residue 216: ASP, Nonterminal, was not found in name map.) (Residue 217: LYS, Nonterminal, was not found in name map.) (Residue 218: GLY, Nonterminal, was not found in name map.) (Residue 219: VAL, Nonterminal, was not found in name map.) (Residue 220: VAL, Nonterminal, was not found in name map.) (Residue 221: ASP, Nonterminal, was not found in name map.) (Residue 222: ALA, Nonterminal, was not found in name map.) (Residue 223: ASP, Nonterminal, was not found in name map.) (Residue 224: ALA, Nonterminal, was not found in name map.) (Residue 225: LYS, Nonterminal, was not found in name map.) (Residue 226: PHE, Nonterminal, was not found in name map.) (Residue 227: ILE, Nonterminal, was not found in name map.) (Residue 228: ILE, Nonterminal, was not found in name map.) (Residue 229: TRP, Nonterminal, was not found in name map.) (Residue 230: THR, Nonterminal, was not found in name map.) (Residue 231: THR, Nonterminal, was not found in name map.) (Residue 232: THR, Nonterminal, was not found in name map.) (Residue 233: PRO, Nonterminal, was not found in name map.) (Residue 234: TRP, Nonterminal, was not found in name map.) (Residue 235: THR, Nonterminal, was not found in name map.) (Residue 236: ILE, Nonterminal, was not found in name map.) (Residue 237: PRO, Nonterminal, was not found in name map.) (Residue 238: SER, Nonterminal, was not found in name map.) (Residue 239: ASN, Nonterminal, was not found in name map.) (Residue 240: VAL, Nonterminal, was not found in name map.) (Residue 241: ALA, Nonterminal, was not found in name map.) (Residue 242: ILE, Nonterminal, was not found in name map.) (Residue 243: THR, Nonterminal, was not found in name map.) (Residue 244: VAL, Nonterminal, was not found in name map.) (Residue 245: HIS, Nonterminal, was not found in name map.) (Residue 246: PRO, Nonterminal, was not found in name map.) (Residue 247: GLU, Nonterminal, was not found in name map.) (Residue 248: LEU, Nonterminal, was not found in name map.) (Residue 249: LYS, Nonterminal, was not found in name map.) (Residue 250: TYR, Nonterminal, was not found in name map.) (Residue 251: GLY, Nonterminal, was not found in name map.) (Residue 252: GLN, Nonterminal, was not found in name map.) (Residue 253: TYR, Nonterminal, was not found in name map.) (Residue 254: ASN, Nonterminal, was not found in name map.) (Residue 255: VAL, Nonterminal, was not found in name map.) (Residue 256: ASN, Nonterminal, was not found in name map.) (Residue 257: GLY, Nonterminal, was not found in name map.) (Residue 258: GLU, Nonterminal, was not found in name map.) (Residue 259: LYS, Nonterminal, was not found in name map.) (Residue 260: TYR, Nonterminal, was not found in name map.) (Residue 261: ILE, Nonterminal, was not found in name map.) (Residue 262: ILE, Nonterminal, was not found in name map.) (Residue 263: ALA, Nonterminal, was not found in name map.) (Residue 264: GLU, Nonterminal, was not found in name map.) (Residue 265: ALA, Nonterminal, was not found in name map.) (Residue 266: LEU, Nonterminal, was not found in name map.) (Residue 267: SER, Nonterminal, was not found in name map.) (Residue 268: ASP, Nonterminal, was not found in name map.) (Residue 269: ALA, Nonterminal, was not found in name map.) (Residue 270: VAL, Nonterminal, was not found in name map.) (Residue 271: ALA, Nonterminal, was not found in name map.) (Residue 272: GLU, Nonterminal, was not found in name map.) (Residue 273: ALA, Nonterminal, was not found in name map.) (Residue 274: LEU, Nonterminal, was not found in name map.) (Residue 275: ASP, Nonterminal, was not found in name map.) (Residue 276: TRP, Nonterminal, was not found in name map.) (Residue 277: ASP, Nonterminal, was not found in name map.) (Residue 278: LYS, Nonterminal, was not found in name map.) (Residue 279: ALA, Nonterminal, was not found in name map.) (Residue 280: SER, Nonterminal, was not found in name map.) (Residue 281: ILE, Nonterminal, was not found in name map.) (Residue 282: LYS, Nonterminal, was not found in name map.) (Residue 283: LEU, Nonterminal, was not found in name map.) (Residue 284: GLU, Nonterminal, was not found in name map.) (Residue 285: LYS, Nonterminal, was not found in name map.) (Residue 286: GLU, Nonterminal, was not found in name map.) (Residue 287: TYR, Nonterminal, was not found in name map.) (Residue 288: THR, Nonterminal, was not found in name map.) (Residue 289: GLY, Nonterminal, was not found in name map.) (Residue 290: LYS, Nonterminal, was not found in name map.) (Residue 291: GLU, Nonterminal, was not found in name map.) (Residue 292: LEU, Nonterminal, was not found in name map.) (Residue 293: GLU, Nonterminal, was not found in name map.) (Residue 294: TRP, Nonterminal, was not found in name map.) (Residue 295: VAL, Nonterminal, was not found in name map.) (Residue 296: VAL, Nonterminal, was not found in name map.) (Residue 297: ALA, Nonterminal, was not found in name map.) (Residue 298: GLN, Nonterminal, was not found in name map.) (Residue 299: HIS, Nonterminal, was not found in name map.) (Residue 300: PRO, Nonterminal, was not found in name map.) (Residue 301: PHE, Nonterminal, was not found in name map.) (Residue 302: LEU, Nonterminal, was not found in name map.) (Residue 303: ASP, Nonterminal, was not found in name map.) (Residue 304: ARG, Nonterminal, was not found in name map.) (Residue 305: GLU, Nonterminal, was not found in name map.) (Residue 306: SER, Nonterminal, was not found in name map.) (Residue 307: LEU, Nonterminal, was not found in name map.) (Residue 308: VAL, Nonterminal, was not found in name map.) (Residue 309: ILE, Nonterminal, was not found in name map.) (Residue 310: ASN, Nonterminal, was not found in name map.) (Residue 311: GLY, Nonterminal, was not found in name map.) (Residue 312: ASP, Nonterminal, was not found in name map.) (Residue 313: HIS, Nonterminal, was not found in name map.) (Residue 314: VAL, Nonterminal, was not found in name map.) (Residue 315: THR, Nonterminal, was not found in name map.) (Residue 316: THR, Nonterminal, was not found in name map.) (Residue 317: ASP, Nonterminal, was not found in name map.) (Residue 318: ALA, Nonterminal, was not found in name map.) (Residue 319: GLY, Nonterminal, was not found in name map.) (Residue 320: THR, Nonterminal, was not found in name map.) (Residue 321: GLY, Nonterminal, was not found in name map.) (Residue 322: CYS, Nonterminal, was not found in name map.) (Residue 323: VAL, Nonterminal, was not found in name map.) (Residue 324: HIS, Nonterminal, was not found in name map.) (Residue 325: THR, Nonterminal, was not found in name map.) (Residue 326: ALA, Nonterminal, was not found in name map.) (Residue 327: PRO, Nonterminal, was not found in name map.) (Residue 328: GLY, Nonterminal, was not found in name map.) (Residue 329: HIS, Nonterminal, was not found in name map.) (Residue 330: GLY, Nonterminal, was not found in name map.) (Residue 331: GLU, Nonterminal, was not found in name map.) (Residue 332: ASP, Nonterminal, was not found in name map.) (Residue 333: ASP, Nonterminal, was not found in name map.) (Residue 334: TYR, Nonterminal, was not found in name map.) (Residue 335: ILE, Nonterminal, was not found in name map.) (Residue 336: VAL, Nonterminal, was not found in name map.) (Residue 337: GLY, Nonterminal, was not found in name map.) (Residue 338: GLN, Nonterminal, was not found in name map.) (Residue 339: GLN, Nonterminal, was not found in name map.) (Residue 340: TYR, Nonterminal, was not found in name map.) (Residue 341: GLU, Nonterminal, was not found in name map.) (Residue 342: LEU, Nonterminal, was not found in name map.) (Residue 343: PRO, Nonterminal, was not found in name map.) (Residue 344: VAL, Nonterminal, was not found in name map.) (Residue 345: ILE, Nonterminal, was not found in name map.) (Residue 346: SER, Nonterminal, was not found in name map.) (Residue 347: PRO, Nonterminal, was not found in name map.) (Residue 348: ILE, Nonterminal, was not found in name map.) (Residue 349: ASP, Nonterminal, was not found in name map.) (Residue 350: ASP, Nonterminal, was not found in name map.) (Residue 351: LYS, Nonterminal, was not found in name map.) (Residue 352: GLY, Nonterminal, was not found in name map.) (Residue 353: VAL, Nonterminal, was not found in name map.) (Residue 354: PHE, Nonterminal, was not found in name map.) (Residue 355: THR, Nonterminal, was not found in name map.) (Residue 356: GLU, Nonterminal, was not found in name map.) (Residue 357: GLU, Nonterminal, was not found in name map.) (Residue 358: GLY, Nonterminal, was not found in name map.) (Residue 359: GLY, Nonterminal, was not found in name map.) (Residue 360: GLN, Nonterminal, was not found in name map.) (Residue 361: PHE, Nonterminal, was not found in name map.) (Residue 362: GLU, Nonterminal, was not found in name map.) (Residue 363: GLY, Nonterminal, was not found in name map.) (Residue 364: MET, Nonterminal, was not found in name map.) (Residue 365: PHE, Nonterminal, was not found in name map.) (Residue 366: TYR, Nonterminal, was not found in name map.) (Residue 367: ASP, Nonterminal, was not found in name map.) (Residue 368: LYS, Nonterminal, was not found in name map.) (Residue 369: ALA, Nonterminal, was not found in name map.) (Residue 370: ASN, Nonterminal, was not found in name map.) (Residue 371: LYS, Nonterminal, was not found in name map.) (Residue 372: ALA, Nonterminal, was not found in name map.) (Residue 373: VAL, Nonterminal, was not found in name map.) (Residue 374: THR, Nonterminal, was not found in name map.) (Residue 375: ASP, Nonterminal, was not found in name map.) (Residue 376: LEU, Nonterminal, was not found in name map.) (Residue 377: LEU, Nonterminal, was not found in name map.) (Residue 378: THR, Nonterminal, was not found in name map.) (Residue 379: GLU, Nonterminal, was not found in name map.) (Residue 380: LYS, Nonterminal, was not found in name map.) (Residue 381: GLY, Nonterminal, was not found in name map.) (Residue 382: ALA, Nonterminal, was not found in name map.) (Residue 383: LEU, Nonterminal, was not found in name map.) (Residue 384: LEU, Nonterminal, was not found in name map.) (Residue 385: LYS, Nonterminal, was not found in name map.) (Residue 386: LEU, Nonterminal, was not found in name map.) (Residue 387: ASP, Nonterminal, was not found in name map.) (Residue 388: PHE, Nonterminal, was not found in name map.) (Residue 389: ILE, Nonterminal, was not found in name map.) (Residue 390: THR, Nonterminal, was not found in name map.) (Residue 391: HIS, Nonterminal, was not found in name map.) (Residue 392: SER, Nonterminal, was not found in name map.) (Residue 393: TYR, Nonterminal, was not found in name map.) (Residue 394: PRO, Nonterminal, was not found in name map.) (Residue 395: HIS, Nonterminal, was not found in name map.) (Residue 396: ASP, Nonterminal, was not found in name map.) (Residue 397: TRP, Nonterminal, was not found in name map.) (Residue 398: ARG, Nonterminal, was not found in name map.) (Residue 399: THR, Nonterminal, was not found in name map.) (Residue 400: LYS, Nonterminal, was not found in name map.) (Residue 401: LYS, Nonterminal, was not found in name map.) (Residue 402: PRO, Nonterminal, was not found in name map.) (Residue 403: VAL, Nonterminal, was not found in name map.) (Residue 404: ILE, Nonterminal, was not found in name map.) (Residue 405: PHE, Nonterminal, was not found in name map.) (Residue 406: ARG, Nonterminal, was not found in name map.) (Residue 407: ALA, Nonterminal, was not found in name map.) (Residue 408: THR, Nonterminal, was not found in name map.) (Residue 409: PRO, Nonterminal, was not found in name map.) (Residue 410: GLN, Nonterminal, was not found in name map.) (Residue 411: TRP, Nonterminal, was not found in name map.) (Residue 412: PHE, Nonterminal, was not found in name map.) (Residue 413: ALA, Nonterminal, was not found in name map.) (Residue 414: SER, Nonterminal, was not found in name map.) (Residue 415: ILE, Nonterminal, was not found in name map.) (Residue 416: SER, Nonterminal, was not found in name map.) (Residue 417: LYS, Nonterminal, was not found in name map.) (Residue 418: VAL, Nonterminal, was not found in name map.) (Residue 419: ARG, Nonterminal, was not found in name map.) (Residue 420: GLN, Nonterminal, was not found in name map.) (Residue 421: ASP, Nonterminal, was not found in name map.) (Residue 422: ILE, Nonterminal, was not found in name map.) (Residue 423: LEU, Nonterminal, was not found in name map.) (Residue 424: ASP, Nonterminal, was not found in name map.) (Residue 425: ALA, Nonterminal, was not found in name map.) (Residue 426: ILE, Nonterminal, was not found in name map.) (Residue 427: GLU, Nonterminal, was not found in name map.) (Residue 428: ASN, Nonterminal, was not found in name map.) (Residue 429: THR, Nonterminal, was not found in name map.) (Residue 430: ASN, Nonterminal, was not found in name map.) (Residue 431: PHE, Nonterminal, was not found in name map.) (Residue 432: LYS, Nonterminal, was not found in name map.) (Residue 433: VAL, Nonterminal, was not found in name map.) (Residue 434: ASN, Nonterminal, was not found in name map.) (Residue 435: TRP, Nonterminal, was not found in name map.) (Residue 436: GLY, Nonterminal, was not found in name map.) (Residue 437: LYS, Nonterminal, was not found in name map.) (Residue 438: THR, Nonterminal, was not found in name map.) (Residue 439: ARG, Nonterminal, was not found in name map.) (Residue 440: ILE, Nonterminal, was not found in name map.) (Residue 441: TYR, Nonterminal, was not found in name map.) (Residue 442: ASN, Nonterminal, was not found in name map.) (Residue 443: MET, Nonterminal, was not found in name map.) (Residue 444: VAL, Nonterminal, was not found in name map.) (Residue 445: ARG, Nonterminal, was not found in name map.) (Residue 446: ASP, Nonterminal, was not found in name map.) (Residue 447: ARG, Nonterminal, was not found in name map.) (Residue 448: GLY, Nonterminal, was not found in name map.) (Residue 449: GLU, Nonterminal, was not found in name map.) (Residue 450: TRP, Nonterminal, was not found in name map.) (Residue 451: VAL, Nonterminal, was not found in name map.) (Residue 452: ILE, Nonterminal, was not found in name map.) (Residue 453: SER, Nonterminal, was not found in name map.) (Residue 454: ARG, Nonterminal, was not found in name map.) (Residue 455: GLN, Nonterminal, was not found in name map.) (Residue 456: ARG, Nonterminal, was not found in name map.) (Residue 457: VAL, Nonterminal, was not found in name map.) (Residue 458: TRP, Nonterminal, was not found in name map.) (Residue 459: GLY, Nonterminal, was not found in name map.) (Residue 460: VAL, Nonterminal, was not found in name map.) (Residue 461: PRO, Nonterminal, was not found in name map.) (Residue 462: LEU, Nonterminal, was not found in name map.) (Residue 463: PRO, Nonterminal, was not found in name map.) (Residue 464: VAL, Nonterminal, was not found in name map.) (Residue 465: PHE, Nonterminal, was not found in name map.) (Residue 466: TYR, Nonterminal, was not found in name map.) (Residue 467: ALA, Nonterminal, was not found in name map.) (Residue 468: GLU, Nonterminal, was not found in name map.) (Residue 469: ASN, Nonterminal, was not found in name map.) (Residue 470: GLY, Nonterminal, was not found in name map.) (Residue 471: GLU, Nonterminal, was not found in name map.) (Residue 472: ILE, Nonterminal, was not found in name map.) (Residue 473: ILE, Nonterminal, was not found in name map.) (Residue 474: MET, Nonterminal, was not found in name map.) (Residue 475: THR, Nonterminal, was not found in name map.) (Residue 476: LYS, Nonterminal, was not found in name map.) (Residue 477: GLU, Nonterminal, was not found in name map.) (Residue 478: THR, Nonterminal, was not found in name map.) (Residue 479: VAL, Nonterminal, was not found in name map.) (Residue 480: ASN, Nonterminal, was not found in name map.) (Residue 481: HIS, Nonterminal, was not found in name map.) (Residue 482: VAL, Nonterminal, was not found in name map.) (Residue 483: ALA, Nonterminal, was not found in name map.) (Residue 484: ASP, Nonterminal, was not found in name map.) (Residue 485: LEU, Nonterminal, was not found in name map.) (Residue 486: PHE, Nonterminal, was not found in name map.) (Residue 487: ALA, Nonterminal, was not found in name map.) (Residue 488: GLU, Nonterminal, was not found in name map.) (Residue 489: HIS, Nonterminal, was not found in name map.) (Residue 490: GLY, Nonterminal, was not found in name map.) (Residue 491: SER, Nonterminal, was not found in name map.) (Residue 492: ASN, Nonterminal, was not found in name map.) (Residue 493: ILE, Nonterminal, was not found in name map.) (Residue 494: TRP, Nonterminal, was not found in name map.) (Residue 495: PHE, Nonterminal, was not found in name map.) (Residue 496: GLU, Nonterminal, was not found in name map.) (Residue 497: ARG, Nonterminal, was not found in name map.) (Residue 498: GLU, Nonterminal, was not found in name map.) (Residue 499: ALA, Nonterminal, was not found in name map.) (Residue 500: LYS, Nonterminal, was not found in name map.) (Residue 501: ASP, Nonterminal, was not found in name map.) (Residue 502: LEU, Nonterminal, was not found in name map.) (Residue 503: LEU, Nonterminal, was not found in name map.) (Residue 504: PRO, Nonterminal, was not found in name map.) (Residue 505: GLU, Nonterminal, was not found in name map.) (Residue 506: GLY, Nonterminal, was not found in name map.) (Residue 507: PHE, Nonterminal, was not found in name map.) (Residue 508: THR, Nonterminal, was not found in name map.) (Residue 509: HIS, Nonterminal, was not found in name map.) (Residue 510: PRO, Nonterminal, was not found in name map.) (Residue 511: GLY, Nonterminal, was not found in name map.) (Residue 512: SER, Nonterminal, was not found in name map.) (Residue 513: PRO, Nonterminal, was not found in name map.) (Residue 514: ASN, Nonterminal, was not found in name map.) (Residue 515: GLY, Nonterminal, was not found in name map.) (Residue 516: THR, Nonterminal, was not found in name map.) (Residue 517: PHE, Nonterminal, was not found in name map.) (Residue 518: THR, Nonterminal, was not found in name map.) (Residue 519: LYS, Nonterminal, was not found in name map.) (Residue 520: GLU, Nonterminal, was not found in name map.) (Residue 521: THR, Nonterminal, was not found in name map.) (Residue 522: ASP, Nonterminal, was not found in name map.) (Residue 523: ILE, Nonterminal, was not found in name map.) (Residue 524: MET, Nonterminal, was not found in name map.) (Residue 525: ASP, Nonterminal, was not found in name map.) (Residue 526: VAL, Nonterminal, was not found in name map.) (Residue 527: TRP, Nonterminal, was not found in name map.) (Residue 528: PHE, Nonterminal, was not found in name map.) (Residue 529: ASP, Nonterminal, was not found in name map.) (Residue 530: SER, Nonterminal, was not found in name map.) (Residue 531: GLY, Nonterminal, was not found in name map.) (Residue 532: SER, Nonterminal, was not found in name map.) (Residue 533: SER, Nonterminal, was not found in name map.) (Residue 534: HIS, Nonterminal, was not found in name map.) (Residue 535: ARG, Nonterminal, was not found in name map.) (Residue 536: GLY, Nonterminal, was not found in name map.) (Residue 537: VAL, Nonterminal, was not found in name map.) (Residue 538: LEU, Nonterminal, was not found in name map.) (Residue 539: GLU, Nonterminal, was not found in name map.) (Residue 540: THR, Nonterminal, was not found in name map.) (Residue 541: ARG, Nonterminal, was not found in name map.) (Residue 542: PRO, Nonterminal, was not found in name map.) (Residue 543: GLU, Nonterminal, was not found in name map.) (Residue 544: LEU, Nonterminal, was not found in name map.) (Residue 545: SER, Nonterminal, was not found in name map.) (Residue 546: PHE, Nonterminal, was not found in name map.) (Residue 547: PRO, Nonterminal, was not found in name map.) (Residue 548: ALA, Nonterminal, was not found in name map.) (Residue 549: ASP, Nonterminal, was not found in name map.) (Residue 550: MET, Nonterminal, was not found in name map.) (Residue 551: TYR, Nonterminal, was not found in name map.) (Residue 552: LEU, Nonterminal, was not found in name map.) (Residue 553: GLU, Nonterminal, was not found in name map.) (Residue 554: GLY, Nonterminal, was not found in name map.) (Residue 555: SER, Nonterminal, was not found in name map.) (Residue 556: ASP, Nonterminal, was not found in name map.) (Residue 557: GLN, Nonterminal, was not found in name map.) (Residue 558: TYR, Nonterminal, was not found in name map.) (Residue 559: ARG, Nonterminal, was not found in name map.) (Residue 560: GLY, Nonterminal, was not found in name map.) (Residue 561: TRP, Nonterminal, was not found in name map.) (Residue 562: PHE, Nonterminal, was not found in name map.) (Residue 563: ASN, Nonterminal, was not found in name map.) (Residue 564: SER, Nonterminal, was not found in name map.) (Residue 565: SER, Nonterminal, was not found in name map.) (Residue 566: ILE, Nonterminal, was not found in name map.) (Residue 567: THR, Nonterminal, was not found in name map.) (Residue 568: THR, Nonterminal, was not found in name map.) (Residue 569: SER, Nonterminal, was not found in name map.) (Residue 570: VAL, Nonterminal, was not found in name map.) (Residue 571: ALA, Nonterminal, was not found in name map.) (Residue 572: THR, Nonterminal, was not found in name map.) (Residue 573: ARG, Nonterminal, was not found in name map.) (Residue 574: GLY, Nonterminal, was not found in name map.) (Residue 575: VAL, Nonterminal, was not found in name map.) (Residue 576: SER, Nonterminal, was not found in name map.) (Residue 577: PRO, Nonterminal, was not found in name map.) (Residue 578: TYR, Nonterminal, was not found in name map.) (Residue 579: LYS, Nonterminal, was not found in name map.) (Residue 580: PHE, Nonterminal, was not found in name map.) (Residue 581: LEU, Nonterminal, was not found in name map.) (Residue 582: LEU, Nonterminal, was not found in name map.) (Residue 583: SER, Nonterminal, was not found in name map.) (Residue 584: HIS, Nonterminal, was not found in name map.) (Residue 585: GLY, Nonterminal, was not found in name map.) (Residue 586: PHE, Nonterminal, was not found in name map.) (Residue 587: VAL, Nonterminal, was not found in name map.) (Residue 588: MET, Nonterminal, was not found in name map.) (Residue 589: ASP, Nonterminal, was not found in name map.) (Residue 590: GLY, Nonterminal, was not found in name map.) (Residue 591: GLU, Nonterminal, was not found in name map.) (Residue 592: GLY, Nonterminal, was not found in name map.) (Residue 593: LYS, Nonterminal, was not found in name map.) (Residue 594: LYS, Nonterminal, was not found in name map.) (Residue 595: MET, Nonterminal, was not found in name map.) (Residue 596: SER, Nonterminal, was not found in name map.) (Residue 597: LYS, Nonterminal, was not found in name map.) (Residue 598: SER, Nonterminal, was not found in name map.) (Residue 599: LEU, Nonterminal, was not found in name map.) (Residue 600: GLY, Nonterminal, was not found in name map.) (Residue 601: ASN, Nonterminal, was not found in name map.) (Residue 602: VAL, Nonterminal, was not found in name map.) (Residue 603: ILE, Nonterminal, was not found in name map.) (Residue 604: VAL, Nonterminal, was not found in name map.) (Residue 605: PRO, Nonterminal, was not found in name map.) (Residue 606: ASP, Nonterminal, was not found in name map.) (Residue 607: GLN, Nonterminal, was not found in name map.) (Residue 608: VAL, Nonterminal, was not found in name map.) (Residue 609: VAL, Nonterminal, was not found in name map.) (Residue 610: LYS, Nonterminal, was not found in name map.) (Residue 611: GLN, Nonterminal, was not found in name map.) (Residue 612: LYS, Nonterminal, was not found in name map.) (Residue 613: GLY, Nonterminal, was not found in name map.) (Residue 614: ALA, Nonterminal, was not found in name map.) (Residue 615: ASP, Nonterminal, was not found in name map.) (Residue 616: ILE, Nonterminal, was not found in name map.) (Residue 617: ALA, Nonterminal, was not found in name map.) (Residue 618: ARG, Nonterminal, was not found in name map.) (Residue 619: LEU, Nonterminal, was not found in name map.) (Residue 620: TRP, Nonterminal, was not found in name map.) (Residue 621: VAL, Nonterminal, was not found in name map.) (Residue 622: SER, Nonterminal, was not found in name map.) (Residue 623: SER, Nonterminal, was not found in name map.) (Residue 624: THR, Nonterminal, was not found in name map.) (Residue 625: ASP, Nonterminal, was not found in name map.) (Residue 626: TYR, Nonterminal, was not found in name map.) (Residue 627: LEU, Nonterminal, was not found in name map.) (Residue 628: ALA, Nonterminal, was not found in name map.) (Residue 629: ASP, Nonterminal, was not found in name map.) (Residue 630: VAL, Nonterminal, was not found in name map.) (Residue 631: ARG, Nonterminal, was not found in name map.) (Residue 632: ILE, Nonterminal, was not found in name map.) (Residue 633: SER, Nonterminal, was not found in name map.) (Residue 634: ASP, Nonterminal, was not found in name map.) (Residue 635: GLU, Nonterminal, was not found in name map.) (Residue 636: ILE, Nonterminal, was not found in name map.) (Residue 637: LEU, 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: THR, Nonterminal, was not found in name map.) (Residue 641: SER, Nonterminal, was not found in name map.) (Residue 642: ASP, Nonterminal, was not found in name map.) (Residue 643: ASP, Nonterminal, was not found in name map.) (Residue 644: TYR, Nonterminal, was not found in name map.) (Residue 645: ARG, Nonterminal, was not found in name map.) (Residue 646: LYS, Nonterminal, was not found in name map.) (Residue 647: ILE, Nonterminal, was not found in name map.) (Residue 648: ARG, Nonterminal, was not found in name map.) (Residue 649: ASN, Nonterminal, was not found in name map.) (Residue 650: THR, Nonterminal, was not found in name map.) (Residue 651: LEU, Nonterminal, was not found in name map.) (Residue 652: ARG, Nonterminal, was not found in name map.) (Residue 653: PHE, Nonterminal, was not found in name map.) (Residue 654: MET, Nonterminal, was not found in name map.) (Residue 655: LEU, Nonterminal, was not found in name map.) (Residue 656: GLY, Nonterminal, was not found in name map.) (Residue 657: ASN, Nonterminal, was not found in name map.) (Residue 658: ILE, Nonterminal, was not found in name map.) (Residue 659: ASN, Nonterminal, was not found in name map.) (Residue 660: ASP, Nonterminal, was not found in name map.) (Residue 661: PHE, Nonterminal, was not found in name map.) (Residue 662: ASN, Nonterminal, was not found in name map.) (Residue 663: PRO, Nonterminal, was not found in name map.) (Residue 664: ASP, Nonterminal, was not found in name map.) (Residue 665: THR, Nonterminal, was not found in name map.) (Residue 666: ASP, Nonterminal, was not found in name map.) (Residue 667: SER, Nonterminal, was not found in name map.) (Residue 668: ILE, Nonterminal, was not found in name map.) (Residue 669: PRO, Nonterminal, was not found in name map.) (Residue 670: GLU, Nonterminal, was not found in name map.) (Residue 671: SER, Nonterminal, was not found in name map.) (Residue 672: GLU, Nonterminal, was not found in name map.) (Residue 673: LEU, Nonterminal, was not found in name map.) (Residue 674: LEU, Nonterminal, was not found in name map.) (Residue 675: GLU, Nonterminal, was not found in name map.) (Residue 676: VAL, Nonterminal, was not found in name map.) (Residue 677: ASP, Nonterminal, was not found in name map.) (Residue 678: ARG, Nonterminal, was not found in name map.) (Residue 679: TYR, Nonterminal, was not found in name map.) (Residue 680: LEU, Nonterminal, was not found in name map.) (Residue 681: LEU, Nonterminal, was not found in name map.) (Residue 682: ASN, Nonterminal, was not found in name map.) (Residue 683: ARG, Nonterminal, was not found in name map.) (Residue 684: LEU, Nonterminal, was not found in name map.) (Residue 685: ARG, Nonterminal, was not found in name map.) (Residue 686: GLU, Nonterminal, was not found in name map.) (Residue 687: PHE, Nonterminal, was not found in name map.) (Residue 688: THR, Nonterminal, was not found in name map.) (Residue 689: ALA, Nonterminal, was not found in name map.) (Residue 690: SER, Nonterminal, was not found in name map.) (Residue 691: THR, Nonterminal, was not found in name map.) (Residue 692: ILE, Nonterminal, was not found in name map.) (Residue 693: ASN, Nonterminal, was not found in name map.) (Residue 694: ASN, Nonterminal, was not found in name map.) (Residue 695: TYR, Nonterminal, was not found in name map.) (Residue 696: GLU, Nonterminal, was not found in name map.) (Residue 697: ASN, Nonterminal, was not found in name map.) (Residue 698: PHE, Nonterminal, was not found in name map.) (Residue 699: ASP, Nonterminal, was not found in name map.) (Residue 700: TYR, Nonterminal, was not found in name map.) (Residue 701: LEU, Nonterminal, was not found in name map.) (Residue 702: ASN, Nonterminal, was not found in name map.) (Residue 703: ILE, Nonterminal, was not found in name map.) (Residue 704: TYR, Nonterminal, was not found in name map.) (Residue 705: GLN, Nonterminal, was not found in name map.) (Residue 706: GLU, Nonterminal, was not found in name map.) (Residue 707: VAL, Nonterminal, was not found in name map.) (Residue 708: GLN, Nonterminal, was not found in name map.) (Residue 709: ASN, Nonterminal, was not found in name map.) (Residue 710: PHE, Nonterminal, was not found in name map.) (Residue 711: ILE, Nonterminal, was not found in name map.) (Residue 712: ASN, Nonterminal, was not found in name map.) (Residue 713: VAL, Nonterminal, was not found in name map.) (Residue 714: GLU, Nonterminal, was not found in name map.) (Residue 715: LEU, Nonterminal, was not found in name map.) (Residue 716: SER, Nonterminal, was not found in name map.) (Residue 717: ASN, Nonterminal, was not found in name map.) (Residue 718: PHE, Nonterminal, was not found in name map.) (Residue 719: TYR, Nonterminal, was not found in name map.) (Residue 720: LEU, Nonterminal, was not found in name map.) (Residue 721: ASP, Nonterminal, was not found in name map.) (Residue 722: TYR, Nonterminal, was not found in name map.) (Residue 723: GLY, Nonterminal, was not found in name map.) (Residue 724: LYS, Nonterminal, was not found in name map.) (Residue 725: ASP, Nonterminal, was not found in name map.) (Residue 726: ILE, Nonterminal, was not found in name map.) (Residue 727: LEU, Nonterminal, was not found in name map.) (Residue 728: TYR, Nonterminal, was not found in name map.) (Residue 729: ILE, Nonterminal, was not found in name map.) (Residue 730: GLU, Nonterminal, was not found in name map.) (Residue 731: GLN, Nonterminal, was not found in name map.) (Residue 732: ARG, Nonterminal, was not found in name map.) (Residue 733: ASP, Nonterminal, was not found in name map.) (Residue 734: SER, Nonterminal, was not found in name map.) (Residue 735: HIS, Nonterminal, was not found in name map.) (Residue 736: ILE, Nonterminal, was not found in name map.) (Residue 737: ARG, Nonterminal, was not found in name map.) (Residue 738: ARG, Nonterminal, was not found in name map.) (Residue 739: SER, Nonterminal, was not found in name map.) (Residue 740: MET, Nonterminal, was not found in name map.) (Residue 741: GLN, Nonterminal, was not found in name map.) (Residue 742: THR, Nonterminal, was not found in name map.) (Residue 743: VAL, Nonterminal, was not found in name map.) (Residue 744: LEU, Nonterminal, was not found in name map.) (Residue 745: TYR, Nonterminal, was not found in name map.) (Residue 746: GLN, Nonterminal, was not found in name map.) (Residue 747: ILE, Nonterminal, was not found in name map.) (Residue 748: LEU, Nonterminal, was not found in name map.) (Residue 749: VAL, Nonterminal, was not found in name map.) (Residue 750: ASP, Nonterminal, was not found in name map.) (Residue 751: MET, Nonterminal, was not found in name map.) (Residue 752: THR, Nonterminal, was not found in name map.) (Residue 753: LYS, Nonterminal, was not found in name map.) (Residue 754: LEU, Nonterminal, was not found in name map.) (Residue 755: LEU, Nonterminal, was not found in name map.) (Residue 756: ALA, Nonterminal, was not found in name map.) (Residue 757: PRO, Nonterminal, was not found in name map.) (Residue 758: ILE, Nonterminal, was not found in name map.) (Residue 759: LEU, Nonterminal, was not found in name map.) (Residue 760: VAL, Nonterminal, was not found in name map.) (Residue 761: HIS, Nonterminal, was not found in name map.) (Residue 762: THR, Nonterminal, was not found in name map.) (Residue 763: ALA, Nonterminal, was not found in name map.) (Residue 764: GLU, Nonterminal, was not found in name map.) (Residue 765: GLU, Nonterminal, was not found in name map.) (Residue 766: VAL, Nonterminal, was not found in name map.) (Residue 767: TRP, Nonterminal, was not found in name map.) (Residue 768: SER, Nonterminal, was not found in name map.) (Residue 769: HIS, Nonterminal, was not found in name map.) (Residue 770: THR, Nonterminal, was not found in name map.) (Residue 771: PRO, Nonterminal, was not found in name map.) (Residue 772: HIS, Nonterminal, was not found in name map.) (Residue 773: VAL, Nonterminal, was not found in name map.) (Residue 774: LYS, Nonterminal, was not found in name map.) (Residue 775: GLU, Nonterminal, was not found in name map.) (Residue 776: GLU, Nonterminal, was not found in name map.) (Residue 777: SER, Nonterminal, was not found in name map.) (Residue 778: VAL, Nonterminal, was not found in name map.) (Residue 779: HIS, Nonterminal, was not found in name map.) (Residue 780: LEU, Nonterminal, was not found in name map.) (Residue 781: ALA, Nonterminal, was not found in name map.) (Residue 782: ASP, Nonterminal, was not found in name map.) (Residue 783: MET, Nonterminal, was not found in name map.) (Residue 784: PRO, Nonterminal, was not found in name map.) (Residue 785: LYS, Nonterminal, was not found in name map.) (Residue 786: VAL, Nonterminal, was not found in name map.) (Residue 787: VAL, Nonterminal, was not found in name map.) (Residue 788: GLU, Nonterminal, was not found in name map.) (Residue 789: VAL, Nonterminal, was not found in name map.) (Residue 790: ASP, Nonterminal, was not found in name map.) (Residue 791: GLN, Nonterminal, was not found in name map.) (Residue 792: ALA, Nonterminal, was not found in name map.) (Residue 793: LEU, Nonterminal, was not found in name map.) (Residue 794: LEU, Nonterminal, was not found in name map.) (Residue 795: ASP, Nonterminal, was not found in name map.) (Residue 796: LYS, Nonterminal, was not found in name map.) (Residue 797: TRP, Nonterminal, was not found in name map.) (Residue 798: ARG, Nonterminal, was not found in name map.) (Residue 799: THR, Nonterminal, was not found in name map.) (Residue 800: PHE, Nonterminal, was not found in name map.) (Residue 801: MET, Nonterminal, was not found in name map.) (Residue 802: ASN, Nonterminal, was not found in name map.) (Residue 803: LEU, Nonterminal, was not found in name map.) (Residue 804: ARG, Nonterminal, was not found in name map.) (Residue 805: ASP, Nonterminal, was not found in name map.) (Residue 806: ASP, Nonterminal, was not found in name map.) (Residue 807: VAL, Nonterminal, was not found in name map.) (Residue 808: ASN, Nonterminal, was not found in name map.) (Residue 809: ARG, Nonterminal, was not found in name map.) (Residue 810: ALA, Nonterminal, was not found in name map.) (Residue 811: LEU, Nonterminal, was not found in name map.) (Residue 812: GLU, Nonterminal, was not found in name map.) (Residue 813: THR, Nonterminal, was not found in name map.) (Residue 814: ALA, Nonterminal, was not found in name map.) (Residue 815: ARG, Nonterminal, was not found in name map.) (Residue 816: ASN, Nonterminal, was not found in name map.) (Residue 817: GLU, Nonterminal, was not found in name map.) (Residue 818: LYS, Nonterminal, was not found in name map.) (Residue 819: VAL, Nonterminal, was not found in name map.) (Residue 820: ILE, Nonterminal, was not found in name map.) (Residue 821: GLY, Nonterminal, was not found in name map.) (Residue 822: LYS, Nonterminal, was not found in name map.) (Residue 823: SER, Nonterminal, was not found in name map.) (Residue 824: LEU, Nonterminal, was not found in name map.) (Residue 825: GLU, Nonterminal, was not found in name map.) (Residue 826: ALA, Nonterminal, was not found in name map.) (Residue 827: LYS, Nonterminal, was not found in name map.) (Residue 828: VAL, Nonterminal, was not found in name map.) (Residue 829: THR, Nonterminal, was not found in name map.) (Residue 830: ILE, Nonterminal, was not found in name map.) (Residue 831: ALA, Nonterminal, was not found in name map.) (Residue 832: SER, Nonterminal, was not found in name map.) (Residue 833: ASN, Nonterminal, was not found in name map.) (Residue 834: ASP, Nonterminal, was not found in name map.) (Residue 835: LYS, Nonterminal, was not found in name map.) (Residue 836: PHE, Nonterminal, was not found in name map.) (Residue 837: ASN, Nonterminal, was not found in name map.) (Residue 838: ALA, Nonterminal, was not found in name map.) (Residue 839: SER, Nonterminal, was not found in name map.) (Residue 840: GLU, Nonterminal, was not found in name map.) (Residue 841: PHE, Nonterminal, was not found in name map.) (Residue 842: LEU, Nonterminal, was not found in name map.) (Residue 843: THR, Nonterminal, was not found in name map.) (Residue 844: SER, Nonterminal, was not found in name map.) (Residue 845: PHE, Nonterminal, was not found in name map.) (Residue 846: ASP, Nonterminal, was not found in name map.) (Residue 847: ALA, Nonterminal, was not found in name map.) (Residue 848: LEU, Nonterminal, was not found in name map.) (Residue 849: HIS, Nonterminal, was not found in name map.) (Residue 850: GLN, Nonterminal, was not found in name map.) (Residue 851: LEU, Nonterminal, was not found in name map.) (Residue 852: PHE, Nonterminal, was not found in name map.) (Residue 853: ILE, Nonterminal, was not found in name map.) (Residue 854: VAL, Nonterminal, was not found in name map.) (Residue 855: SER, Nonterminal, was not found in name map.) (Residue 856: GLN, Nonterminal, was not found in name map.) (Residue 857: VAL, Nonterminal, was not found in name map.) (Residue 858: LYS, Nonterminal, was not found in name map.) (Residue 859: VAL, Nonterminal, was not found in name map.) (Residue 860: VAL, Nonterminal, was not found in name map.) (Residue 861: ASP, Nonterminal, was not found in name map.) (Residue 862: LYS, Nonterminal, was not found in name map.) (Residue 863: LEU, Nonterminal, was not found in name map.) (Residue 864: ASP, Nonterminal, was not found in name map.) (Residue 865: ASP, Nonterminal, was not found in name map.) (Residue 866: GLN, Nonterminal, was not found in name map.) (Residue 867: ALA, Nonterminal, was not found in name map.) (Residue 868: THR, Nonterminal, was not found in name map.) (Residue 869: ALA, Nonterminal, was not found in name map.) (Residue 870: TYR, Nonterminal, was not found in name map.) (Residue 871: GLU, Nonterminal, was not found in name map.) (Residue 872: HIS, Nonterminal, was not found in name map.) (Residue 873: GLY, Nonterminal, was not found in name map.) (Residue 874: ASP, Nonterminal, was not found in name map.) (Residue 875: ILE, Nonterminal, was not found in name map.) (Residue 876: VAL, Nonterminal, was not found in name map.) (Residue 877: ILE, Nonterminal, was not found in name map.) (Residue 878: GLU, Nonterminal, was not found in name map.) (Residue 879: HIS, Nonterminal, was not found in name map.) (Residue 880: ALA, Nonterminal, was not found in name map.) (Residue 881: ASP, Nonterminal, was not found in name map.) (Residue 882: GLY, Nonterminal, was not found in name map.) (Residue 883: GLU, Nonterminal, was not found in name map.) (Residue 884: LYS, Nonterminal, was not found in name map.) (Residue 885: CYS, Nonterminal, was not found in name map.) (Residue 886: GLU, Nonterminal, was not found in name map.) (Residue 887: ARG, Nonterminal, was not found in name map.) (Residue 888: CYS, Nonterminal, was not found in name map.) (Residue 889: TRP, Nonterminal, was not found in name map.) (Residue 890: ASN, Nonterminal, was not found in name map.) (Residue 891: TYR, Nonterminal, was not found in name map.) (Residue 892: SER, Nonterminal, was not found in name map.) (Residue 893: GLU, Nonterminal, was not found in name map.) (Residue 894: ASP, Nonterminal, was not found in name map.) (Residue 895: LEU, Nonterminal, was not found in name map.) (Residue 896: GLY, Nonterminal, was not found in name map.) (Residue 897: ALA, Nonterminal, was not found in name map.) (Residue 898: VAL, Nonterminal, was not found in name map.) (Residue 899: ASP, Nonterminal, was not found in name map.) (Residue 900: GLU, Nonterminal, was not found in name map.) (Residue 901: LEU, Nonterminal, was not found in name map.) (Residue 902: THR, Nonterminal, was not found in name map.) (Residue 903: HIS, Nonterminal, was not found in name map.) (Residue 904: LEU, Nonterminal, was not found in name map.) (Residue 905: CYS, Nonterminal, was not found in name map.) (Residue 906: PRO, Nonterminal, was not found in name map.) (Residue 907: ARG, Nonterminal, was not found in name map.) (Residue 908: CYS, Nonterminal, was not found in name map.) (Residue 909: GLN, Nonterminal, was not found in name map.) (Residue 910: GLN, Nonterminal, was not found in name map.) (Residue 911: VAL, Nonterminal, was not found in name map.) (Residue 912: VAL, Nonterminal, was not found in name map.) (Residue 913: LYS, Nonterminal, was not found in name map.) (Residue 914: SER, Nonterminal, was not found in name map.) (Residue 915: LEU, Nonterminal, was not found in name map.) Mapped residue VAL, term: Terminal/last, seq. number: 916 to: CVAL. Mapped residue G, term: Terminal/beginning, seq. number: 917 to: DG5. Mapped residue G, term: Nonterminal, seq. number: 918 to: DG. Mapped residue G, term: Nonterminal, seq. number: 919 to: DG. Mapped residue C, term: Nonterminal, seq. number: 920 to: DC. (Residue 921: U, Nonterminal, was not found in name map.) Unknown residue: U number: 921 type: Nonterminal (Residue 922: U, Nonterminal, was not found in name map.) Unknown residue: U number: 922 type: Nonterminal Mapped residue G, term: Nonterminal, seq. number: 923 to: DG. (Residue 924: U, Nonterminal, was not found in name map.) Unknown residue: U number: 924 type: Nonterminal Mapped residue A, term: Nonterminal, seq. number: 925 to: DA. Mapped residue G, term: Nonterminal, seq. number: 926 to: DG. Mapped residue C, term: Nonterminal, seq. number: 927 to: DC. (Residue 928: U, Nonterminal, was not found in name map.) Unknown residue: U number: 928 type: Nonterminal Mapped residue C, term: Nonterminal, seq. number: 929 to: DC. Mapped residue A, term: Nonterminal, seq. number: 930 to: DA. Mapped residue G, term: Nonterminal, seq. number: 931 to: DG. Mapped residue G, term: Nonterminal, seq. number: 932 to: DG. (Residue 933: U, Nonterminal, was not found in name map.) Unknown residue: U number: 933 type: Nonterminal Mapped residue G, term: Nonterminal, seq. number: 934 to: DG. Mapped residue G, term: Nonterminal, seq. number: 935 to: DG. (Residue 936: U, Nonterminal, was not found in name map.) Unknown residue: U number: 936 type: Nonterminal (Residue 937: U, Nonterminal, was not found in name map.) Unknown residue: U number: 937 type: Nonterminal Mapped residue A, term: Nonterminal, seq. number: 938 to: DA. Mapped residue G, term: Nonterminal, seq. number: 939 to: DG. Mapped residue A, term: Nonterminal, seq. number: 940 to: DA. Mapped residue G, term: Nonterminal, seq. number: 941 to: DG. Mapped residue C, term: Nonterminal, seq. number: 942 to: DC. Mapped residue G, term: Nonterminal, seq. number: 943 to: DG. Mapped residue C, term: Nonterminal, seq. number: 944 to: DC. Mapped residue A, term: Nonterminal, seq. number: 945 to: DA. Mapped residue C, term: Nonterminal, seq. number: 946 to: DC. Mapped residue C, term: Nonterminal, seq. number: 947 to: DC. Mapped residue C, term: Nonterminal, seq. number: 948 to: DC. Mapped residue C, term: Nonterminal, seq. number: 949 to: DC. (Residue 950: U, Nonterminal, was not found in name map.) Unknown residue: U number: 950 type: Nonterminal Mapped residue G, term: Nonterminal, seq. number: 951 to: DG. Mapped residue A, term: Nonterminal, seq. number: 952 to: DA. (Residue 953: U, Nonterminal, was not found in name map.) Unknown residue: U number: 953 type: Nonterminal Mapped residue A, term: Nonterminal, seq. number: 954 to: DA. Mapped residue A, term: Nonterminal, seq. number: 955 to: DA. Mapped residue G, term: Nonterminal, seq. number: 956 to: DG. Mapped residue G, term: Nonterminal, seq. number: 957 to: DG. Mapped residue G, term: Nonterminal, seq. number: 958 to: DG. (Residue 959: U, Nonterminal, was not found in name map.) Unknown residue: U number: 959 type: Nonterminal Mapped residue G, term: Nonterminal, seq. number: 960 to: DG. Mapped residue A, term: Nonterminal, seq. number: 961 to: DA. Mapped residue G, term: Nonterminal, seq. number: 962 to: DG. Mapped residue G, term: Nonterminal, seq. number: 963 to: DG. (Residue 964: U, Nonterminal, was not found in name map.) Unknown residue: U number: 964 type: Nonterminal Mapped residue C, term: Nonterminal, seq. number: 965 to: DC. Mapped residue G, term: Nonterminal, seq. number: 966 to: DG. Mapped residue G, term: Nonterminal, seq. number: 967 to: DG. (Residue 968: U, Nonterminal, was not found in name map.) Unknown residue: U number: 968 type: Nonterminal Mapped residue G, term: Nonterminal, seq. number: 969 to: DG. Mapped residue G, term: Nonterminal, seq. number: 970 to: DG. (Residue 971: U, Nonterminal, was not found in name map.) Unknown residue: U number: 971 type: Nonterminal (Residue 972: U, Nonterminal, was not found in name map.) Unknown residue: U number: 972 type: Nonterminal Mapped residue C, term: Nonterminal, seq. number: 973 to: DC. Mapped residue A, term: Nonterminal, seq. number: 974 to: DA. Mapped residue A, term: Nonterminal, seq. number: 975 to: DA. Mapped residue G, term: Nonterminal, seq. number: 976 to: DG. (Residue 977: U, Nonterminal, was not found in name map.) Unknown residue: U number: 977 type: Nonterminal Mapped residue C, term: Nonterminal, seq. number: 978 to: DC. Mapped residue C, term: Nonterminal, seq. number: 979 to: DC. Mapped residue A, term: Nonterminal, seq. number: 980 to: DA. Mapped residue C, term: Nonterminal, seq. number: 981 to: DC. (Residue 982: U, Nonterminal, was not found in name map.) Unknown residue: U number: 982 type: Nonterminal Mapped residue C, term: Nonterminal, seq. number: 983 to: DC. Mapped residue A, term: Nonterminal, seq. number: 984 to: DA. Mapped residue G, term: Nonterminal, seq. number: 985 to: DG. Mapped residue G, term: Nonterminal, seq. number: 986 to: DG. Mapped residue C, term: Nonterminal, seq. number: 987 to: DC. Mapped residue C, term: Nonterminal, seq. number: 988 to: DC. Mapped residue C, term: Nonterminal, seq. number: 989 to: DC. Mapped residue A, term: Nonterminal, seq. number: 990 to: DA. Mapped residue C, term: Terminal/last, seq. number: 991 to: DC3. Joining NMET - ASP Joining ASP - TYR Joining TYR - GLU Joining GLU - LYS Joining LYS - THR Joining THR - LEU Joining LEU - LEU Joining LEU - MET Joining MET - PRO Joining PRO - LYS Joining LYS - THR Joining THR - ASP Joining ASP - PHE Joining PHE - PRO Joining PRO - MET Joining MET - ARG Joining ARG - GLY Joining GLY - GLY Joining GLY - LEU Joining LEU - PRO Joining PRO - ASN Joining ASN - LYS Joining LYS - GLU Joining GLU - PRO Joining PRO - GLN Joining GLN - ILE Joining ILE - GLN Joining GLN - GLU Joining GLU - LYS Joining LYS - TRP Joining TRP - ASP Joining ASP - ALA Joining ALA - GLU Joining GLU - ASP Joining ASP - GLN Joining GLN - TYR Joining TYR - HIE Joining HIE - LYS Joining LYS - ALA Joining ALA - LEU Joining LEU - GLU Joining GLU - LYS Joining LYS - ASN Joining ASN - LYS Joining LYS - GLY Joining GLY - ASN Joining ASN - GLU Joining GLU - THR Joining THR - PHE Joining PHE - ILE Joining ILE - LEU Joining LEU - HIE Joining HIE - ASP Joining ASP - GLY Joining GLY - PRO Joining PRO - PRO Joining PRO - TYR Joining TYR - ALA Joining ALA - ASN Joining ASN - GLY Joining GLY - ASN Joining ASN - LEU Joining LEU - HIE Joining HIE - MET Joining MET - GLY Joining GLY - HIE Joining HIE - ALA Joining ALA - LEU Joining LEU - ASN Joining ASN - LYS Joining LYS - ILE Joining ILE - LEU Joining LEU - LYS Joining LYS - ASP Joining ASP - PHE Joining PHE - ILE Joining ILE - VAL Joining VAL - ARG Joining ARG - TYR Joining TYR - LYS Joining LYS - THR Joining THR - MET Joining MET - GLN Joining GLN - GLY Joining GLY - PHE Joining PHE - TYR Joining TYR - ALA Joining ALA - PRO Joining PRO - TYR Joining TYR - VAL Joining VAL - PRO Joining PRO - GLY Joining GLY - TRP Joining TRP - ASP Joining ASP - THR Joining THR - HIE Joining HIE - GLY Joining GLY - LEU Joining LEU - PRO Joining PRO - ILE Joining ILE - GLU Joining GLU - GLN Joining GLN - ALA Joining ALA - LEU Joining LEU - THR Joining THR - LYS Joining LYS - LYS Joining LYS - GLY Joining GLY - VAL Joining VAL - ASP Joining ASP - ARG Joining ARG - LYS Joining LYS - LYS Joining LYS - MET Joining MET - SER Joining SER - THR Joining THR - ALA Joining ALA - GLU Joining GLU - PHE Joining PHE - ARG Joining ARG - GLU Joining GLU - LYS Joining LYS - CYS Joining CYS - LYS Joining LYS - GLU Joining GLU - PHE Joining PHE - ALA Joining ALA - LEU Joining LEU - GLU Joining GLU - GLN Joining GLN - ILE Joining ILE - GLU Joining GLU - LEU Joining LEU - GLN Joining GLN - LYS Joining LYS - LYS Joining LYS - ASP Joining ASP - PHE Joining PHE - ARG Joining ARG - ARG Joining ARG - LEU Joining LEU - GLY Joining GLY - VAL Joining VAL - ARG Joining ARG - GLY Joining GLY - ASP Joining ASP - PHE Joining PHE - ASN Joining ASN - ASP Joining ASP - PRO Joining PRO - TYR Joining TYR - ILE Joining ILE - THR Joining THR - LEU Joining LEU - LYS Joining LYS - PRO Joining PRO - GLU Joining GLU - TYR Joining TYR - GLU Joining GLU - ALA Joining ALA - ALA Joining ALA - GLN Joining GLN - ILE Joining ILE - ARG Joining ARG - ILE Joining ILE - PHE Joining PHE - GLY Joining GLY - GLU Joining GLU - MET Joining MET - ALA Joining ALA - ASP Joining ASP - LYS Joining LYS - GLY Joining GLY - LEU Joining LEU - ILE Joining ILE - TYR Joining TYR - LYS Joining LYS - GLY Joining GLY - LYS Joining LYS - LYS Joining LYS - PRO Joining PRO - VAL Joining VAL - TYR Joining TYR - TRP Joining TRP - SER Joining SER - PRO Joining PRO - SER Joining SER - SER Joining SER - GLU Joining GLU - SER Joining SER - SER Joining SER - LEU Joining LEU - ALA Joining ALA - GLU Joining GLU - ALA Joining ALA - GLU Joining GLU - ILE Joining ILE - GLU Joining GLU - TYR Joining TYR - HIE Joining HIE - ASP Joining ASP - LYS Joining LYS - ARG Joining ARG - SER Joining SER - ALA Joining ALA - SER Joining SER - ILE Joining ILE - TYR Joining TYR - VAL Joining VAL - ALA Joining ALA - PHE Joining PHE - ASN Joining ASN - VAL Joining VAL - LYS Joining LYS - ASP Joining ASP - ASP Joining ASP - LYS Joining LYS - GLY Joining GLY - VAL Joining VAL - VAL Joining VAL - ASP Joining ASP - ALA Joining ALA - ASP Joining ASP - ALA Joining ALA - LYS Joining LYS - PHE Joining PHE - ILE Joining ILE - ILE Joining ILE - TRP Joining TRP - THR Joining THR - THR Joining THR - THR Joining THR - PRO Joining PRO - TRP Joining TRP - THR Joining THR - ILE Joining ILE - PRO Joining PRO - SER Joining SER - ASN Joining ASN - VAL Joining VAL - ALA Joining ALA - ILE Joining ILE - THR Joining THR - VAL Joining VAL - HIE Joining HIE - PRO Joining PRO - GLU Joining GLU - LEU Joining LEU - LYS Joining LYS - TYR Joining TYR - GLY Joining GLY - GLN Joining GLN - TYR Joining TYR - ASN Joining ASN - VAL Joining VAL - ASN Joining ASN - GLY Joining GLY - GLU Joining GLU - LYS Joining LYS - TYR Joining TYR - ILE Joining ILE - ILE Joining ILE - ALA Joining ALA - GLU Joining GLU - ALA Joining ALA - LEU Joining LEU - SER Joining SER - ASP Joining ASP - ALA Joining ALA - VAL Joining VAL - ALA Joining ALA - GLU Joining GLU - ALA Joining ALA - LEU Joining LEU - ASP Joining ASP - TRP Joining TRP - ASP Joining ASP - LYS Joining LYS - ALA Joining ALA - SER Joining SER - ILE Joining ILE - LYS Joining LYS - LEU Joining LEU - GLU Joining GLU - LYS Joining LYS - GLU Joining GLU - TYR Joining TYR - THR Joining THR - GLY Joining GLY - LYS Joining LYS - GLU Joining GLU - LEU Joining LEU - GLU Joining GLU - TRP Joining TRP - VAL Joining VAL - VAL Joining VAL - ALA Joining ALA - GLN Joining GLN - HIE Joining HIE - PRO Joining PRO - PHE Joining PHE - LEU Joining LEU - ASP Joining ASP - ARG Joining ARG - GLU Joining GLU - SER Joining SER - LEU Joining LEU - VAL Joining VAL - ILE Joining ILE - ASN Joining ASN - GLY Joining GLY - ASP Joining ASP - HIE Joining HIE - VAL Joining VAL - THR Joining THR - THR Joining THR - ASP Joining ASP - ALA Joining ALA - GLY Joining GLY - THR Joining THR - GLY Joining GLY - CYS Joining CYS - VAL Joining VAL - HIE Joining HIE - THR Joining THR - ALA Joining ALA - PRO Joining PRO - GLY Joining GLY - HIE Joining HIE - GLY Joining GLY - GLU Joining GLU - ASP Joining ASP - ASP Joining ASP - TYR Joining TYR - ILE Joining ILE - VAL Joining VAL - GLY Joining GLY - GLN Joining GLN - GLN Joining GLN - TYR Joining TYR - GLU Joining GLU - LEU Joining LEU - PRO Joining PRO - VAL Joining VAL - ILE Joining ILE - SER Joining SER - PRO Joining PRO - ILE Joining ILE - ASP Joining ASP - ASP Joining ASP - LYS Joining LYS - GLY Joining GLY - VAL Joining VAL - PHE Joining PHE - THR Joining THR - GLU Joining GLU - GLU Joining GLU - GLY Joining GLY - GLY Joining GLY - GLN Joining GLN - PHE Joining PHE - GLU Joining GLU - GLY Joining GLY - MET Joining MET - PHE Joining PHE - TYR Joining TYR - ASP Joining ASP - LYS Joining LYS - ALA Joining ALA - ASN Joining ASN - LYS Joining LYS - ALA Joining ALA - VAL Joining VAL - THR Joining THR - ASP Joining ASP - LEU Joining LEU - LEU Joining LEU - THR Joining THR - GLU Joining GLU - LYS Joining LYS - GLY Joining GLY - ALA Joining ALA - LEU Joining LEU - LEU Joining LEU - LYS Joining LYS - LEU Joining LEU - ASP Joining ASP - PHE Joining PHE - ILE Joining ILE - THR Joining THR - HIE Joining HIE - SER Joining SER - TYR Joining TYR - PRO Joining PRO - HIE Joining HIE - ASP Joining ASP - TRP Joining TRP - ARG Joining ARG - THR Joining THR - LYS Joining LYS - LYS Joining LYS - PRO Joining PRO - VAL Joining VAL - ILE Joining ILE - PHE Joining PHE - ARG Joining ARG - ALA Joining ALA - THR Joining THR - PRO Joining PRO - GLN Joining GLN - TRP Joining TRP - PHE Joining PHE - ALA Joining ALA - SER Joining SER - ILE Joining ILE - SER Joining SER - LYS Joining LYS - VAL Joining VAL - ARG Joining ARG - GLN Joining GLN - ASP Joining ASP - ILE Joining ILE - LEU Joining LEU - ASP Joining ASP - ALA Joining ALA - ILE Joining ILE - GLU Joining GLU - ASN Joining ASN - THR Joining THR - ASN Joining ASN - PHE Joining PHE - LYS Joining LYS - VAL Joining VAL - ASN Joining ASN - TRP Joining TRP - GLY Joining GLY - LYS Joining LYS - THR Joining THR - ARG Joining ARG - ILE Joining ILE - TYR Joining TYR - ASN Joining ASN - MET Joining MET - VAL Joining VAL - ARG Joining ARG - ASP Joining ASP - ARG Joining ARG - GLY Joining GLY - GLU Joining GLU - TRP Joining TRP - VAL Joining VAL - ILE Joining ILE - SER Joining SER - ARG Joining ARG - GLN Joining GLN - ARG Joining ARG - VAL Joining VAL - TRP Joining TRP - GLY Joining GLY - VAL Joining VAL - PRO Joining PRO - LEU Joining LEU - PRO Joining PRO - VAL Joining VAL - PHE Joining PHE - TYR Joining TYR - ALA Joining ALA - GLU Joining GLU - ASN Joining ASN - GLY Joining GLY - GLU Joining GLU - ILE Joining ILE - ILE Joining ILE - MET Joining MET - THR Joining THR - LYS Joining LYS - GLU Joining GLU - THR Joining THR - VAL Joining VAL - ASN Joining ASN - HIE Joining HIE - VAL Joining VAL - ALA Joining ALA - ASP Joining ASP - LEU Joining LEU - PHE Joining PHE - ALA Joining ALA - GLU Joining GLU - HIE Joining HIE - GLY Joining GLY - SER Joining SER - ASN Joining ASN - ILE Joining ILE - TRP Joining TRP - PHE Joining PHE - GLU Joining GLU - ARG Joining ARG - GLU Joining GLU - ALA Joining ALA - LYS Joining LYS - ASP Joining ASP - LEU Joining LEU - LEU Joining LEU - PRO Joining PRO - GLU Joining GLU - GLY Joining GLY - PHE Joining PHE - THR Joining THR - HIE Joining HIE - PRO Joining PRO - GLY Joining GLY - SER Joining SER - PRO Joining PRO - ASN Joining ASN - GLY Joining GLY - THR Joining THR - PHE Joining PHE - THR Joining THR - LYS Joining LYS - GLU Joining GLU - THR Joining THR - ASP Joining ASP - ILE Joining ILE - MET Joining MET - ASP Joining ASP - VAL Joining VAL - TRP Joining TRP - PHE Joining PHE - ASP Joining ASP - SER Joining SER - GLY Joining GLY - SER Joining SER - SER Joining SER - HIE Joining HIE - ARG Joining ARG - GLY Joining GLY - VAL Joining VAL - LEU Joining LEU - GLU Joining GLU - THR Joining THR - ARG Joining ARG - PRO Joining PRO - GLU Joining GLU - LEU Joining LEU - SER Joining SER - PHE Joining PHE - PRO Joining PRO - ALA Joining ALA - ASP Joining ASP - MET Joining MET - TYR Joining TYR - LEU Joining LEU - GLU Joining GLU - GLY Joining GLY - SER Joining SER - ASP Joining ASP - GLN Joining GLN - TYR Joining TYR - ARG Joining ARG - GLY Joining GLY - TRP Joining TRP - PHE Joining PHE - ASN Joining ASN - SER Joining SER - SER Joining SER - ILE Joining ILE - THR Joining THR - THR Joining THR - SER Joining SER - VAL Joining VAL - ALA Joining ALA - THR Joining THR - ARG Joining ARG - GLY Joining GLY - VAL Joining VAL - SER Joining SER - PRO Joining PRO - TYR Joining TYR - LYS Joining LYS - PHE Joining PHE - LEU Joining LEU - LEU Joining LEU - SER Joining SER - HIE Joining HIE - GLY Joining GLY - PHE Joining PHE - VAL Joining VAL - MET Joining MET - ASP Joining ASP - GLY Joining GLY - GLU Joining GLU - GLY Joining GLY - LYS Joining LYS - LYS Joining LYS - MET Joining MET - SER Joining SER - LYS Joining LYS - SER Joining SER - LEU Joining LEU - GLY Joining GLY - ASN Joining ASN - VAL Joining VAL - ILE Joining ILE - VAL Joining VAL - PRO Joining PRO - ASP Joining ASP - GLN Joining GLN - VAL Joining VAL - VAL Joining VAL - LYS Joining LYS - GLN Joining GLN - LYS Joining LYS - GLY Joining GLY - ALA Joining ALA - ASP Joining ASP - ILE Joining ILE - ALA Joining ALA - ARG Joining ARG - LEU Joining LEU - TRP Joining TRP - VAL Joining VAL - SER Joining SER - SER Joining SER - THR Joining THR - ASP Joining ASP - TYR Joining TYR - LEU Joining LEU - ALA Joining ALA - ASP Joining ASP - VAL Joining VAL - ARG Joining ARG - ILE Joining ILE - SER Joining SER - ASP Joining ASP - GLU Joining GLU - ILE Joining ILE - LEU Joining LEU - LYS Joining LYS - GLN Joining GLN - THR Joining THR - SER Joining SER - ASP Joining ASP - ASP Joining ASP - TYR Joining TYR - ARG Joining ARG - LYS Joining LYS - ILE Joining ILE - ARG Joining ARG - ASN Joining ASN - THR Joining THR - LEU Joining LEU - ARG Joining ARG - PHE Joining PHE - MET Joining MET - LEU Joining LEU - GLY Joining GLY - ASN Joining ASN - ILE Joining ILE - ASN Joining ASN - ASP Joining ASP - PHE Joining PHE - ASN Joining ASN - PRO Joining PRO - ASP Joining ASP - THR Joining THR - ASP Joining ASP - SER Joining SER - ILE Joining ILE - PRO Joining PRO - GLU Joining GLU - SER Joining SER - GLU Joining GLU - LEU Joining LEU - LEU Joining LEU - GLU Joining GLU - VAL Joining VAL - ASP Joining ASP - ARG Joining ARG - TYR Joining TYR - LEU Joining LEU - LEU Joining LEU - ASN Joining ASN - ARG Joining ARG - LEU Joining LEU - ARG Joining ARG - GLU Joining GLU - PHE Joining PHE - THR Joining THR - ALA Joining ALA - SER Joining SER - THR Joining THR - ILE Joining ILE - ASN Joining ASN - ASN Joining ASN - TYR Joining TYR - GLU Joining GLU - ASN Joining ASN - PHE Joining PHE - ASP Joining ASP - TYR Joining TYR - LEU Joining LEU - ASN Joining ASN - ILE Joining ILE - TYR Joining TYR - GLN Joining GLN - GLU Joining GLU - VAL Joining VAL - GLN Joining GLN - ASN Joining ASN - PHE Joining PHE - ILE Joining ILE - ASN Joining ASN - VAL Joining VAL - GLU Joining GLU - LEU Joining LEU - SER Joining SER - ASN Joining ASN - PHE Joining PHE - TYR Joining TYR - LEU Joining LEU - ASP Joining ASP - TYR Joining TYR - GLY Joining GLY - LYS Joining LYS - ASP Joining ASP - ILE Joining ILE - LEU Joining LEU - TYR Joining TYR - ILE Joining ILE - GLU Joining GLU - GLN Joining GLN - ARG Joining ARG - ASP Joining ASP - SER Joining SER - HIE Joining HIE - ILE Joining ILE - ARG Joining ARG - ARG Joining ARG - SER Joining SER - MET Joining MET - GLN Joining GLN - THR Joining THR - VAL Joining VAL - LEU Joining LEU - TYR Joining TYR - GLN Joining GLN - ILE Joining ILE - LEU Joining LEU - VAL Joining VAL - ASP Joining ASP - MET Joining MET - THR Joining THR - LYS Joining LYS - LEU Joining LEU - LEU Joining LEU - ALA Joining ALA - PRO Joining PRO - ILE Joining ILE - LEU Joining LEU - VAL Joining VAL - HIE Joining HIE - THR Joining THR - ALA Joining ALA - GLU Joining GLU - GLU Joining GLU - VAL Joining VAL - TRP Joining TRP - SER Joining SER - HIE Joining HIE - THR Joining THR - PRO Joining PRO - HIE Joining HIE - VAL Joining VAL - LYS Joining LYS - GLU Joining GLU - GLU Joining GLU - SER Joining SER - VAL Joining VAL - HIE Joining HIE - LEU Joining LEU - ALA Joining ALA - ASP Joining ASP - MET Joining MET - PRO Joining PRO - LYS Joining LYS - VAL Joining VAL - VAL Joining VAL - GLU Joining GLU - VAL Joining VAL - ASP Joining ASP - GLN Joining GLN - ALA Joining ALA - LEU Joining LEU - LEU Joining LEU - ASP Joining ASP - LYS Joining LYS - TRP Joining TRP - ARG Joining ARG - THR Joining THR - PHE Joining PHE - MET Joining MET - ASN Joining ASN - LEU Joining LEU - ARG Joining ARG - ASP Joining ASP - ASP Joining ASP - VAL Joining VAL - ASN Joining ASN - ARG Joining ARG - ALA Joining ALA - LEU Joining LEU - GLU Joining GLU - THR Joining THR - ALA Joining ALA - ARG Joining ARG - ASN Joining ASN - GLU Joining GLU - LYS Joining LYS - VAL Joining VAL - ILE Joining ILE - GLY Joining GLY - LYS Joining LYS - SER Joining SER - LEU Joining LEU - GLU Joining GLU - ALA Joining ALA - LYS Joining LYS - VAL Joining VAL - THR Joining THR - ILE Joining ILE - ALA Joining ALA - SER Joining SER - ASN Joining ASN - ASP Joining ASP - LYS Joining LYS - PHE Joining PHE - ASN Joining ASN - ALA Joining ALA - SER Joining SER - GLU Joining GLU - PHE Joining PHE - LEU Joining LEU - THR Joining THR - SER Joining SER - PHE Joining PHE - ASP Joining ASP - ALA Joining ALA - LEU Joining LEU - HIE Joining HIE - GLN Joining GLN - LEU Joining LEU - PHE Joining PHE - ILE Joining ILE - VAL Joining VAL - SER Joining SER - GLN Joining GLN - VAL Joining VAL - LYS Joining LYS - VAL Joining VAL - VAL Joining VAL - ASP Joining ASP - LYS Joining LYS - LEU Joining LEU - ASP Joining ASP - ASP Joining ASP - GLN Joining GLN - ALA Joining ALA - THR Joining THR - ALA Joining ALA - TYR Joining TYR - GLU Joining GLU - HIE Joining HIE - GLY Joining GLY - ASP Joining ASP - ILE Joining ILE - VAL Joining VAL - ILE Joining ILE - GLU Joining GLU - HIE Joining HIE - ALA Joining ALA - ASP Joining ASP - GLY Joining GLY - GLU Joining GLU - LYS Joining LYS - CYS Joining CYS - GLU Joining GLU - ARG Joining ARG - CYS Joining CYS - TRP Joining TRP - ASN Joining ASN - TYR Joining TYR - SER Joining SER - GLU Joining GLU - ASP Joining ASP - LEU Joining LEU - GLY Joining GLY - ALA Joining ALA - VAL Joining VAL - ASP Joining ASP - GLU Joining GLU - LEU Joining LEU - THR Joining THR - HIE Joining HIE - LEU Joining LEU - CYS Joining CYS - PRO Joining PRO - ARG Joining ARG - CYS Joining CYS - GLN Joining GLN - GLN Joining GLN - VAL Joining VAL - VAL Joining VAL - LYS Joining LYS - SER Joining SER - LEU Joining LEU - CVAL Created a new atom named: O2' within residue: .R Joining DG5 - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 922 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R Creating new UNIT for residue: U sequence: 923 Starting new chain with Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 925 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 929 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 934 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 937 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R Creating new UNIT for residue: U sequence: 938 Starting new chain with Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 951 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 954 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 960 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 965 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 969 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 972 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R Creating new UNIT for residue: U sequence: 973 Starting new chain with Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 978 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Creating new UNIT for residue: U sequence: 983 One sided connection. Residue: missing connect0 atom. Created a new atom named: P within residue: .R Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O5' within residue: .R Created a new atom named: C5' within residue: .R Created a new atom named: C4' within residue: .R Created a new atom named: O4' within residue: .R Created a new atom named: C3' within residue: .R Created a new atom named: O3' within residue: .R Created a new atom named: C2' within residue: .R Created a new atom named: O2' within residue: .R Created a new atom named: C1' within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: O2 within residue: .R Created a new atom named: N3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: O4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R One sided connection. Residue: missing connect1 atom. Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DG Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DG - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DC Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DC - DA Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Joining DA - DC3 Created a new atom named: OP1 within residue: .R Created a new atom named: OP2 within residue: .R Created a new atom named: O2' within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A total atoms in file: 9010 Leap added 7985 missing atoms according to residue templates: 116 Heavy 7869 H / lone pairs The file contained 495 atoms not in residue templates > > > > edit prot Unit Editor: No atoms selected Unit Editor: No atoms selected Table Editor: Check table... Table Editor: The table has 495 errors and 0 warnings. Table Editor: > Perturbed name first character must be alphabetic. log started: Tue Jan 27 14:17:02 2009 Log file: ./leap.log >> # >> # ----- leaprc for loading the ff99SB (Hornak & Simmerling) 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" } >> { "CG" "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" } >> { "EP" "" "sp3" } >> # glycam >> { "OG" "O" "sp3" } >> { "OL" "O" "sp3" } >> { "AC" "C" "sp3" } >> { "EC" "C" "sp3" } >> } >> # >> # Load the main parameter set. >> # >> parm99 = loadamberparams parm99.dat Loading parameters: /usr/local/amber9//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: IM) (UNKNOWN ATOM TYPE: Li) (UNKNOWN ATOM TYPE: IP) (UNKNOWN ATOM TYPE: K) (UNKNOWN ATOM TYPE: Rb) (UNKNOWN ATOM TYPE: Cs) (UNKNOWN ATOM TYPE: Zn) (UNKNOWN ATOM TYPE: IB) (UNKNOWN ATOM TYPE: LP) >> frcmod99SB = loadamberparams frcmod.ff99SB Loading parameters: /usr/local/amber9//dat/leap/parm/frcmod.ff99SB Reading force field modification type file (frcmod) Reading title: Modification/update of parm99.dat (Hornak & Simmerling) >> # >> # Load DNA/RNA libraries >> # >> loadOff all_nucleic94.lib Loading library: /usr/local/amber9//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 (i.e. ff94 libs) >> # >> loadOff all_amino94.lib Loading library: /usr/local/amber9//dat/leap/lib/all_amino94.lib 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: PHE Loading: PRO Loading: SER Loading: THR Loading: TRP Loading: TYR Loading: VAL >> loadOff all_aminoct94.lib Loading library: /usr/local/amber9//dat/leap/lib/all_aminoct94.lib Loading: CALA Loading: CARG Loading: CASN Loading: CASP Loading: CCYS Loading: CCYX 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_aminont94.lib Loading library: /usr/local/amber9//dat/leap/lib/all_aminont94.lib Loading: ACE Loading: NALA Loading: NARG Loading: NASN Loading: NASP Loading: NCYS Loading: NCYX 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 >> # >> # Load water and ions >> # >> loadOff ions94.lib Loading library: /usr/local/amber9//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: /usr/local/amber9//dat/leap/lib/solvents.lib Loading: CHCL3BOX Loading: DC4 Loading: MEOHBOX Loading: NMABOX Loading: PL3 Loading: POL3BOX Loading: SPC Loading: SPCBOX Loading: SPCFWBOX Loading: SPF Loading: T4E Loading: TIP3PBOX Loading: TIP4PBOX Loading: TIP4PEWBOX Loading: TP3 Loading: TP4 Loading: TP5 >> HOH = TP3 >> WAT = TP3 >> >> # >> # 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" "DG5" } { 1 "G" "DG3" } { "G" "DG" } { "GN" "DGN" } >> { 0 "A" "DA5" } { 1 "A" "DA3" } { "A" "DA" } { "AN" "DAN" } >> { 0 "C" "DC5" } { 1 "C" "DC3" } { "C" "DC" } { "CN" "DCN" } >> { 0 "T" "DT5" } { 1 "T" "DT3" } { "T" "DT" } { "TN" "DTN" } >> { 0 "C5" "DC5" } >> { 0 "G5" "DG5" } >> { 0 "A5" "DA5" } >> { 0 "T5" "DT5" } >> { 1 "C3" "DC3" } >> { 1 "G3" "DG3" } >> { 1 "A3" "DA3" } >> { 1 "T3" "DT3" } >> >> } >> >> addPdbAtomMap { >> { "O5*" "O5'" } >> { "C5*" "C5'" } >> { "C4*" "C4'" } >> { "O4*" "O4'" } >> { "C3*" "C3'" } >> { "O3*" "O3'" } >> { "C2*" "C2'" } >> { "C1*" "C1'" } >> { "C5M" "C7" } >> { "H1*" "H1'" } >> { "H2*1" "H2'1" } >> { "H2*2" "H2'2" } >> { "H3*" "H3'" } >> { "H4*" "H4'" } >> { "H5*1" "H5'1" } >> { "H5*2" "H5'2" } >> # old ff atom names -> new >> { "O1'" "O4'" } >> { "OA" "O1P" } >> { "OB" "O2P" } >> } >> >> >> # >> # assumed that most often proteins use HIE >> # >> NHIS = NHIE >> HIS = HIE >> CHIS = CHIE > > prot = loadpdb chech.pdb Could not open file chech.pdb: not found > prot = loadpdb check.pdb Loading PDB file: ./check.pdb Enter zPdbReadScan from call depth 0. Warning: name change in pdb file residue 0 ; this residue is split into RG5 and RG. Warning: name change in pdb file residue 0 ; this residue is split into RG and RC. Warning: name change in pdb file residue 0 ; this residue is split into RC and RU. Warning: name change in pdb file residue 0 ; this residue is split into RU and RG. Warning: name change in pdb file residue 0 ; this residue is split into RG and RU. Warning: name change in pdb file residue 0 ; this residue is split into RU and RA. Warning: name change in pdb file residue 0 ; this residue is split into RA and RG. Warning: name change in pdb file residue 0 ; this residue is split into RG and RC. Warning: name change in pdb file residue 0 ; this residue is split into RC and RU.