log started: Tue Aug 20 23:41:53 2019 Log file: ./leap.log >> # >> # ----- leaprc for loading the ff14SB force field >> # ----- NOTE: this is designed for PDB format 3! >> # >> # 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" } >> { "HZ" "H" "sp3" } >> { "OH" "O" "sp3" } >> { "OS" "O" "sp3" } >> { "O" "O" "sp2" } >> { "O2" "O" "sp2" } >> { "OP" "O" "sp2" } >> { "OW" "O" "sp3" } >> { "CT" "C" "sp3" } >> { "CX" "C" "sp3" } >> { "C8" "C" "sp3" } >> { "2C" "C" "sp3" } >> { "3C" "C" "sp3" } >> { "CH" "C" "sp3" } >> { "CS" "C" "sp2" } >> { "C" "C" "sp2" } >> { "CO" "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" } >> { "C5" "C" "sp2" } >> { "C4" "C" "sp2" } >> { "CP" "C" "sp2" } >> { "CI" "C" "sp3" } >> { "CJ" "C" "sp2" } >> { "CW" "C" "sp2" } >> { "CV" "C" "sp2" } >> { "CR" "C" "sp2" } >> { "CA" "C" "sp2" } >> { "CY" "C" "sp2" } >> { "C0" "Ca" "sp3" } >> { "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" } >> { "NY" "N" "sp2" } >> { "N3" "N" "sp3" } >> { "S" "S" "sp3" } >> { "SH" "S" "sp3" } >> { "P" "P" "sp3" } >> { "LP" "" "sp3" } >> { "EP" "" "sp3" } >> { "F" "F" "sp3" } >> { "Cl" "Cl" "sp3" } >> { "Br" "Br" "sp3" } >> { "I" "I" "sp3" } >> } >> # >> # Load the main parameter set. >> # >> parm10 = loadamberparams parm10.dat Loading parameters: /opt/software/amber/16/dat/leap/parm/parm10.dat Reading title: PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA (UNKNOWN ATOM TYPE: Zn) (UNKNOWN ATOM TYPE: EP) >> frcmod14SB = loadamberparams frcmod.ff14SB Loading parameters: /opt/software/amber/16/dat/leap/parm/frcmod.ff14SB Reading force field modification type file (frcmod) Reading title: ff14SB protein backbone and sidechain parameters >> # >> # Load main chain and terminating amino acid libraries >> # >> loadOff amino12.lib Loading library: /opt/software/amber/16/dat/leap/lib/amino12.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: HYP 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 aminoct12.lib Loading library: /opt/software/amber/16/dat/leap/lib/aminoct12.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: CHYP 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 aminont12.lib Loading library: /opt/software/amber/16/dat/leap/lib/aminont12.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 >> >> # >> # Define the PDB name map for the amino acids >> # >> addPdbResMap { >> { 0 "HYP" "HYP" } { 1 "HYP" "CHYP" } >> { 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" } >> } >> >> # >> # assume that most often proteins use HIE >> # >> NHIS = NHIE >> HIS = HIE >> CHIS = CHIE > > source leaprc.water.tip3p ----- Source: /opt/software/amber/16/dat/leap/cmd/leaprc.water.tip3p ----- Source of /opt/software/amber/16/dat/leap/cmd/leaprc.water.tip3p done >> # >> # Load water and ions for TIP3P + Joung-Chetham monovalent ions >> # + Li/Merz highly charged ions (+2 to +4, 12-6 normal usage set) >> # >> addAtomTypes { >> { "HW" "H" "sp3" } >> { "OW" "O" "sp3" } >> { "F-" "F" "sp3" } >> { "Cl-" "Cl" "sp3" } >> { "Br-" "Br" "sp3" } >> { "I-" "I" "sp3" } >> { "Li+" "Li" "sp3" } >> { "Na+" "Na" "sp3" } >> { "K+" "K" "sp3" } >> { "Rb+" "Rb" "sp3" } >> { "Cs+" "Cs" "sp3" } >> { "Mg+" "Mg" "sp3" } >> { "Tl+" "Tl" "sp3" } >> { "Cu+" "Cu" "sp3" } >> { "Ag+" "Ag" "sp3" } >> { "Be2+" "Be" "sp3" } >> { "Cu2+" "Cu" "sp3" } >> { "Ni2+" "Ni" "sp3" } >> { "Pt2+" "Pt" "sp3" } >> { "Zn2+" "Zn" "sp3" } >> { "Co2+" "Co" "sp3" } >> { "Pd2+" "Pd" "sp3" } >> { "Ag2+" "Ag" "sp3" } >> { "Cr2+" "Cr" "sp3" } >> { "Fe2+" "Fe" "sp3" } >> { "Mg2+" "Mg" "sp3" } >> { "V2+" "V" "sp3" } >> { "Mn2+" "Mn" "sp3" } >> { "Hg2+" "Hg" "sp3" } >> { "Cd2+" "Cd" "sp3" } >> { "Yb2+" "Yb" "sp3" } >> { "Ca2+" "Ca" "sp3" } >> { "Sn2+" "Sn" "sp3" } >> { "Pb2+" "Pb" "sp3" } >> { "Eu2+" "Eu" "sp3" } >> { "Sr2+" "Sr" "sp3" } >> { "Sm2+" "Sm" "sp3" } >> { "Ba2+" "Ba" "sp3" } >> { "Ra2+" "Ra" "sp3" } >> { "Al3+" "Al" "sp3" } >> { "Fe3+" "Fe" "sp3" } >> { "Cr3+" "Cr" "sp3" } >> { "In3+" "In" "sp3" } >> { "Tl3+" "Tl" "sp3" } >> { "Y3+" "Y" "sp3" } >> { "La3+" "La" "sp3" } >> { "Ce3+" "Ce" "sp3" } >> { "Pr3+" "Pr" "sp3" } >> { "Nd3+" "Nd" "sp3" } >> { "Sm3+" "Sm" "sp3" } >> { "Eu3+" "Eu" "sp3" } >> { "Gd3+" "Gd" "sp3" } >> { "Tb3+" "Tb" "sp3" } >> { "Dy3+" "Dy" "sp3" } >> { "Er3+" "Er" "sp3" } >> { "Tm3+" "Tm" "sp3" } >> { "Lu3+" "Lu" "sp3" } >> { "Hf4+" "Hf" "sp3" } >> { "Zr4+" "Zr" "sp3" } >> { "Ce4+" "Ce" "sp3" } >> { "U4+" "U" "sp3" } >> { "Pu4+" "Pu" "sp3" } >> { "Th4+" "Th" "sp3" } >> } >> loadOff atomic_ions.lib Loading library: /opt/software/amber/16/dat/leap/lib/atomic_ions.lib Loading: AG Loading: AL Loading: Ag Loading: BA Loading: BR Loading: Be Loading: CA Loading: CD Loading: CE Loading: CL Loading: CO Loading: CR Loading: CS Loading: CU Loading: CU1 Loading: Ce Loading: Cl- Loading: Cr Loading: Dy Loading: EU Loading: EU3 Loading: Er Loading: F Loading: FE Loading: FE2 Loading: GD3 Loading: H3O+ Loading: HE+ Loading: HG Loading: HZ+ Loading: Hf Loading: IN Loading: IOD Loading: K Loading: K+ Loading: LA Loading: LI Loading: LU Loading: MG Loading: MN Loading: NA Loading: NH4 Loading: NI Loading: Na+ Loading: Nd Loading: PB Loading: PD Loading: PR Loading: PT Loading: Pu Loading: RB Loading: Ra Loading: SM Loading: SR Loading: Sm Loading: Sn Loading: TB Loading: TL Loading: Th Loading: Tl Loading: Tm Loading: U4+ Loading: V2+ Loading: Y Loading: YB2 Loading: ZN Loading: Zr >> loadOff solvents.lib Loading library: /opt/software/amber/16/dat/leap/lib/solvents.lib Loading: CHCL3BOX Loading: DC4 Loading: FB3 Loading: FB3BOX Loading: FB4 Loading: FB4BOX Loading: MEOHBOX Loading: NMABOX Loading: OP3 Loading: OPC Loading: OPC3BOX Loading: OPCBOX Loading: PL3 Loading: POL3BOX Loading: QSPCFWBOX Loading: SPC Loading: SPCBOX Loading: SPCFWBOX Loading: SPF Loading: SPG Loading: T4E Loading: TIP3PBOX Loading: TIP3PFBOX Loading: TIP4PBOX Loading: TIP4PEWBOX Loading: TIP5PBOX Loading: TP3 Loading: TP4 Loading: TP5 Loading: TPF >> HOH = TP3 >> WAT = TP3 >> loadAmberParams frcmod.tip3p Loading parameters: /opt/software/amber/16/dat/leap/parm/frcmod.tip3p Reading force field modification type file (frcmod) Reading title: This is the additional/replacement parameter set for SPC/E water >> loadAmberParams frcmod.ionsjc_tip3p Loading parameters: /opt/software/amber/16/dat/leap/parm/frcmod.ionsjc_tip3p Reading force field modification type file (frcmod) Reading title: Monovalent ion parameters for Ewald and TIP3P water from Joung & Cheatham JPCB (2008) >> loadAmberParams frcmod.ions234lm_126_tip3p Loading parameters: /opt/software/amber/16/dat/leap/parm/frcmod.ions234lm_126_tip3p Reading force field modification type file (frcmod) Reading title: Li/Merz ion parameters of divalent to tetravalent ions for TIP3P water model (12-6 normal usage set) >> > > source leaprc.GLYCAM_06j-1 ----- Source: /opt/software/amber/16/dat/leap/cmd/leaprc.GLYCAM_06j-1 ----- Source of /opt/software/amber/16/dat/leap/cmd/leaprc.GLYCAM_06j-1 done >> # ----- leaprc for loading the Glycam_06 carbohydrate force field >> # also contains atom types for lipids >> # >> # load atom type hybridizations >> # (includes atom types relevant to lipids) >> # >> addAtomTypes { >> { "C" "C" "sp2" } >> { "Cg" "C" "sp3" } >> { "Cy" "C" "sp3" } >> { "Ck" "C" "sp2" } >> { "CT" "C" "sp3" } >> { "Cj" "C" "sp2" } >> { "Cp" "C" "sp3" } >> { "H" "H" "sp3" } >> { "H1" "H" "sp3" } >> { "H2" "H" "sp3" } >> { "Ha" "H" "sp3" } >> { "Hp" "H" "sp3" } >> { "Hc" "H" "sp3" } >> { "Ho" "H" "sp3" } >> { "HW" "H" "sp3" } >> { "Ng" "N" "sp2" } >> { "NT" "N" "sp3" } >> { "N3" "N" "sp3" } >> { "Oh" "O" "sp3" } >> { "Os" "O" "sp3" } >> { "O" "O" "sp2" } >> { "O2" "O" "sp2" } >> { "OW" "O" "sp3" } >> { "Oy" "O" "sp3" } >> { "S" "S" "sp3" } >> { "Sm" "S" "sp3" } >> { "P" "P" "sp3" } >> } >> # >> # load the main paramter set >> # >> glycam_06 = loadamberparams GLYCAM_06j.dat Loading parameters: /opt/software/amber/16/dat/leap/parm/GLYCAM_06j.dat Reading title: GLYCAM_06_H PARAMETERS (FOR AMBER 11.0, RESP 0.010), COPYRIGHT CCRC 2011 >> ## >> # >> # load all prep files for polysaccharides >> # >> loadamberprep GLYCAM_06j-1.prep Loading Prep file: /opt/software/amber/16/dat/leap/prep/GLYCAM_06j-1.prep Loaded UNIT: 0AA Loaded UNIT: 0AB Loaded UNIT: 0AD Loaded UNIT: 0AE Loaded UNIT: 0AF Loaded UNIT: 0AU Loaded UNIT: 0BA Loaded UNIT: 0BB Loaded UNIT: 0BC Loaded UNIT: 0BD Loaded UNIT: 0BU Loaded UNIT: 0CA Loaded UNIT: 0CB Loaded UNIT: 0CD Loaded UNIT: 0CU Loaded UNIT: 0DA Loaded UNIT: 0DB Loaded UNIT: 0DD Loaded UNIT: 0DU Loaded UNIT: 0EA Loaded UNIT: 0EB Loaded UNIT: 0FA Loaded UNIT: 0FB Loaded UNIT: 0GA Loaded UNIT: 0GB Loaded UNIT: 0GL Loaded UNIT: 0HA Loaded UNIT: 0HB Loaded UNIT: 0JA Loaded UNIT: 0JB Loaded UNIT: 0JD Loaded UNIT: 0JU Loaded UNIT: 0KA Loaded UNIT: 0KB Loaded UNIT: 0LA Loaded UNIT: 0LB Loaded UNIT: 0MA Loaded UNIT: 0MB Loaded UNIT: 0NA Loaded UNIT: 0NB Loaded UNIT: 0OA Loaded UNIT: 0OB Loaded UNIT: 0PA Loaded UNIT: 0PB Loaded UNIT: 0PD Loaded UNIT: 0PU Loaded UNIT: 0QA Loaded UNIT: 0QB Loaded UNIT: 0RA Loaded UNIT: 0RB Loaded UNIT: 0RD Loaded UNIT: 0RU Loaded UNIT: 0SA Loaded UNIT: 0SB Loaded UNIT: 0TA Loaded UNIT: 0TB Loaded UNIT: 0TV Loaded UNIT: 0Tv Loaded UNIT: 0UA Loaded UNIT: 0UB Loaded UNIT: 0VA Loaded UNIT: 0VB Loaded UNIT: 0WA Loaded UNIT: 0WB Loaded UNIT: 0XA Loaded UNIT: 0XB Loaded UNIT: 0XD Loaded UNIT: 0XU Loaded UNIT: 0YA Loaded UNIT: 0YB Loaded UNIT: 0ZA Loaded UNIT: 0ZB Loaded UNIT: 0aA Loaded UNIT: 0aB Loaded UNIT: 0aD Loaded UNIT: 0aU Loaded UNIT: 0bA Loaded UNIT: 0bB Loaded UNIT: 0bC Loaded UNIT: 0bD Loaded UNIT: 0bU Loaded UNIT: 0cA Loaded UNIT: 0cB Loaded UNIT: 0cD Loaded UNIT: 0cU Loaded UNIT: 0dA Loaded UNIT: 0dB Loaded UNIT: 0dD Loaded UNIT: 0dR Loaded UNIT: 0dU Loaded UNIT: 0eA Loaded UNIT: 0eB Loaded UNIT: 0fA Loaded UNIT: 0fB Loaded UNIT: 0gA Loaded UNIT: 0gB Loaded UNIT: 0gL Loaded UNIT: 0hA Loaded UNIT: 0hB Loaded UNIT: 0jA Loaded UNIT: 0jB Loaded UNIT: 0jD Loaded UNIT: 0jU Loaded UNIT: 0kA Loaded UNIT: 0kB Loaded UNIT: 0lA Loaded UNIT: 0lB Loaded UNIT: 0mA Loaded UNIT: 0mB Loaded UNIT: 0nA Loaded UNIT: 0nB Loaded UNIT: 0oA Loaded UNIT: 0oB Loaded UNIT: 0pA Loaded UNIT: 0pB Loaded UNIT: 0pD Loaded UNIT: 0pU Loaded UNIT: 0qA Loaded UNIT: 0qB Loaded UNIT: 0rA Loaded UNIT: 0rB Loaded UNIT: 0rD Loaded UNIT: 0rU Loaded UNIT: 0sA Loaded UNIT: 0sB Loaded UNIT: 0tA Loaded UNIT: 0tB Loaded UNIT: 0tV Loaded UNIT: 0tv Loaded UNIT: 0uA Loaded UNIT: 0uB Loaded UNIT: 0vA Loaded UNIT: 0vB Loaded UNIT: 0wA Loaded UNIT: 0wB Loaded UNIT: 0xA Loaded UNIT: 0xB Loaded UNIT: 0xD Loaded UNIT: 0xU Loaded UNIT: 0yA Loaded UNIT: 0yB Loaded UNIT: 0zA Loaded UNIT: 0zB Loaded UNIT: 1AA Loaded UNIT: 1AB Loaded UNIT: 1AD Loaded UNIT: 1AU Loaded UNIT: 1BA Loaded UNIT: 1BB Loaded UNIT: 1BD Loaded UNIT: 1BU Loaded UNIT: 1CA Loaded UNIT: 1CB Loaded UNIT: 1CD Loaded UNIT: 1CU Loaded UNIT: 1DA Loaded UNIT: 1DB Loaded UNIT: 1DD Loaded UNIT: 1DU Loaded UNIT: 1EA Loaded UNIT: 1EB Loaded UNIT: 1FA Loaded UNIT: 1FB Loaded UNIT: 1GA Loaded UNIT: 1GB Loaded UNIT: 1HA Loaded UNIT: 1HB Loaded UNIT: 1JA Loaded UNIT: 1JB Loaded UNIT: 1JD Loaded UNIT: 1JU Loaded UNIT: 1KA Loaded UNIT: 1KB Loaded UNIT: 1LA Loaded UNIT: 1LB Loaded UNIT: 1MA Loaded UNIT: 1MB Loaded UNIT: 1NA Loaded UNIT: 1NB Loaded UNIT: 1OA Loaded UNIT: 1OB Loaded UNIT: 1PA Loaded UNIT: 1PB Loaded UNIT: 1PD Loaded UNIT: 1PU Loaded UNIT: 1QA Loaded UNIT: 1QB Loaded UNIT: 1RA Loaded UNIT: 1RB Loaded UNIT: 1RD Loaded UNIT: 1RU Loaded UNIT: 1TA Loaded UNIT: 1TB Loaded UNIT: 1TV Loaded UNIT: 1Tv Loaded UNIT: 1UA Loaded UNIT: 1UB Loaded UNIT: 1VA Loaded UNIT: 1VB Loaded UNIT: 1WA Loaded UNIT: 1WB Loaded UNIT: 1XA Loaded UNIT: 1XB Loaded UNIT: 1XD Loaded UNIT: 1XU Loaded UNIT: 1YA Loaded UNIT: 1YB Loaded UNIT: 1ZA Loaded UNIT: 1ZB Loaded UNIT: 1aA Loaded UNIT: 1aB Loaded UNIT: 1aD Loaded UNIT: 1aU Loaded UNIT: 1bA Loaded UNIT: 1bB Loaded UNIT: 1bD Loaded UNIT: 1bU Loaded UNIT: 1cA Loaded UNIT: 1cB Loaded UNIT: 1cD Loaded UNIT: 1cU Loaded UNIT: 1dA Loaded UNIT: 1dB Loaded UNIT: 1dD Loaded UNIT: 1dU Loaded UNIT: 1eA Loaded UNIT: 1eB Loaded UNIT: 1fA Loaded UNIT: 1fB Loaded UNIT: 1gA Loaded UNIT: 1gB Loaded UNIT: 1hA Loaded UNIT: 1hB Loaded UNIT: 1jA Loaded UNIT: 1jB Loaded UNIT: 1jD Loaded UNIT: 1jU Loaded UNIT: 1kA Loaded UNIT: 1kB Loaded UNIT: 1lA Loaded UNIT: 1lB Loaded UNIT: 1mA Loaded UNIT: 1mB Loaded UNIT: 1nA Loaded UNIT: 1nB Loaded UNIT: 1oA Loaded UNIT: 1oB Loaded UNIT: 1pA Loaded UNIT: 1pB Loaded UNIT: 1pD Loaded UNIT: 1pU Loaded UNIT: 1qA Loaded UNIT: 1qB Loaded UNIT: 1rA Loaded UNIT: 1rB Loaded UNIT: 1rD Loaded UNIT: 1rU Loaded UNIT: 1tA Loaded UNIT: 1tB Loaded UNIT: 1tV Loaded UNIT: 1tv Loaded UNIT: 1uA Loaded UNIT: 1uB Loaded UNIT: 1vA Loaded UNIT: 1vB Loaded UNIT: 1wA Loaded UNIT: 1wB Loaded UNIT: 1xA Loaded UNIT: 1xB Loaded UNIT: 1xD Loaded UNIT: 1xU Loaded UNIT: 1yA Loaded UNIT: 1yB Loaded UNIT: 1zA Loaded UNIT: 1zB Loaded UNIT: 2AA Loaded UNIT: 2AB Loaded UNIT: 2AD Loaded UNIT: 2AE Loaded UNIT: 2AF Loaded UNIT: 2AU Loaded UNIT: 2BA Loaded UNIT: 2BB Loaded UNIT: 2BD Loaded UNIT: 2BU Loaded UNIT: 2CA Loaded UNIT: 2CB Loaded UNIT: 2CD Loaded UNIT: 2CU Loaded UNIT: 2DA Loaded UNIT: 2DB Loaded UNIT: 2DD Loaded UNIT: 2DU Loaded UNIT: 2EA Loaded UNIT: 2EB Loaded UNIT: 2FA Loaded UNIT: 2FB Loaded UNIT: 2GA Loaded UNIT: 2GB Loaded UNIT: 2HA Loaded UNIT: 2HB Loaded UNIT: 2JA Loaded UNIT: 2JB Loaded UNIT: 2JD Loaded UNIT: 2JU Loaded UNIT: 2KA Loaded UNIT: 2KB Loaded UNIT: 2LA Loaded UNIT: 2LB Loaded UNIT: 2MA Loaded UNIT: 2MB Loaded UNIT: 2NA Loaded UNIT: 2NB Loaded UNIT: 2OA Loaded UNIT: 2OB Loaded UNIT: 2PA Loaded UNIT: 2PB Loaded UNIT: 2PD Loaded UNIT: 2PU Loaded UNIT: 2QA Loaded UNIT: 2QB Loaded UNIT: 2RA Loaded UNIT: 2RB Loaded UNIT: 2RD Loaded UNIT: 2RU Loaded UNIT: 2TA Loaded UNIT: 2TB Loaded UNIT: 2TV Loaded UNIT: 2Tv Loaded UNIT: 2UA Loaded UNIT: 2UB Loaded UNIT: 2XA Loaded UNIT: 2XB Loaded UNIT: 2XD Loaded UNIT: 2XU Loaded UNIT: 2ZA Loaded UNIT: 2ZB Loaded UNIT: 2aA Loaded UNIT: 2aB Loaded UNIT: 2aD Loaded UNIT: 2aU Loaded UNIT: 2bA Loaded UNIT: 2bB Loaded UNIT: 2bD Loaded UNIT: 2bU Loaded UNIT: 2cA Loaded UNIT: 2cB Loaded UNIT: 2cD Loaded UNIT: 2cU Loaded UNIT: 2dA Loaded UNIT: 2dB Loaded UNIT: 2dD Loaded UNIT: 2dU Loaded UNIT: 2eA Loaded UNIT: 2eB Loaded UNIT: 2fA Loaded UNIT: 2fB Loaded UNIT: 2gA Loaded UNIT: 2gB Loaded UNIT: 2hA Loaded UNIT: 2hB Loaded UNIT: 2jA Loaded UNIT: 2jB Loaded UNIT: 2jD Loaded UNIT: 2jU Loaded UNIT: 2kA Loaded UNIT: 2kB Loaded UNIT: 2lA Loaded UNIT: 2lB Loaded UNIT: 2mA Loaded UNIT: 2mB Loaded UNIT: 2nA Loaded UNIT: 2nB Loaded UNIT: 2oA Loaded UNIT: 2oB Loaded UNIT: 2pA Loaded UNIT: 2pB Loaded UNIT: 2pD Loaded UNIT: 2pU Loaded UNIT: 2qA Loaded UNIT: 2qB Loaded UNIT: 2rA Loaded UNIT: 2rB Loaded UNIT: 2rD Loaded UNIT: 2rU Loaded UNIT: 2tA Loaded UNIT: 2tB Loaded UNIT: 2tV Loaded UNIT: 2tv Loaded UNIT: 2uA Loaded UNIT: 2uB Loaded UNIT: 2xA Loaded UNIT: 2xB Loaded UNIT: 2xD Loaded UNIT: 2xU Loaded UNIT: 2zA Loaded UNIT: 2zB Loaded UNIT: 3AA Loaded UNIT: 3AB Loaded UNIT: 3AD Loaded UNIT: 3AU Loaded UNIT: 3BA Loaded UNIT: 3BB Loaded UNIT: 3BC Loaded UNIT: 3BD Loaded UNIT: 3BU Loaded UNIT: 3CA Loaded UNIT: 3CB Loaded UNIT: 3CD Loaded UNIT: 3CU Loaded UNIT: 3DA Loaded UNIT: 3DB Loaded UNIT: 3DD Loaded UNIT: 3DU Loaded UNIT: 3EA Loaded UNIT: 3EB Loaded UNIT: 3FA Loaded UNIT: 3FB Loaded UNIT: 3GA Loaded UNIT: 3GB Loaded UNIT: 3HA Loaded UNIT: 3HB Loaded UNIT: 3JA Loaded UNIT: 3JB Loaded UNIT: 3JD Loaded UNIT: 3JU Loaded UNIT: 3KA Loaded UNIT: 3KB Loaded UNIT: 3LA Loaded UNIT: 3LB Loaded UNIT: 3MA Loaded UNIT: 3MB Loaded UNIT: 3NA Loaded UNIT: 3NB Loaded UNIT: 3OA Loaded UNIT: 3OB Loaded UNIT: 3PA Loaded UNIT: 3PB Loaded UNIT: 3PD Loaded UNIT: 3PU Loaded UNIT: 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Loaded UNIT: WxA Loaded UNIT: WxB Loaded UNIT: WyA Loaded UNIT: WyB Loaded UNIT: WzA Loaded UNIT: WzB Loaded UNIT: XEA Loaded UNIT: XEB Loaded UNIT: XGA Loaded UNIT: XGB Loaded UNIT: XKA Loaded UNIT: XKB Loaded UNIT: XLA Loaded UNIT: XLB Loaded UNIT: XMA Loaded UNIT: XMB Loaded UNIT: XNA Loaded UNIT: XNB Loaded UNIT: XTA Loaded UNIT: XTB Loaded UNIT: XeA Loaded UNIT: XeB Loaded UNIT: XgA Loaded UNIT: XgB Loaded UNIT: XkA Loaded UNIT: XkB Loaded UNIT: XlA Loaded UNIT: XlB Loaded UNIT: XmA Loaded UNIT: XmB Loaded UNIT: XnA Loaded UNIT: XnB Loaded UNIT: XtA Loaded UNIT: XtB Loaded UNIT: YAA Loaded UNIT: YAB Loaded UNIT: YAF Loaded UNIT: YDA Loaded UNIT: YDB Loaded UNIT: YEA Loaded UNIT: YEB Loaded UNIT: YFA Loaded UNIT: YFB Loaded UNIT: YGA Loaded UNIT: YGB Loaded UNIT: YGa Loaded UNIT: YHA Loaded UNIT: YHB Loaded UNIT: YKA Loaded UNIT: YKB Loaded UNIT: YLA Loaded UNIT: YLB Loaded UNIT: YMA Loaded UNIT: YMB Loaded UNIT: YNA Loaded UNIT: YNB Loaded UNIT: YOA Loaded UNIT: YOB Loaded UNIT: YQA Loaded UNIT: YQB Loaded UNIT: YRA Loaded UNIT: YRB Loaded UNIT: YTA Loaded UNIT: YTB Loaded UNIT: YTV Loaded UNIT: YTv Loaded UNIT: YUA Loaded UNIT: YUB Loaded UNIT: YXA Loaded UNIT: YXB Loaded UNIT: YZA Loaded UNIT: YZB Loaded UNIT: YaA Loaded UNIT: YaB Loaded UNIT: YdA Loaded UNIT: YdB Loaded UNIT: YeA Loaded UNIT: YeB Loaded UNIT: YfA Loaded UNIT: YfB Loaded UNIT: YgA Loaded UNIT: YgB Loaded UNIT: YhA Loaded UNIT: YhB Loaded UNIT: YkA Loaded UNIT: YkB Loaded UNIT: YlA Loaded UNIT: YlB Loaded UNIT: YmA Loaded UNIT: YmB Loaded UNIT: YnA Loaded UNIT: YnB Loaded UNIT: YoA Loaded UNIT: YoB Loaded UNIT: YqA Loaded UNIT: YqB Loaded UNIT: YrA Loaded UNIT: YrB Loaded UNIT: YtA Loaded UNIT: YtB Loaded UNIT: YtV Loaded UNIT: Ytv Loaded UNIT: YuA Loaded UNIT: YuB Loaded UNIT: YxA Loaded UNIT: YxB Loaded UNIT: YzA Loaded UNIT: YzB Loaded UNIT: ZAA Loaded UNIT: ZAB Loaded UNIT: ZAD Loaded UNIT: ZAU Loaded UNIT: ZDA Loaded UNIT: ZDB Loaded UNIT: ZDD Loaded UNIT: ZDU Loaded UNIT: ZEA Loaded UNIT: ZEB Loaded UNIT: ZFA Loaded UNIT: ZFB Loaded UNIT: ZGA Loaded UNIT: ZGB Loaded UNIT: ZHA Loaded UNIT: ZHB Loaded UNIT: ZKA Loaded UNIT: ZKB Loaded UNIT: ZLA Loaded UNIT: ZLB Loaded UNIT: ZMA Loaded UNIT: ZMB Loaded UNIT: ZNA Loaded UNIT: ZNB Loaded UNIT: ZOA Loaded UNIT: ZOB Loaded UNIT: ZOLS Loaded UNIT: ZOLT Loaded UNIT: ZQA Loaded UNIT: ZQB Loaded UNIT: ZRA Loaded UNIT: ZRB Loaded UNIT: ZRD Loaded UNIT: ZRU Loaded UNIT: ZTA Loaded UNIT: ZTB Loaded UNIT: ZUA Loaded UNIT: ZUB Loaded UNIT: ZXA Loaded UNIT: ZXB Loaded UNIT: ZXD Loaded UNIT: ZXU Loaded UNIT: ZZA Loaded UNIT: ZZB Loaded UNIT: ZaA Loaded UNIT: ZaB Loaded UNIT: ZaD Loaded UNIT: ZaU Loaded UNIT: ZdA Loaded UNIT: ZdB Loaded UNIT: ZdD Loaded UNIT: ZdU Loaded UNIT: ZeA Loaded UNIT: ZeB Loaded UNIT: ZfA Loaded UNIT: ZfB Loaded UNIT: ZgA Loaded UNIT: ZgB Loaded UNIT: ZhA Loaded UNIT: ZhB Loaded UNIT: ZkA Loaded UNIT: ZkB Loaded UNIT: ZlA Loaded UNIT: ZlB Loaded UNIT: ZmA Loaded UNIT: ZmB Loaded UNIT: ZnA Loaded UNIT: ZnB Loaded UNIT: ZoA Loaded UNIT: ZoB Loaded UNIT: ZqA Loaded UNIT: ZqB Loaded UNIT: ZrA Loaded UNIT: ZrB Loaded UNIT: ZrD Loaded UNIT: ZrU Loaded UNIT: ZtA Loaded UNIT: ZtB Loaded UNIT: ZuA Loaded UNIT: ZuB Loaded UNIT: ZxA Loaded UNIT: ZxB Loaded UNIT: ZxD Loaded UNIT: ZxU Loaded UNIT: ZzA Loaded UNIT: ZzB >> # >> # load lib files >> # >> # for attaching glycans to proteins >> loadOff GLYCAM_amino_06j_12SB.lib Loading library: /opt/software/amber/16/dat/leap/lib/GLYCAM_amino_06j_12SB.lib Loading: HYP Loading: NLN Loading: OLP Loading: OLS Loading: OLT >> loadOff GLYCAM_aminoct_06j_12SB.lib Loading library: /opt/software/amber/16/dat/leap/lib/GLYCAM_aminoct_06j_12SB.lib Loading: CHYP Loading: CNLN Loading: COLP Loading: COLS Loading: COLT >> loadOff GLYCAM_aminont_06j_12SB.lib Loading library: /opt/software/amber/16/dat/leap/lib/GLYCAM_aminont_06j_12SB.lib Loading: NHYP Loading: NNLN Loading: NOLP Loading: NOLS Loading: NOLT >> ## add residue maps for linking glycans to proteins >> ## Note! use of these requires sourcing the ff12SB leaprc and loading the amino >> ## libraries commented out in the load libs section >> addPdbResMap { >> { 0 "OLS" "NOLS" } { 1 "OLS" "COLS" } >> { 0 "OLT" "NOLT" } { 1 "OLT" "COLT" } >> { 0 "OLP" "NOLP" } { 1 "OLP" "COLP" } >> { 0 "HYP" "NHYP" } { 1 "HYP" "CHYP" } >> { 0 "NLN" "NNLN" } { 1 "NLN" "CNLN" } >> } Substituting map 0HYP -> NHYP for 0HYP -> HYP Substituting map 1HYP -> CHYP for 1HYP -> CHYP >> # >> # for explicit solvent and ions >> # >> # the following assumes most users want to use tip3p as the >> # explicit solvent model >> # this can easily switched by the following commands in leap: >> # WAT = TP5 >> # loadamberparams frcmod.tip5p >> # >> loadOff solvents.lib # solvents Loading library: /opt/software/amber/16/dat/leap/lib/solvents.lib Loading: CHCL3BOX Loading: DC4 Loading: FB3 Loading: FB3BOX Loading: FB4 Loading: FB4BOX Loading: MEOHBOX Loading: NMABOX Loading: OP3 Loading: OPC Loading: OPC3BOX Loading: OPCBOX Loading: PL3 Loading: POL3BOX Loading: QSPCFWBOX Loading: SPC Loading: SPCBOX Loading: SPCFWBOX Loading: SPF Loading: SPG Loading: T4E Loading: TIP3PBOX Loading: TIP3PFBOX Loading: TIP4PBOX Loading: TIP4PEWBOX Loading: TIP5PBOX Loading: TP3 Loading: TP4 Loading: TP5 Loading: TPF >> HOH = TP3 # set default water model >> WAT = TP3 >> loadOff atomic_ions.lib # load ions library Loading library: /opt/software/amber/16/dat/leap/lib/atomic_ions.lib Loading: AG Loading: AL Loading: Ag Loading: BA Loading: BR Loading: Be Loading: CA Loading: CD Loading: CE Loading: CL Loading: CO Loading: CR Loading: CS Loading: CU Loading: CU1 Loading: Ce Loading: Cl- Loading: Cr Loading: Dy Loading: EU Loading: EU3 Loading: Er Loading: F Loading: FE Loading: FE2 Loading: GD3 Loading: H3O+ Loading: HE+ Loading: HG Loading: HZ+ Loading: Hf Loading: IN Loading: IOD Loading: K Loading: K+ Loading: LA Loading: LI Loading: LU Loading: MG Loading: MN Loading: NA Loading: NH4 Loading: NI Loading: Na+ Loading: Nd Loading: PB Loading: PD Loading: PR Loading: PT Loading: Pu Loading: RB Loading: Ra Loading: SM Loading: SR Loading: Sm Loading: Sn Loading: TB Loading: TL Loading: Th Loading: Tl Loading: Tm Loading: U4+ Loading: V2+ Loading: Y Loading: YB2 Loading: ZN Loading: Zr >> # to use ions for TIP5P, you will need to use a different frcmod below >> # If desired, see the AMBER manual for additional ion force field options. >> ionsff = loadamberparams frcmod.ionsjc_tip3p # set ion params for TIP3P Loading parameters: /opt/software/amber/16/dat/leap/parm/frcmod.ionsjc_tip3p Reading force field modification type file (frcmod) Reading title: Monovalent ion parameters for Ewald and TIP3P water from Joung & Cheatham JPCB (2008) > > g1I8LA = loadPdb "1I8LA_Amber2.pdb" Loading PDB file: ./1I8LA_Amber2.pdb Enter zPdbReadScan from call depth 0. Exit zPdbReadScan from call depth 0. Matching PDB residue names to LEaP variables. Mapped residue VAL, term: Terminal/beginning, seq. number: 0 to: NVAL. (Residue 1: ILE, Nonterminal, was not found in name map.) (Residue 2: HID, Nonterminal, was not found in name map.) (Residue 3: VAL, Nonterminal, was not found in name map.) (Residue 4: THR, Nonterminal, was not found in name map.) (Residue 5: LYS, Nonterminal, was not found in name map.) (Residue 6: GLU, Nonterminal, was not found in name map.) (Residue 7: VAL, Nonterminal, was not found in name map.) (Residue 8: LYS, Nonterminal, was not found in name map.) (Residue 9: GLU, Nonterminal, was not found in name map.) (Residue 10: VAL, Nonterminal, was not found in name map.) (Residue 11: ALA, Nonterminal, was not found in name map.) (Residue 12: THR, Nonterminal, was not found in name map.) (Residue 13: LEU, Nonterminal, was not found in name map.) (Residue 14: SER, Nonterminal, was not found in name map.) (Residue 15: CYX, Nonterminal, was not found in name map.) (Residue 16: GLY, Nonterminal, was not found in name map.) (Residue 17: HIE, Nonterminal, was not found in name map.) Mapped residue NLN, term: Terminal/last, seq. number: 18 to: CNLN. Mapped residue VAL, term: Terminal/beginning, seq. number: 19 to: NVAL. (Residue 20: SER, Nonterminal, was not found in name map.) (Residue 21: VAL, Nonterminal, was not found in name map.) (Residue 22: GLU, Nonterminal, was not found in name map.) (Residue 23: GLU, Nonterminal, was not found in name map.) (Residue 24: LEU, Nonterminal, was not found in name map.) (Residue 25: ALA, Nonterminal, was not found in name map.) (Residue 26: GLN, Nonterminal, was not found in name map.) (Residue 27: THR, Nonterminal, was not found in name map.) (Residue 28: ARG, Nonterminal, was not found in name map.) (Residue 29: ILE, Nonterminal, was not found in name map.) (Residue 30: TYR, Nonterminal, was not found in name map.) (Residue 31: TRP, Nonterminal, was not found in name map.) (Residue 32: GLN, Nonterminal, was not found in name map.) (Residue 33: LYS, Nonterminal, was not found in name map.) (Residue 34: GLU, Nonterminal, was not found in name map.) (Residue 35: LYS, Nonterminal, was not found in name map.) (Residue 36: LYS, Nonterminal, was not found in name map.) (Residue 37: MET, Nonterminal, was not found in name map.) (Residue 38: VAL, Nonterminal, was not found in name map.) (Residue 39: LEU, Nonterminal, was not found in name map.) (Residue 40: THR, Nonterminal, was not found in name map.) (Residue 41: MET, Nonterminal, was not found in name map.) (Residue 42: MET, Nonterminal, was not found in name map.) (Residue 43: SER, Nonterminal, was not found in name map.) (Residue 44: GLY, Nonterminal, was not found in name map.) (Residue 45: ASP, Nonterminal, was not found in name map.) (Residue 46: MET, Nonterminal, was not found in name map.) (Residue 47: ASN, Nonterminal, was not found in name map.) (Residue 48: ILE, Nonterminal, was not found in name map.) (Residue 49: TRP, Nonterminal, was not found in name map.) (Residue 50: PRO, Nonterminal, was not found in name map.) (Residue 51: GLU, Nonterminal, was not found in name map.) (Residue 52: TYR, Nonterminal, was not found in name map.) (Residue 53: LYS, Nonterminal, was not found in name map.) Mapped residue NLN, term: Terminal/last, seq. number: 54 to: CNLN. Mapped residue ARG, term: Terminal/beginning, seq. number: 55 to: NARG. (Residue 56: THR, Nonterminal, was not found in name map.) (Residue 57: ILE, Nonterminal, was not found in name map.) (Residue 58: PHE, Nonterminal, was not found in name map.) (Residue 59: ASP, Nonterminal, was not found in name map.) (Residue 60: ILE, Nonterminal, was not found in name map.) (Residue 61: THR, Nonterminal, was not found in name map.) (Residue 62: ASN, Nonterminal, was not found in name map.) Mapped residue NLN, term: Terminal/last, seq. number: 63 to: CNLN. Mapped residue LEU, term: Terminal/beginning, seq. number: 64 to: NLEU. (Residue 65: SER, Nonterminal, was not found in name map.) (Residue 66: ILE, Nonterminal, was not found in name map.) (Residue 67: VAL, Nonterminal, was not found in name map.) (Residue 68: ILE, Nonterminal, was not found in name map.) (Residue 69: LEU, Nonterminal, was not found in name map.) (Residue 70: ALA, Nonterminal, was not found in name map.) (Residue 71: LEU, Nonterminal, was not found in name map.) (Residue 72: ARG, Nonterminal, was not found in name map.) (Residue 73: PRO, Nonterminal, was not found in name map.) (Residue 74: SER, Nonterminal, was not found in name map.) (Residue 75: ASP, Nonterminal, was not found in name map.) (Residue 76: GLU, Nonterminal, was not found in name map.) (Residue 77: GLY, Nonterminal, was not found in name map.) (Residue 78: THR, Nonterminal, was not found in name map.) (Residue 79: TYR, Nonterminal, was not found in name map.) (Residue 80: GLU, Nonterminal, was not found in name map.) (Residue 81: CYX, Nonterminal, was not found in name map.) (Residue 82: VAL, Nonterminal, was not found in name map.) (Residue 83: VAL, Nonterminal, was not found in name map.) (Residue 84: LEU, Nonterminal, was not found in name map.) (Residue 85: LYS, Nonterminal, was not found in name map.) (Residue 86: TYR, Nonterminal, was not found in name map.) (Residue 87: GLU, Nonterminal, was not found in name map.) (Residue 88: LYS, Nonterminal, was not found in name map.) (Residue 89: ASP, Nonterminal, was not found in name map.) (Residue 90: ALA, Nonterminal, was not found in name map.) (Residue 91: PHE, Nonterminal, was not found in name map.) (Residue 92: LYS, Nonterminal, was not found in name map.) (Residue 93: ARG, Nonterminal, was not found in name map.) (Residue 94: GLU, Nonterminal, was not found in name map.) (Residue 95: HID, Nonterminal, was not found in name map.) (Residue 96: LEU, Nonterminal, was not found in name map.) (Residue 97: ALA, Nonterminal, was not found in name map.) (Residue 98: GLU, Nonterminal, was not found in name map.) (Residue 99: VAL, Nonterminal, was not found in name map.) (Residue 100: THR, Nonterminal, was not found in name map.) (Residue 101: LEU, Nonterminal, was not found in name map.) (Residue 102: SER, Nonterminal, was not found in name map.) (Residue 103: VAL, Nonterminal, was not found in name map.) (Residue 104: LYS, Nonterminal, was not found in name map.) (Residue 105: ALA, Nonterminal, was not found in name map.) (Residue 106: ASP, Nonterminal, was not found in name map.) (Residue 107: PHE, Nonterminal, was not found in name map.) (Residue 108: PRO, Nonterminal, was not found in name map.) (Residue 109: THR, Nonterminal, was not found in name map.) (Residue 110: PRO, Nonterminal, was not found in name map.) (Residue 111: SER, Nonterminal, was not found in name map.) (Residue 112: ILE, Nonterminal, was not found in name map.) (Residue 113: SER, Nonterminal, was not found in name map.) (Residue 114: ASP, Nonterminal, was not found in name map.) (Residue 115: PHE, Nonterminal, was not found in name map.) (Residue 116: GLU, Nonterminal, was not found in name map.) (Residue 117: ILE, Nonterminal, was not found in name map.) (Residue 118: PRO, Nonterminal, was not found in name map.) (Residue 119: THR, Nonterminal, was not found in name map.) (Residue 120: SER, Nonterminal, was not found in name map.) (Residue 121: ASN, Nonterminal, was not found in name map.) (Residue 122: ILE, Nonterminal, was not found in name map.) (Residue 123: ARG, Nonterminal, was not found in name map.) (Residue 124: ARG, Nonterminal, was not found in name map.) (Residue 125: ILE, Nonterminal, was not found in name map.) (Residue 126: ILE, Nonterminal, was not found in name map.) (Residue 127: CYX, Nonterminal, was not found in name map.) (Residue 128: SER, Nonterminal, was not found in name map.) (Residue 129: THR, Nonterminal, was not found in name map.) (Residue 130: SER, Nonterminal, was not found in name map.) (Residue 131: GLY, Nonterminal, was not found in name map.) (Residue 132: GLY, Nonterminal, was not found in name map.) (Residue 133: PHE, Nonterminal, was not found in name map.) (Residue 134: PRO, Nonterminal, was not found in name map.) (Residue 135: GLU, Nonterminal, was not found in name map.) (Residue 136: PRO, Nonterminal, was not found in name map.) (Residue 137: HID, Nonterminal, was not found in name map.) (Residue 138: LEU, Nonterminal, was not found in name map.) (Residue 139: SER, Nonterminal, was not found in name map.) (Residue 140: TRP, Nonterminal, was not found in name map.) (Residue 141: LEU, Nonterminal, was not found in name map.) (Residue 142: GLU, Nonterminal, was not found in name map.) (Residue 143: ASN, Nonterminal, was not found in name map.) (Residue 144: GLY, Nonterminal, was not found in name map.) (Residue 145: GLU, Nonterminal, was not found in name map.) (Residue 146: GLU, Nonterminal, was not found in name map.) (Residue 147: LEU, Nonterminal, was not found in name map.) (Residue 148: ASN, Nonterminal, was not found in name map.) (Residue 149: ALA, Nonterminal, was not found in name map.) (Residue 150: ILE, Nonterminal, was not found in name map.) Mapped residue NLN, term: Terminal/last, seq. number: 151 to: CNLN. Mapped residue THR, term: Terminal/beginning, seq. number: 152 to: NTHR. (Residue 153: THR, Nonterminal, was not found in name map.) (Residue 154: VAL, Nonterminal, was not found in name map.) (Residue 155: SER, Nonterminal, was not found in name map.) (Residue 156: GLN, Nonterminal, was not found in name map.) (Residue 157: ASP, Nonterminal, was not found in name map.) (Residue 158: PRO, Nonterminal, was not found in name map.) (Residue 159: GLU, Nonterminal, was not found in name map.) (Residue 160: THR, Nonterminal, was not found in name map.) (Residue 161: GLU, Nonterminal, was not found in name map.) (Residue 162: LEU, Nonterminal, was not found in name map.) (Residue 163: TYR, Nonterminal, was not found in name map.) (Residue 164: ALA, Nonterminal, was not found in name map.) (Residue 165: VAL, Nonterminal, was not found in name map.) (Residue 166: SER, Nonterminal, was not found in name map.) (Residue 167: SER, Nonterminal, was not found in name map.) (Residue 168: LYS, Nonterminal, was not found in name map.) (Residue 169: LEU, Nonterminal, was not found in name map.) (Residue 170: ASP, Nonterminal, was not found in name map.) (Residue 171: PHE, Nonterminal, was not found in name map.) Mapped residue NLN, term: Terminal/last, seq. number: 172 to: CNLN. Mapped residue MET, term: Terminal/beginning, seq. number: 173 to: NMET. (Residue 174: THR, Nonterminal, was not found in name map.) (Residue 175: THR, Nonterminal, was not found in name map.) Mapped residue NLN, term: Terminal/last, seq. number: 176 to: CNLN. Mapped residue HID, term: Terminal/beginning, seq. number: 177 to: NHID. (Residue 178: SER, Nonterminal, was not found in name map.) (Residue 179: PHE, Nonterminal, was not found in name map.) (Residue 180: MET, Nonterminal, was not found in name map.) (Residue 181: CYX, Nonterminal, was not found in name map.) (Residue 182: LEU, Nonterminal, was not found in name map.) (Residue 183: ILE, Nonterminal, was not found in name map.) (Residue 184: LYS, Nonterminal, was not found in name map.) (Residue 185: TYR, Nonterminal, was not found in name map.) (Residue 186: GLY, Nonterminal, was not found in name map.) (Residue 187: HID, Nonterminal, was not found in name map.) (Residue 188: LEU, Nonterminal, was not found in name map.) (Residue 189: ARG, Nonterminal, was not found in name map.) (Residue 190: VAL, Nonterminal, was not found in name map.) Mapped residue NLN, term: Terminal/last, seq. number: 191 to: CNLN. Mapped residue GLN, term: Terminal/beginning, seq. number: 192 to: NGLN. (Residue 193: THR, Nonterminal, was not found in name map.) (Residue 194: PHE, Nonterminal, was not found in name map.) (Residue 195: ASN, Nonterminal, was not found in name map.) (Residue 196: TRP, Nonterminal, was not found in name map.) Mapped residue NLN, term: Terminal/last, seq. number: 197 to: CNLN. Mapped residue THR, term: Terminal/beginning, seq. number: 198 to: NTHR. (Residue 199: THR, Nonterminal, was not found in name map.) (Residue 200: LYS, Nonterminal, was not found in name map.) (Residue 201: GLN, Nonterminal, was not found in name map.) (Residue 202: GLU, Nonterminal, was not found in name map.) (Residue 203: HID, Nonterminal, was not found in name map.) (Residue 204: PHE, Nonterminal, was not found in name map.) (Residue 205: PRO, Nonterminal, was not found in name map.) (Residue 206: ASP, Nonterminal, was not found in name map.) Mapped residue ASN, term: Terminal/last, seq. number: 207 to: CASN. (Residue 208: 0YB, Terminal/last, was not found in name map.) (Residue 209: 0YB, Terminal/last, was not found in name map.) (Residue 210: 0YB, Terminal/last, was not found in name map.) (Residue 211: 0YB, Terminal/last, was not found in name map.) (Residue 212: 0YB, Terminal/last, was not found in name map.) (Residue 213: 0YB, Terminal/last, was not found in name map.) (Residue 214: 0YB, Terminal/last, was not found in name map.) (Residue 215: 0YB, Terminal/last, was not found in name map.) Created a new atom named: HT1 within residue: .R Created a new atom named: HT2 within residue: .R Created a new atom named: HT3 within residue: .R Joining NVAL - ILE Created a new atom named: HN within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD2 within residue: .R Created a new atom named: HD3 within residue: .R Joining ILE - HID Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining HID - VAL Created a new atom named: HN within residue: .R Joining VAL - THR Created a new atom named: HN within residue: .R Joining THR - LYS Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HE1 within residue: .R Joining LYS - GLU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLU - VAL Created a new atom named: HN within residue: .R Joining VAL - LYS Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HE1 within residue: .R Joining LYS - GLU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLU - VAL Created a new atom named: HN within residue: .R Joining VAL - ALA Created a new atom named: HN within residue: .R Joining ALA - THR Created a new atom named: HN within residue: .R Joining THR - LEU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining LEU - SER Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining SER - CYX Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining CYX - GLY Created a new atom named: HN within residue: .R Created a new atom named: HA1 within residue: .R Joining GLY - HIE Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining HIE - CNLN Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HD22 within residue: .R Added missing heavy atom: .R.A Created a new atom named: HN within residue: .R Joining NVAL - SER Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining SER - VAL Created a new atom named: HN within residue: .R Joining VAL - GLU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLU - GLU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLU - LEU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining LEU - ALA Created a new atom named: HN within residue: .R Joining ALA - GLN Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLN - THR Created a new atom named: HN within residue: .R Joining THR - ARG Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: HD1 within residue: .R Joining ARG - ILE Created a new atom named: HN within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD2 within residue: .R Created a new atom named: HD3 within residue: .R Joining ILE - TYR Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining TYR - TRP Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining TRP - GLN Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLN - LYS Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HE1 within residue: .R Joining LYS - GLU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLU - LYS Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HE1 within residue: .R Joining LYS - LYS Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HE1 within residue: .R Joining LYS - MET Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining MET - VAL Created a new atom named: HN within residue: .R Joining VAL - LEU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining LEU - THR Created a new atom named: HN within residue: .R Joining THR - MET Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining MET - MET Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining MET - SER Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining SER - GLY Created a new atom named: HN within residue: .R Created a new atom named: HA1 within residue: .R Joining GLY - ASP Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining ASP - MET Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining MET - ASN Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining ASN - ILE Created a new atom named: HN within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD2 within residue: .R Created a new atom named: HD3 within residue: .R Joining ILE - TRP Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining TRP - PRO Created a new atom named: HD1 within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining PRO - GLU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLU - TYR Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining TYR - LYS Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HE1 within residue: .R Joining LYS - CNLN Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HD22 within residue: .R Added missing heavy atom: .R.A Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: HD1 within residue: .R Joining NARG - THR Created a new atom named: HN within residue: .R Joining THR - ILE Created a new atom named: HN within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD2 within residue: .R Created a new atom named: HD3 within residue: .R Joining ILE - PHE Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining PHE - ASP Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining ASP - ILE Created a new atom named: HN within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD2 within residue: .R Created a new atom named: HD3 within residue: .R Joining ILE - THR Created a new atom named: HN within residue: .R Joining THR - ASN Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining ASN - CNLN Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HD22 within residue: .R Added missing heavy atom: .R.A Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining NLEU - SER Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining SER - ILE Created a new atom named: HN within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD2 within residue: .R Created a new atom named: HD3 within residue: .R Joining ILE - VAL Created a new atom named: HN within residue: .R Joining VAL - ILE Created a new atom named: HN within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD2 within residue: .R Created a new atom named: HD3 within residue: .R Joining ILE - LEU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining LEU - ALA Created a new atom named: HN within residue: .R Joining ALA - LEU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining LEU - ARG Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: HD1 within residue: .R Joining ARG - PRO Created a new atom named: HD1 within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining PRO - SER Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining SER - ASP Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining ASP - GLU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLU - GLY Created a new atom named: HN within residue: .R Created a new atom named: HA1 within residue: .R Joining GLY - THR Created a new atom named: HN within residue: .R Joining THR - TYR Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining TYR - GLU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLU - CYX Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining CYX - VAL Created a new atom named: HN within residue: .R Joining VAL - VAL Created a new atom named: HN within residue: .R Joining VAL - LEU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining LEU - LYS Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HE1 within residue: .R Joining LYS - TYR Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining TYR - GLU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLU - LYS Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HE1 within residue: .R Joining LYS - ASP Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining ASP - ALA Created a new atom named: HN within residue: .R Joining ALA - PHE Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining PHE - LYS Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HE1 within residue: .R Joining LYS - ARG Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: HD1 within residue: .R Joining ARG - GLU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLU - HID Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining HID - LEU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining LEU - ALA Created a new atom named: HN within residue: .R Joining ALA - GLU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLU - VAL Created a new atom named: HN within residue: .R Joining VAL - THR Created a new atom named: HN within residue: .R Joining THR - LEU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining LEU - SER Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining SER - VAL Created a new atom named: HN within residue: .R Joining VAL - LYS Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HE1 within residue: .R Joining LYS - ALA Created a new atom named: HN within residue: .R Joining ALA - ASP Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining ASP - PHE Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining PHE - PRO Created a new atom named: HD1 within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining PRO - THR Created a new atom named: HN within residue: .R Joining THR - PRO Created a new atom named: HD1 within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining PRO - SER Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining SER - ILE Created a new atom named: HN within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD2 within residue: .R Created a new atom named: HD3 within residue: .R Joining ILE - SER Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining SER - ASP Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining ASP - PHE Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining PHE - GLU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLU - ILE Created a new atom named: HN within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD2 within residue: .R Created a new atom named: HD3 within residue: .R Joining ILE - PRO Created a new atom named: HD1 within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining PRO - THR Created a new atom named: HN within residue: .R Joining THR - SER Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining SER - ASN Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining ASN - ILE Created a new atom named: HN within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD2 within residue: .R Created a new atom named: HD3 within residue: .R Joining ILE - ARG Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: HD1 within residue: .R Joining ARG - ARG Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: HD1 within residue: .R Joining ARG - ILE Created a new atom named: HN within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD2 within residue: .R Created a new atom named: HD3 within residue: .R Joining ILE - ILE Created a new atom named: HN within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD2 within residue: .R Created a new atom named: HD3 within residue: .R Joining ILE - CYX Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining CYX - SER Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining SER - THR Created a new atom named: HN within residue: .R Joining THR - SER Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining SER - GLY Created a new atom named: HN within residue: .R Created a new atom named: HA1 within residue: .R Joining GLY - GLY Created a new atom named: HN within residue: .R Created a new atom named: HA1 within residue: .R Joining GLY - PHE Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining PHE - PRO Created a new atom named: HD1 within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining PRO - GLU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLU - PRO Created a new atom named: HD1 within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining PRO - HID Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining HID - LEU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining LEU - SER Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining SER - TRP Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining TRP - LEU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining LEU - GLU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLU - ASN Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining ASN - GLY Created a new atom named: HN within residue: .R Created a new atom named: HA1 within residue: .R Joining GLY - GLU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLU - GLU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLU - LEU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining LEU - ASN Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining ASN - ALA Created a new atom named: HN within residue: .R Joining ALA - ILE Created a new atom named: HN within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD2 within residue: .R Created a new atom named: HD3 within residue: .R Joining ILE - CNLN Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HD22 within residue: .R Added missing heavy atom: .R.A Created a new atom named: HN within residue: .R Joining NTHR - THR Created a new atom named: HN within residue: .R Joining THR - VAL Created a new atom named: HN within residue: .R Joining VAL - SER Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining SER - GLN Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLN - ASP Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining ASP - PRO Created a new atom named: HD1 within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining PRO - GLU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLU - THR Created a new atom named: HN within residue: .R Joining THR - GLU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLU - LEU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining LEU - TYR Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining TYR - ALA Created a new atom named: HN within residue: .R Joining ALA - VAL Created a new atom named: HN within residue: .R Joining VAL - SER Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining SER - SER Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining SER - LYS Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HE1 within residue: .R Joining LYS - LEU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining LEU - ASP Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining ASP - PHE Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining PHE - CNLN Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HD22 within residue: .R Added missing heavy atom: .R.A Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining NMET - THR Created a new atom named: HN within residue: .R Joining THR - THR Created a new atom named: HN within residue: .R Joining THR - CNLN Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HD22 within residue: .R Added missing heavy atom: .R.A Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining NHID - SER Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining SER - PHE Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining PHE - MET Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining MET - CYX Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining CYX - LEU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining LEU - ILE Created a new atom named: HN within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HD2 within residue: .R Created a new atom named: HD3 within residue: .R Joining ILE - LYS Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HE1 within residue: .R Joining LYS - TYR Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining TYR - GLY Created a new atom named: HN within residue: .R Created a new atom named: HA1 within residue: .R Joining GLY - HID Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining HID - LEU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining LEU - ARG Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: HD1 within residue: .R Joining ARG - VAL Created a new atom named: HN within residue: .R Joining VAL - CNLN Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HD22 within residue: .R Added missing heavy atom: .R.A Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining NGLN - THR Created a new atom named: HN within residue: .R Joining THR - PHE Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining PHE - ASN Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining ASN - TRP Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining TRP - CNLN Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HD22 within residue: .R Added missing heavy atom: .R.A Created a new atom named: HN within residue: .R Joining NTHR - THR Created a new atom named: HN within residue: .R Joining THR - LYS Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: HD1 within residue: .R Created a new atom named: HE1 within residue: .R Joining LYS - GLN Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLN - GLU Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining GLU - HID Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining HID - PHE Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining PHE - PRO Created a new atom named: HD1 within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: HG1 within residue: .R Joining PRO - ASP Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Joining ASP - CASN Created a new atom named: HN within residue: .R Created a new atom named: HB1 within residue: .R Created a new atom named: OT1 within residue: .R Created a new atom named: OT2 within residue: .R Added missing heavy atom: .R.A Added missing heavy atom: .R.A Created a new atom named: N within residue: .R<0YB 209> Created a new atom named: HN within residue: .R<0YB 209> Created a new atom named: C within residue: .R<0YB 209> Created a new atom named: O within residue: .R<0YB 209> Created a new atom named: CT within residue: .R<0YB 209> Created a new atom named: HT1 within residue: .R<0YB 209> Created a new atom named: HT2 within residue: .R<0YB 209> Created a new atom named: HT3 within residue: .R<0YB 209> Created a new atom named: HO3 within residue: .R<0YB 209> Created a new atom named: HO4 within residue: .R<0YB 209> Created a new atom named: HO6 within residue: .R<0YB 209> Added missing heavy atom: .R<0YB 209>.A Added missing heavy atom: .R<0YB 209>.A Added missing heavy atom: .R<0YB 209>.A Added missing heavy atom: .R<0YB 209>.A Created a new atom named: N within residue: .R<0YB 210> Created a new atom named: HN within residue: .R<0YB 210> Created a new atom named: C within residue: .R<0YB 210> Created a new atom named: O within residue: .R<0YB 210> Created a new atom named: CT within residue: .R<0YB 210> Created a new atom named: HT1 within residue: .R<0YB 210> Created a new atom named: HT2 within residue: .R<0YB 210> Created a new atom named: HT3 within residue: .R<0YB 210> Created a new atom named: HO3 within residue: .R<0YB 210> Created a new atom named: HO4 within residue: .R<0YB 210> Created a new atom named: HO6 within residue: .R<0YB 210> Added missing heavy atom: .R<0YB 210>.A Added missing heavy atom: .R<0YB 210>.A Added missing heavy atom: .R<0YB 210>.A Added missing heavy atom: .R<0YB 210>.A Created a new atom named: N within residue: .R<0YB 211> Created a new atom named: HN within residue: .R<0YB 211> Created a new atom named: C within residue: .R<0YB 211> Created a new atom named: O within residue: .R<0YB 211> Created a new atom named: CT within residue: .R<0YB 211> Created a new atom named: HT1 within residue: .R<0YB 211> Created a new atom named: HT2 within residue: .R<0YB 211> Created a new atom named: HT3 within residue: .R<0YB 211> Created a new atom named: HO3 within residue: .R<0YB 211> Created a new atom named: HO4 within residue: .R<0YB 211> Created a new atom named: HO6 within residue: .R<0YB 211> Added missing heavy atom: .R<0YB 211>.A Added missing heavy atom: .R<0YB 211>.A Added missing heavy atom: .R<0YB 211>.A Added missing heavy atom: .R<0YB 211>.A Created a new atom named: N within residue: .R<0YB 212> Created a new atom named: HN within residue: .R<0YB 212> Created a new atom named: C within residue: .R<0YB 212> Created a new atom named: O within residue: .R<0YB 212> Created a new atom named: CT within residue: .R<0YB 212> Created a new atom named: HT1 within residue: .R<0YB 212> Created a new atom named: HT2 within residue: .R<0YB 212> Created a new atom named: HT3 within residue: .R<0YB 212> Created a new atom named: HO3 within residue: .R<0YB 212> Created a new atom named: HO4 within residue: .R<0YB 212> Created a new atom named: HO6 within residue: .R<0YB 212> Added missing heavy atom: .R<0YB 212>.A Added missing heavy atom: .R<0YB 212>.A Added missing heavy atom: .R<0YB 212>.A Added missing heavy atom: .R<0YB 212>.A Created a new atom named: N within residue: .R<0YB 213> Created a new atom named: HN within residue: .R<0YB 213> Created a new atom named: C within residue: .R<0YB 213> Created a new atom named: O within residue: .R<0YB 213> Created a new atom named: CT within residue: .R<0YB 213> Created a new atom named: HT1 within residue: .R<0YB 213> Created a new atom named: HT2 within residue: .R<0YB 213> Created a new atom named: HT3 within residue: .R<0YB 213> Created a new atom named: HO3 within residue: .R<0YB 213> Created a new atom named: HO4 within residue: .R<0YB 213> Created a new atom named: HO6 within residue: .R<0YB 213> Added missing heavy atom: .R<0YB 213>.A Added missing heavy atom: .R<0YB 213>.A Added missing heavy atom: .R<0YB 213>.A Added missing heavy atom: .R<0YB 213>.A Created a new atom named: N within residue: .R<0YB 214> Created a new atom named: HN within residue: .R<0YB 214> Created a new atom named: C within residue: .R<0YB 214> Created a new atom named: O within residue: .R<0YB 214> Created a new atom named: CT within residue: .R<0YB 214> Created a new atom named: HT1 within residue: .R<0YB 214> Created a new atom named: HT2 within residue: .R<0YB 214> Created a new atom named: HT3 within residue: .R<0YB 214> Created a new atom named: HO3 within residue: .R<0YB 214> Created a new atom named: HO4 within residue: .R<0YB 214> Created a new atom named: HO6 within residue: .R<0YB 214> Added missing heavy atom: .R<0YB 214>.A Added missing heavy atom: .R<0YB 214>.A Added missing heavy atom: .R<0YB 214>.A Added missing heavy atom: .R<0YB 214>.A Created a new atom named: N within residue: .R<0YB 215> Created a new atom named: HN within residue: .R<0YB 215> Created a new atom named: C within residue: .R<0YB 215> Created a new atom named: O within residue: .R<0YB 215> Created a new atom named: CT within residue: .R<0YB 215> Created a new atom named: HT1 within residue: .R<0YB 215> Created a new atom named: HT2 within residue: .R<0YB 215> Created a new atom named: HT3 within residue: .R<0YB 215> Created a new atom named: HO3 within residue: .R<0YB 215> Created a new atom named: HO4 within residue: .R<0YB 215> Created a new atom named: HO6 within residue: .R<0YB 215> Added missing heavy atom: .R<0YB 215>.A Added missing heavy atom: .R<0YB 215>.A Added missing heavy atom: .R<0YB 215>.A Added missing heavy atom: .R<0YB 215>.A Created a new atom named: N within residue: .R<0YB 216> Created a new atom named: HN within residue: .R<0YB 216> Created a new atom named: C within residue: .R<0YB 216> Created a new atom named: O within residue: .R<0YB 216> Created a new atom named: CT within residue: .R<0YB 216> Created a new atom named: HT1 within residue: .R<0YB 216> Created a new atom named: HT2 within residue: .R<0YB 216> Created a new atom named: HT3 within residue: .R<0YB 216> Created a new atom named: HO3 within residue: .R<0YB 216> Created a new atom named: HO4 within residue: .R<0YB 216> Created a new atom named: HO6 within residue: .R<0YB 216> Added missing heavy atom: .R<0YB 216>.A Added missing heavy atom: .R<0YB 216>.A Added missing heavy atom: .R<0YB 216>.A Added missing heavy atom: .R<0YB 216>.A total atoms in file: 3535 Leap added 648 missing atoms according to residue templates: 42 Heavy 606 H / lone pairs The file contained 628 atoms not in residue templates > bond g1I8LA.16.SG g1I8LA.82.SG > bond g1I8LA.128.SG g1I8LA.182.SG > bond g1I8LA.19.ND2 g1I8LA.209.C1 > bond g1I8LA.55.ND2 g1I8LA.210.C1 > bond g1I8LA.64.ND2 g1I8LA.211.C1 > bond g1I8LA.152.ND2 g1I8LA.212.C1 > bond g1I8LA.173.ND2 g1I8LA.213.C1 > bond g1I8LA.177.ND2 g1I8LA.214.C1 > bond g1I8LA.192.ND2 g1I8LA.215.C1 > bond g1I8LA.198.ND2 g1I8LA.216.C1 > solvateBox g1I8LA TIP3PBOX 14.0 (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for OT1) (using default radius 1.500000 for OT2) (using default radius 1.500000 for N) (using default radius 1.500000 for C) (using default radius 1.500000 for O) (using default radius 1.500000 for CT) (using default radius 1.500000 for N) (using default radius 1.500000 for C) (using default radius 1.500000 for O) (using default radius 1.500000 for CT) (using default radius 1.500000 for N) (using default radius 1.500000 for C) (using default radius 1.500000 for O) (using default radius 1.500000 for CT) (using default radius 1.500000 for N) (using default radius 1.500000 for C) (using default radius 1.500000 for O) (using default radius 1.500000 for CT) (using default radius 1.500000 for N) (using default radius 1.500000 for C) (using default radius 1.500000 for O) (using default radius 1.500000 for CT) (using default radius 1.500000 for N) (using default radius 1.500000 for C) (using default radius 1.500000 for O) (using default radius 1.500000 for CT) (using default radius 1.500000 for N) (using default radius 1.500000 for C) (using default radius 1.500000 for O) (using default radius 1.500000 for CT) (using default radius 1.500000 for N) (using default radius 1.500000 for C) (using default radius 1.500000 for O) (using default radius 1.500000 for CT) Solute vdw bounding box: 42.906 104.388 45.083 Total bounding box for atom centers: 70.906 132.388 73.083 Solvent unit box: 18.774 18.774 18.774 The number of boxes: x= 4 y= 8 z= 4 Adding box at: x=0 y=0 z=0 Center of solvent box is: 28.161524, 65.710222, 28.161524 Adding box at: x=0 y=0 z=1 Center of solvent box is: 28.161524, 65.710222, 9.387175 Adding box at: x=0 y=0 z=2 Center of solvent box is: 28.161524, 65.710222, -9.387175 Adding box at: x=0 y=0 z=3 Center of solvent box is: 28.161524, 65.710222, -28.161524 Adding box at: x=0 y=1 z=0 Center of solvent box is: 28.161524, 46.935873, 28.161524 Adding box at: x=0 y=1 z=1 Center of solvent box is: 28.161524, 46.935873, 9.387175 Adding box at: x=0 y=1 z=2 Center of solvent box is: 28.161524, 46.935873, -9.387175 Adding box at: x=0 y=1 z=3 Center of solvent box is: 28.161524, 46.935873, -28.161524 Adding box at: x=0 y=2 z=0 Center of solvent box is: 28.161524, 28.161524, 28.161524 Adding box at: x=0 y=2 z=1 Center of solvent box is: 28.161524, 28.161524, 9.387175 Adding box at: x=0 y=2 z=2 Center of solvent box is: 28.161524, 28.161524, -9.387175 Adding box at: x=0 y=2 z=3 Center of solvent box is: 28.161524, 28.161524, -28.161524 Adding box at: x=0 y=3 z=0 Center of solvent box is: 28.161524, 9.387175, 28.161524 Adding box at: x=0 y=3 z=1 Center of solvent box is: 28.161524, 9.387175, 9.387175 Adding box at: x=0 y=3 z=2 Center of solvent box is: 28.161524, 9.387175, -9.387175 Adding box at: x=0 y=3 z=3 Center of solvent box is: 28.161524, 9.387175, -28.161524 Adding box at: x=0 y=4 z=0 Center of solvent box is: 28.161524, -9.387175, 28.161524 Adding box at: x=0 y=4 z=1 Center of solvent box is: 28.161524, -9.387175, 9.387175 Adding box at: x=0 y=4 z=2 Center of solvent box is: 28.161524, -9.387175, -9.387175 Adding box at: x=0 y=4 z=3 Center of solvent box is: 28.161524, -9.387175, -28.161524 Adding box at: x=0 y=5 z=0 Center of solvent box is: 28.161524, -28.161524, 28.161524 Adding box at: x=0 y=5 z=1 Center of solvent box is: 28.161524, -28.161524, 9.387175 Adding box at: x=0 y=5 z=2 Center of solvent box is: 28.161524, -28.161524, -9.387175 Adding box at: x=0 y=5 z=3 Center of solvent box is: 28.161524, -28.161524, -28.161524 Adding box at: x=0 y=6 z=0 Center of solvent box is: 28.161524, -46.935873, 28.161524 Adding box at: x=0 y=6 z=1 Center of solvent box is: 28.161524, -46.935873, 9.387175 Adding box at: x=0 y=6 z=2 Center of solvent box is: 28.161524, -46.935873, -9.387175 Adding box at: x=0 y=6 z=3 Center of solvent box is: 28.161524, -46.935873, -28.161524 Adding box at: x=0 y=7 z=0 Center of solvent box is: 28.161524, -65.710222, 28.161524 Adding box at: x=0 y=7 z=1 Center of solvent box is: 28.161524, -65.710222, 9.387175 Adding box at: x=0 y=7 z=2 Center of solvent box is: 28.161524, -65.710222, -9.387175 Adding box at: x=0 y=7 z=3 Center of solvent box is: 28.161524, -65.710222, -28.161524 Adding box at: x=1 y=0 z=0 Center of solvent box is: 9.387175, 65.710222, 28.161524 Adding box at: x=1 y=0 z=1 Center of solvent box is: 9.387175, 65.710222, 9.387175 Adding box at: x=1 y=0 z=2 Center of solvent box is: 9.387175, 65.710222, -9.387175 Adding box at: x=1 y=0 z=3 Center of solvent box is: 9.387175, 65.710222, -28.161524 Adding box at: x=1 y=1 z=0 Center of solvent box is: 9.387175, 46.935873, 28.161524 Adding box at: x=1 y=1 z=1 Center of solvent box is: 9.387175, 46.935873, 9.387175 Adding box at: x=1 y=1 z=2 Center of solvent box is: 9.387175, 46.935873, -9.387175 Adding box at: x=1 y=1 z=3 Center of solvent box is: 9.387175, 46.935873, -28.161524 Adding box at: x=1 y=2 z=0 Center of solvent box is: 9.387175, 28.161524, 28.161524 Adding box at: x=1 y=2 z=1 Center of solvent box is: 9.387175, 28.161524, 9.387175 Adding box at: x=1 y=2 z=2 Center of solvent box is: 9.387175, 28.161524, -9.387175 Adding box at: x=1 y=2 z=3 Center of solvent box is: 9.387175, 28.161524, -28.161524 Adding box at: x=1 y=3 z=0 Center of solvent box is: 9.387175, 9.387175, 28.161524 Adding box at: x=1 y=3 z=1 Center of solvent box is: 9.387175, 9.387175, 9.387175 Adding box at: x=1 y=3 z=2 Center of solvent box is: 9.387175, 9.387175, -9.387175 Adding box at: x=1 y=3 z=3 Center of solvent box is: 9.387175, 9.387175, -28.161524 Adding box at: x=1 y=4 z=0 Center of solvent box is: 9.387175, -9.387175, 28.161524 Adding box at: x=1 y=4 z=1 Center of solvent box is: 9.387175, -9.387175, 9.387175 Adding box at: x=1 y=4 z=2 Center of solvent box is: 9.387175, -9.387175, -9.387175 Adding box at: x=1 y=4 z=3 Center of solvent box is: 9.387175, -9.387175, -28.161524 Adding box at: x=1 y=5 z=0 Center of solvent box is: 9.387175, -28.161524, 28.161524 Adding box at: x=1 y=5 z=1 Center of solvent box is: 9.387175, -28.161524, 9.387175 Adding box at: x=1 y=5 z=2 Center of solvent box is: 9.387175, -28.161524, -9.387175 Adding box at: x=1 y=5 z=3 Center of solvent box is: 9.387175, -28.161524, -28.161524 Adding box at: x=1 y=6 z=0 Center of solvent box is: 9.387175, -46.935873, 28.161524 Adding box at: x=1 y=6 z=1 Center of solvent box is: 9.387175, -46.935873, 9.387175 Adding box at: x=1 y=6 z=2 Center of solvent box is: 9.387175, -46.935873, -9.387175 Adding box at: x=1 y=6 z=3 Center of solvent box is: 9.387175, -46.935873, -28.161524 Adding box at: x=1 y=7 z=0 Center of solvent box is: 9.387175, -65.710222, 28.161524 Adding box at: x=1 y=7 z=1 Center of solvent box is: 9.387175, -65.710222, 9.387175 Adding box at: x=1 y=7 z=2 Center of solvent box is: 9.387175, -65.710222, -9.387175 Adding box at: x=1 y=7 z=3 Center of solvent box is: 9.387175, -65.710222, -28.161524 Adding box at: x=2 y=0 z=0 Center of solvent box is: -9.387175, 65.710222, 28.161524 Adding box at: x=2 y=0 z=1 Center of solvent box is: -9.387175, 65.710222, 9.387175 Adding box at: x=2 y=0 z=2 Center of solvent box is: -9.387175, 65.710222, -9.387175 Adding box at: x=2 y=0 z=3 Center of solvent box is: -9.387175, 65.710222, -28.161524 Adding box at: x=2 y=1 z=0 Center of solvent box is: -9.387175, 46.935873, 28.161524 Adding box at: x=2 y=1 z=1 Center of solvent box is: -9.387175, 46.935873, 9.387175 Adding box at: x=2 y=1 z=2 Center of solvent box is: -9.387175, 46.935873, -9.387175 Adding box at: x=2 y=1 z=3 Center of solvent box is: -9.387175, 46.935873, -28.161524 Adding box at: x=2 y=2 z=0 Center of solvent box is: -9.387175, 28.161524, 28.161524 Adding box at: x=2 y=2 z=1 Center of solvent box is: -9.387175, 28.161524, 9.387175 Adding box at: x=2 y=2 z=2 Center of solvent box is: -9.387175, 28.161524, -9.387175 Adding box at: x=2 y=2 z=3 Center of solvent box is: -9.387175, 28.161524, -28.161524 Adding box at: x=2 y=3 z=0 Center of solvent box is: -9.387175, 9.387175, 28.161524 Adding box at: x=2 y=3 z=1 Center of solvent box is: -9.387175, 9.387175, 9.387175 Adding box at: x=2 y=3 z=2 Center of solvent box is: -9.387175, 9.387175, -9.387175 Adding box at: x=2 y=3 z=3 Center of solvent box is: -9.387175, 9.387175, -28.161524 Adding box at: x=2 y=4 z=0 Center of solvent box is: -9.387175, -9.387175, 28.161524 Adding box at: x=2 y=4 z=1 Center of solvent box is: -9.387175, -9.387175, 9.387175 Adding box at: x=2 y=4 z=2 Center of solvent box is: -9.387175, -9.387175, -9.387175 Adding box at: x=2 y=4 z=3 Center of solvent box is: -9.387175, -9.387175, -28.161524 Adding box at: x=2 y=5 z=0 Center of solvent box is: -9.387175, -28.161524, 28.161524 Adding box at: x=2 y=5 z=1 Center of solvent box is: -9.387175, -28.161524, 9.387175 Adding box at: x=2 y=5 z=2 Center of solvent box is: -9.387175, -28.161524, -9.387175 Adding box at: x=2 y=5 z=3 Center of solvent box is: -9.387175, -28.161524, -28.161524 Adding box at: x=2 y=6 z=0 Center of solvent box is: -9.387175, -46.935873, 28.161524 Adding box at: x=2 y=6 z=1 Center of solvent box is: -9.387175, -46.935873, 9.387175 Adding box at: x=2 y=6 z=2 Center of solvent box is: -9.387175, -46.935873, -9.387175 Adding box at: x=2 y=6 z=3 Center of solvent box is: -9.387175, -46.935873, -28.161524 Adding box at: x=2 y=7 z=0 Center of solvent box is: -9.387175, -65.710222, 28.161524 Adding box at: x=2 y=7 z=1 Center of solvent box is: -9.387175, -65.710222, 9.387175 Adding box at: x=2 y=7 z=2 Center of solvent box is: -9.387175, -65.710222, -9.387175 Adding box at: x=2 y=7 z=3 Center of solvent box is: -9.387175, -65.710222, -28.161524 Adding box at: x=3 y=0 z=0 Center of solvent box is: -28.161524, 65.710222, 28.161524 Adding box at: x=3 y=0 z=1 Center of solvent box is: -28.161524, 65.710222, 9.387175 Adding box at: x=3 y=0 z=2 Center of solvent box is: -28.161524, 65.710222, -9.387175 Adding box at: x=3 y=0 z=3 Center of solvent box is: -28.161524, 65.710222, -28.161524 Adding box at: x=3 y=1 z=0 Center of solvent box is: -28.161524, 46.935873, 28.161524 Adding box at: x=3 y=1 z=1 Center of solvent box is: -28.161524, 46.935873, 9.387175 Adding box at: x=3 y=1 z=2 Center of solvent box is: -28.161524, 46.935873, -9.387175 Adding box at: x=3 y=1 z=3 Center of solvent box is: -28.161524, 46.935873, -28.161524 Adding box at: x=3 y=2 z=0 Center of solvent box is: -28.161524, 28.161524, 28.161524 Adding box at: x=3 y=2 z=1 Center of solvent box is: -28.161524, 28.161524, 9.387175 Adding box at: x=3 y=2 z=2 Center of solvent box is: -28.161524, 28.161524, -9.387175 Adding box at: x=3 y=2 z=3 Center of solvent box is: -28.161524, 28.161524, -28.161524 Adding box at: x=3 y=3 z=0 Center of solvent box is: -28.161524, 9.387175, 28.161524 Adding box at: x=3 y=3 z=1 Center of solvent box is: -28.161524, 9.387175, 9.387175 Adding box at: x=3 y=3 z=2 Center of solvent box is: -28.161524, 9.387175, -9.387175 Adding box at: x=3 y=3 z=3 Center of solvent box is: -28.161524, 9.387175, -28.161524 Adding box at: x=3 y=4 z=0 Center of solvent box is: -28.161524, -9.387175, 28.161524 Adding box at: x=3 y=4 z=1 Center of solvent box is: -28.161524, -9.387175, 9.387175 Adding box at: x=3 y=4 z=2 Center of solvent box is: -28.161524, -9.387175, -9.387175 Adding box at: x=3 y=4 z=3 Center of solvent box is: -28.161524, -9.387175, -28.161524 Adding box at: x=3 y=5 z=0 Center of solvent box is: -28.161524, -28.161524, 28.161524 Adding box at: x=3 y=5 z=1 Center of solvent box is: -28.161524, -28.161524, 9.387175 Adding box at: x=3 y=5 z=2 Center of solvent box is: -28.161524, -28.161524, -9.387175 Adding box at: x=3 y=5 z=3 Center of solvent box is: -28.161524, -28.161524, -28.161524 Adding box at: x=3 y=6 z=0 Center of solvent box is: -28.161524, -46.935873, 28.161524 Adding box at: x=3 y=6 z=1 Center of solvent box is: -28.161524, -46.935873, 9.387175 Adding box at: x=3 y=6 z=2 Center of solvent box is: -28.161524, -46.935873, -9.387175 Adding box at: x=3 y=6 z=3 Center of solvent box is: -28.161524, -46.935873, -28.161524 Adding box at: x=3 y=7 z=0 Center of solvent box is: -28.161524, -65.710222, 28.161524 Adding box at: x=3 y=7 z=1 Center of solvent box is: -28.161524, -65.710222, 9.387175 Adding box at: x=3 y=7 z=2 Center of solvent box is: -28.161524, -65.710222, -9.387175 Adding box at: x=3 y=7 z=3 Center of solvent box is: -28.161524, -65.710222, -28.161524 (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for HG11) (using default radius 1.500000 for OT1) (using default radius 1.500000 for OT2) (using default radius 1.500000 for N) (using default radius 1.500000 for C) (using default radius 1.500000 for O) (using default radius 1.500000 for CT) (using default radius 1.500000 for N) (using default radius 1.500000 for C) (using default radius 1.500000 for O) (using default radius 1.500000 for CT) (using default radius 1.500000 for N) (using default radius 1.500000 for C) (using default radius 1.500000 for O) (using default radius 1.500000 for CT) (using default radius 1.500000 for N) (using default radius 1.500000 for C) (using default radius 1.500000 for O) (using default radius 1.500000 for CT) (using default radius 1.500000 for N) (using default radius 1.500000 for C) (using default radius 1.500000 for O) (using default radius 1.500000 for CT) (using default radius 1.500000 for N) (using default radius 1.500000 for C) (using default radius 1.500000 for O) (using default radius 1.500000 for CT) (using default radius 1.500000 for N) (using default radius 1.500000 for C) (using default radius 1.500000 for O) (using default radius 1.500000 for CT) (using default radius 1.500000 for N) (using default radius 1.500000 for C) (using default radius 1.500000 for O) (using default radius 1.500000 for CT) Total vdw box size: 74.141 135.500 76.165 angstroms. Volume: 765161.649 A^3 Mass > 386555.338 amu, Density > 0.839 g/cc (type - hence mass - of one or more atoms could not be found) Added 20034 residues. > #addIons g1I8LA Na+ 48 Cl- 42 > #savepdb g1I8LA g1I8LA_leap.pdb > saveAmberParm g1I8LA solvated_g1I8LA.top solvated_g1I8LA.crd Checking Unit. WARNING: There is a bond of 3.164629 angstroms between: ------- .R.A and .R.A WARNING: There is a bond of 3.111201 angstroms between: ------- .R.A and .R.A WARNING: The unperturbed charge of the unit: -8.000000 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. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R<0YB 209>.A does not have a type. FATAL: Atom .R<0YB 209>.A does not have a type. FATAL: Atom .R<0YB 209>.A does not have a type. FATAL: Atom .R<0YB 209>.A does not have a type. FATAL: Atom .R<0YB 209>.A does not have a type. FATAL: Atom .R<0YB 209>.A does not have a type. FATAL: Atom .R<0YB 209>.A does not have a type. FATAL: Atom .R<0YB 209>.A does not have a type. FATAL: Atom .R<0YB 209>.A does not have a type. FATAL: Atom .R<0YB 209>.A does not have a type. FATAL: Atom .R<0YB 209>.A does not have a type. FATAL: Atom .R<0YB 210>.A does not have a type. FATAL: Atom .R<0YB 210>.A does not have a type. FATAL: Atom .R<0YB 210>.A does not have a type. FATAL: Atom .R<0YB 210>.A does not have a type. FATAL: Atom .R<0YB 210>.A does not have a type. FATAL: Atom .R<0YB 210>.A does not have a type. FATAL: Atom .R<0YB 210>.A does not have a type. FATAL: Atom .R<0YB 210>.A does not have a type. FATAL: Atom .R<0YB 210>.A does not have a type. FATAL: Atom .R<0YB 210>.A does not have a type. FATAL: Atom .R<0YB 210>.A does not have a type. FATAL: Atom .R<0YB 211>.A does not have a type. FATAL: Atom .R<0YB 211>.A does not have a type. FATAL: Atom .R<0YB 211>.A does not have a type. FATAL: Atom .R<0YB 211>.A does not have a type. FATAL: Atom .R<0YB 211>.A does not have a type. FATAL: Atom .R<0YB 211>.A does not have a type. FATAL: Atom .R<0YB 211>.A does not have a type. FATAL: Atom .R<0YB 211>.A does not have a type. FATAL: Atom .R<0YB 211>.A does not have a type. FATAL: Atom .R<0YB 211>.A does not have a type. FATAL: Atom .R<0YB 211>.A does not have a type. FATAL: Atom .R<0YB 212>.A does not have a type. FATAL: Atom .R<0YB 212>.A does not have a type. FATAL: Atom .R<0YB 212>.A does not have a type. FATAL: Atom .R<0YB 212>.A does not have a type. FATAL: Atom .R<0YB 212>.A does not have a type. FATAL: Atom .R<0YB 212>.A does not have a type. FATAL: Atom .R<0YB 212>.A does not have a type. FATAL: Atom .R<0YB 212>.A does not have a type. FATAL: Atom .R<0YB 212>.A does not have a type. FATAL: Atom .R<0YB 212>.A does not have a type. FATAL: Atom .R<0YB 212>.A does not have a type. FATAL: Atom .R<0YB 213>.A does not have a type. FATAL: Atom .R<0YB 213>.A does not have a type. FATAL: Atom .R<0YB 213>.A does not have a type. FATAL: Atom .R<0YB 213>.A does not have a type. FATAL: Atom .R<0YB 213>.A does not have a type. FATAL: Atom .R<0YB 213>.A does not have a type. FATAL: Atom .R<0YB 213>.A does not have a type. FATAL: Atom .R<0YB 213>.A does not have a type. FATAL: Atom .R<0YB 213>.A does not have a type. FATAL: Atom .R<0YB 213>.A does not have a type. FATAL: Atom .R<0YB 213>.A does not have a type. FATAL: Atom .R<0YB 214>.A does not have a type. FATAL: Atom .R<0YB 214>.A does not have a type. FATAL: Atom .R<0YB 214>.A does not have a type. FATAL: Atom .R<0YB 214>.A does not have a type. FATAL: Atom .R<0YB 214>.A does not have a type. FATAL: Atom .R<0YB 214>.A does not have a type. FATAL: Atom .R<0YB 214>.A does not have a type. FATAL: Atom .R<0YB 214>.A does not have a type. FATAL: Atom .R<0YB 214>.A does not have a type. FATAL: Atom .R<0YB 214>.A does not have a type. FATAL: Atom .R<0YB 214>.A does not have a type. FATAL: Atom .R<0YB 215>.A does not have a type. FATAL: Atom .R<0YB 215>.A does not have a type. FATAL: Atom .R<0YB 215>.A does not have a type. FATAL: Atom .R<0YB 215>.A does not have a type. FATAL: Atom .R<0YB 215>.A does not have a type. FATAL: Atom .R<0YB 215>.A does not have a type. FATAL: Atom .R<0YB 215>.A does not have a type. FATAL: Atom .R<0YB 215>.A does not have a type. FATAL: Atom .R<0YB 215>.A does not have a type. FATAL: Atom .R<0YB 215>.A does not have a type. FATAL: Atom .R<0YB 215>.A does not have a type. FATAL: Atom .R<0YB 216>.A does not have a type. FATAL: Atom .R<0YB 216>.A does not have a type. FATAL: Atom .R<0YB 216>.A does not have a type. FATAL: Atom .R<0YB 216>.A does not have a type. FATAL: Atom .R<0YB 216>.A does not have a type. FATAL: Atom .R<0YB 216>.A does not have a type. FATAL: Atom .R<0YB 216>.A does not have a type. FATAL: Atom .R<0YB 216>.A does not have a type. FATAL: Atom .R<0YB 216>.A does not have a type. FATAL: Atom .R<0YB 216>.A does not have a type. FATAL: Atom .R<0YB 216>.A does not have a type. Failed to generate parameters Parameter file was not saved. > quit Quit