log started: Mon Jul 15 21:00:39 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: /home/srania/Amber/amber16/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: /home/srania/Amber/amber16/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: /home/srania/Amber/amber16/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: /home/srania/Amber/amber16/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: /home/srania/Amber/amber16/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.gaff2 ----- Source: /home/srania/Amber/amber16/dat/leap/cmd/leaprc.gaff2 ----- Source of /home/srania/Amber/amber16/dat/leap/cmd/leaprc.gaff2 done >> logFile leap.log log started: Mon Jul 15 21:00:39 2019 Log file: ./leap.log >> # >> # ----- leaprc for loading the general Amber Force field. >> # This file is mostly for use with Antechamber >> # >> # load atom type hybridizations >> # >> addAtomTypes { >> { "h1" "H" "sp3" } >> { "h2" "H" "sp3" } >> { "h3" "H" "sp3" } >> { "h4" "H" "sp3" } >> { "h5" "H" "sp3" } >> { "ha" "H" "sp3" } >> { "hc" "H" "sp3" } >> { "hn" "H" "sp3" } >> { "ho" "H" "sp3" } >> { "hp" "H" "sp3" } >> { "hs" "H" "sp3" } >> { "hw" "H" "sp3" } >> { "hx" "H" "sp3" } >> { "o" "O" "sp2" } >> { "o2" "O" "sp2" } >> { "oh" "O" "sp3" } >> { "os" "O" "sp3" } >> { "ow" "O" "sp3" } >> { "c" "C" "sp2" } >> { "c1" "C" "sp2" } >> { "c2" "C" "sp2" } >> { "c3" "C" "sp3" } >> { "ca" "C" "sp2" } >> { "cc" "C" "sp2" } >> { "cd" "C" "sp2" } >> { "ce" "C" "sp2" } >> { "cf" "C" "sp2" } >> { "cg" "C" "sp2" } >> { "ch" "C" "sp2" } >> { "cp" "C" "sp2" } >> { "cs" "C" "sp2" } >> { "cq" "C" "sp2" } >> { "cu" "C" "sp2" } >> { "cv" "C" "sp2" } >> { "cx" "C" "sp2" } >> { "cy" "C" "sp2" } >> { "cz" "C" "sp2" } >> { "n" "N" "sp2" } >> { "n1" "N" "sp2" } >> { "n2" "N" "sp2" } >> { "n3" "N" "sp3" } >> { "n4" "N" "sp3" } >> { "n7" "N" "sp3" } >> { "n8" "N" "sp3" } >> { "n9" "N" "sp3" } >> { "na" "N" "sp2" } >> { "nb" "N" "sp2" } >> { "nc" "N" "sp2" } >> { "nd" "N" "sp2" } >> { "ne" "N" "sp2" } >> { "nf" "N" "sp2" } >> { "nh" "N" "sp2" } >> { "no" "N" "sp2" } >> { "ns" "N" "sp2" } >> { "nt" "N" "sp2" } >> { "nu" "N" "sp2" } >> { "nv" "N" "sp2" } >> { "nx" "N" "sp3" } >> { "ny" "N" "sp3" } >> { "nz" "N" "sp3" } >> { "n+" "N" "sp3" } >> { "s" "S" "sp2" } >> { "s2" "S" "sp2" } >> { "s3" "S" "sp3" } >> { "s4" "S" "sp3" } >> { "s6" "S" "sp3" } >> { "sh" "S" "sp3" } >> { "ss" "S" "sp3" } >> { "sx" "S" "sp3" } >> { "sy" "S" "sp3" } >> { "p2" "P" "sp2" } >> { "p3" "P" "sp3" } >> { "p4" "P" "sp3" } >> { "p5" "P" "sp3" } >> { "pb" "P" "sp3" } >> { "pc" "P" "sp3" } >> { "pd" "P" "sp3" } >> { "pe" "P" "sp3" } >> { "pf" "P" "sp3" } >> { "px" "P" "sp3" } >> { "py" "P" "sp3" } >> { "f" "F" "sp3" } >> { "cl" "Cl" "sp3" } >> { "br" "Br" "sp3" } >> { "i" "I" "sp3" } >> } >> # >> # Load the general force field parameter set. >> # >> gaff = loadamberparams gaff2.dat Loading parameters: /home/srania/Amber/amber16/dat/leap/parm/gaff2.dat Reading title: AMBER General Force Field for organic molecules (Version 2.1, April 2016) > > source leaprc.water.tip3p ----- Source: /home/srania/Amber/amber16/dat/leap/cmd/leaprc.water.tip3p ----- Source of /home/srania/Amber/amber16/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: /home/srania/Amber/amber16/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: /home/srania/Amber/amber16/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: /home/srania/Amber/amber16/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: /home/srania/Amber/amber16/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: /home/srania/Amber/amber16/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) >> > > loadamberprep BG6.prepi Loading Prep file: ./BG6.prepi Loaded UNIT: BG6 > loadamberparams BG6.frcmod Loading parameters: ./BG6.frcmod Reading force field modification type file (frcmod) Reading title: remark goes here > protein = loadpdb Combined_lig.pdb Loading PDB file: ./Combined_lig.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: GLN, Nonterminal, was not found in name map.) (Residue 2: SER, Nonterminal, was not found in name map.) (Residue 3: ASP, Nonterminal, was not found in name map.) (Residue 4: THR, Nonterminal, was not found in name map.) (Residue 5: HIS, Nonterminal, was not found in name map.) (Residue 6: ILE, Nonterminal, was not found in name map.) (Residue 7: PHE, Nonterminal, was not found in name map.) (Residue 8: ILE, Nonterminal, was not found in name map.) (Residue 9: ILE, Nonterminal, was not found in name map.) (Residue 10: MET, Nonterminal, was not found in name map.) (Residue 11: GLY, Nonterminal, was not found in name map.) (Residue 12: ALA, Nonterminal, was not found in name map.) (Residue 13: SER, Nonterminal, was not found in name map.) (Residue 14: GLY, Nonterminal, was not found in name map.) (Residue 15: ASP, Nonterminal, was not found in name map.) (Residue 16: LEU, Nonterminal, was not found in name map.) (Residue 17: ALA, Nonterminal, was not found in name map.) (Residue 18: LYS, Nonterminal, was not found in name map.) (Residue 19: LYS, Nonterminal, was not found in name map.) (Residue 20: LYS, Nonterminal, was not found in name map.) (Residue 21: ILE, Nonterminal, was not found in name map.) (Residue 22: TYR, Nonterminal, was not found in name map.) (Residue 23: PRO, Nonterminal, was not found in name map.) (Residue 24: THR, Nonterminal, was not found in name map.) (Residue 25: ILE, Nonterminal, was not found in name map.) (Residue 26: TRP, Nonterminal, was not found in name map.) (Residue 27: TRP, Nonterminal, was not found in name map.) (Residue 28: LEU, Nonterminal, was not found in name map.) (Residue 29: PHE, Nonterminal, was not found in name map.) (Residue 30: ARG, Nonterminal, was not found in name map.) (Residue 31: ASP, Nonterminal, was not found in name map.) (Residue 32: GLY, Nonterminal, was not found in name map.) (Residue 33: LEU, Nonterminal, was not found in name map.) (Residue 34: LEU, Nonterminal, was not found in name map.) (Residue 35: PRO, Nonterminal, was not found in name map.) (Residue 36: GLU, Nonterminal, was not found in name map.) (Residue 37: ASN, Nonterminal, was not found in name map.) (Residue 38: THR, Nonterminal, was not found in name map.) (Residue 39: PHE, Nonterminal, was not found in name map.) (Residue 40: ILE, Nonterminal, was not found in name map.) (Residue 41: VAL, Nonterminal, was not found in name map.) (Residue 42: GLY, Nonterminal, was not found in name map.) (Residue 43: TYR, Nonterminal, was not found in name map.) (Residue 44: ALA, Nonterminal, was not found in name map.) (Residue 45: ARG, Nonterminal, was not found in name map.) (Residue 46: SER, Nonterminal, was not found in name map.) (Residue 47: ARG, Nonterminal, was not found in name map.) (Residue 48: LEU, Nonterminal, was not found in name map.) (Residue 49: THR, Nonterminal, was not found in name map.) (Residue 50: VAL, Nonterminal, was not found in name map.) (Residue 51: ALA, Nonterminal, was not found in name map.) (Residue 52: ASP, Nonterminal, was not found in name map.) (Residue 53: ILE, Nonterminal, was not found in name map.) (Residue 54: ARG, Nonterminal, was not found in name map.) (Residue 55: LYS, Nonterminal, was not found in name map.) (Residue 56: GLN, Nonterminal, was not found in name map.) (Residue 57: SER, Nonterminal, was not found in name map.) (Residue 58: GLU, Nonterminal, was not found in name map.) (Residue 59: PRO, Nonterminal, was not found in name map.) (Residue 60: PHE, Nonterminal, was not found in name map.) (Residue 61: PHE, Nonterminal, was not found in name map.) (Residue 62: LYS, Nonterminal, was not found in name map.) (Residue 63: ALA, Nonterminal, was not found in name map.) (Residue 64: THR, Nonterminal, was not found in name map.) (Residue 65: PRO, Nonterminal, was not found in name map.) (Residue 66: GLU, Nonterminal, was not found in name map.) (Residue 67: GLU, Nonterminal, was not found in name map.) (Residue 68: LYS, Nonterminal, was not found in name map.) (Residue 69: LEU, Nonterminal, was not found in name map.) (Residue 70: LYS, Nonterminal, was not found in name map.) (Residue 71: LEU, Nonterminal, was not found in name map.) (Residue 72: GLU, Nonterminal, was not found in name map.) (Residue 73: ASP, Nonterminal, was not found in name map.) (Residue 74: PHE, Nonterminal, was not found in name map.) (Residue 75: PHE, Nonterminal, was not found in name map.) (Residue 76: ALA, Nonterminal, was not found in name map.) (Residue 77: ARG, Nonterminal, was not found in name map.) (Residue 78: ASN, Nonterminal, was not found in name map.) (Residue 79: SER, Nonterminal, was not found in name map.) (Residue 80: TYR, Nonterminal, was not found in name map.) (Residue 81: VAL, Nonterminal, was not found in name map.) (Residue 82: ALA, Nonterminal, was not found in name map.) (Residue 83: GLY, Nonterminal, was not found in name map.) (Residue 84: GLN, Nonterminal, was not found in name map.) (Residue 85: TYR, Nonterminal, was not found in name map.) (Residue 86: ASP, Nonterminal, was not found in name map.) (Residue 87: ASP, Nonterminal, was not found in name map.) (Residue 88: ALA, Nonterminal, was not found in name map.) (Residue 89: ALA, Nonterminal, was not found in name map.) (Residue 90: SER, Nonterminal, was not found in name map.) (Residue 91: TYR, Nonterminal, was not found in name map.) (Residue 92: GLN, Nonterminal, was not found in name map.) (Residue 93: ARG, Nonterminal, was not found in name map.) (Residue 94: LEU, Nonterminal, was not found in name map.) (Residue 95: ASN, Nonterminal, was not found in name map.) (Residue 96: SER, Nonterminal, was not found in name map.) (Residue 97: HIS, Nonterminal, was not found in name map.) (Residue 98: MET, Nonterminal, was not found in name map.) (Residue 99: ASN, Nonterminal, was not found in name map.) (Residue 100: ALA, Nonterminal, was not found in name map.) (Residue 101: LEU, Nonterminal, was not found in name map.) (Residue 102: HIS, Nonterminal, was not found in name map.) (Residue 103: LEU, Nonterminal, was not found in name map.) (Residue 104: GLY, Nonterminal, was not found in name map.) (Residue 105: SER, Nonterminal, was not found in name map.) (Residue 106: GLN, Nonterminal, was not found in name map.) (Residue 107: ALA, Nonterminal, was not found in name map.) (Residue 108: ASN, Nonterminal, was not found in name map.) (Residue 109: ARG, Nonterminal, was not found in name map.) (Residue 110: LEU, Nonterminal, was not found in name map.) (Residue 111: PHE, Nonterminal, was not found in name map.) (Residue 112: TYR, Nonterminal, was not found in name map.) (Residue 113: LEU, Nonterminal, was not found in name map.) (Residue 114: ALA, Nonterminal, was not found in name map.) (Residue 115: LEU, Nonterminal, was not found in name map.) (Residue 116: PRO, Nonterminal, was not found in name map.) (Residue 117: PRO, Nonterminal, was not found in name map.) (Residue 118: THR, Nonterminal, was not found in name map.) (Residue 119: VAL, Nonterminal, was not found in name map.) (Residue 120: TYR, Nonterminal, was not found in name map.) (Residue 121: GLU, Nonterminal, was not found in name map.) (Residue 122: ALA, Nonterminal, was not found in name map.) (Residue 123: VAL, Nonterminal, was not found in name map.) (Residue 124: THR, Nonterminal, was not found in name map.) (Residue 125: LYS, Nonterminal, was not found in name map.) (Residue 126: ASN, Nonterminal, was not found in name map.) (Residue 127: ILE, Nonterminal, was not found in name map.) (Residue 128: HIS, Nonterminal, was not found in name map.) (Residue 129: GLU, Nonterminal, was not found in name map.) (Residue 130: SER, Nonterminal, was not found in name map.) (Residue 131: CYS, Nonterminal, was not found in name map.) (Residue 132: MET, Nonterminal, was not found in name map.) (Residue 133: SER, Nonterminal, was not found in name map.) (Residue 134: GLN, Nonterminal, was not found in name map.) (Residue 135: ILE, Nonterminal, was not found in name map.) (Residue 136: GLY, Nonterminal, was not found in name map.) (Residue 137: TRP, Nonterminal, was not found in name map.) (Residue 138: ASN, Nonterminal, was not found in name map.) (Residue 139: ARG, Nonterminal, was not found in name map.) (Residue 140: ILE, Nonterminal, was not found in name map.) (Residue 141: ILE, Nonterminal, was not found in name map.) (Residue 142: VAL, Nonterminal, was not found in name map.) (Residue 143: GLU, Nonterminal, was not found in name map.) (Residue 144: LYS, Nonterminal, was not found in name map.) (Residue 145: PRO, Nonterminal, was not found in name map.) (Residue 146: PHE, Nonterminal, was not found in name map.) (Residue 147: GLY, Nonterminal, was not found in name map.) (Residue 148: ARG, Nonterminal, was not found in name map.) (Residue 149: ASP, Nonterminal, was not found in name map.) (Residue 150: LEU, Nonterminal, was not found in name map.) (Residue 151: GLN, Nonterminal, was not found in name map.) (Residue 152: SER, Nonterminal, was not found in name map.) (Residue 153: SER, Nonterminal, was not found in name map.) (Residue 154: ASP, Nonterminal, was not found in name map.) (Residue 155: ARG, Nonterminal, was not found in name map.) (Residue 156: LEU, Nonterminal, was not found in name map.) (Residue 157: SER, Nonterminal, was not found in name map.) (Residue 158: ASN, Nonterminal, was not found in name map.) (Residue 159: HIS, Nonterminal, was not found in name map.) (Residue 160: ILE, Nonterminal, was not found in name map.) (Residue 161: SER, Nonterminal, was not found in name map.) (Residue 162: SER, Nonterminal, was not found in name map.) (Residue 163: LEU, Nonterminal, was not found in name map.) (Residue 164: PHE, Nonterminal, was not found in name map.) (Residue 165: ARG, Nonterminal, was not found in name map.) (Residue 166: GLU, Nonterminal, was not found in name map.) (Residue 167: ASP, Nonterminal, was not found in name map.) (Residue 168: GLN, Nonterminal, was not found in name map.) (Residue 169: ILE, Nonterminal, was not found in name map.) (Residue 170: TYR, Nonterminal, was not found in name map.) (Residue 171: ARG, Nonterminal, was not found in name map.) (Residue 172: ILE, Nonterminal, was not found in name map.) (Residue 173: ASP, Nonterminal, was not found in name map.) (Residue 174: HIS, Nonterminal, was not found in name map.) (Residue 175: TYR, Nonterminal, was not found in name map.) (Residue 176: LEU, Nonterminal, was not found in name map.) (Residue 177: GLY, Nonterminal, was not found in name map.) (Residue 178: LYS, Nonterminal, was not found in name map.) (Residue 179: GLU, Nonterminal, was not found in name map.) (Residue 180: MET, Nonterminal, was not found in name map.) (Residue 181: VAL, Nonterminal, was not found in name map.) (Residue 182: GLN, Nonterminal, was not found in name map.) (Residue 183: ASN, Nonterminal, was not found in name map.) (Residue 184: LEU, Nonterminal, was not found in name map.) (Residue 185: MET, Nonterminal, was not found in name map.) (Residue 186: VAL, Nonterminal, was not found in name map.) (Residue 187: LEU, Nonterminal, was not found in name map.) (Residue 188: ARG, Nonterminal, was not found in name map.) (Residue 189: PHE, Nonterminal, was not found in name map.) (Residue 190: ALA, Nonterminal, was not found in name map.) (Residue 191: ASN, Nonterminal, was not found in name map.) (Residue 192: ARG, Nonterminal, was not found in name map.) (Residue 193: ILE, Nonterminal, was not found in name map.) (Residue 194: PHE, Nonterminal, was not found in name map.) (Residue 195: GLY, Nonterminal, was not found in name map.) (Residue 196: PRO, Nonterminal, was not found in name map.) (Residue 197: ILE, Nonterminal, was not found in name map.) (Residue 198: TRP, Nonterminal, was not found in name map.) (Residue 199: ASN, Nonterminal, was not found in name map.) (Residue 200: ARG, Nonterminal, was not found in name map.) (Residue 201: ASP, Nonterminal, was not found in name map.) (Residue 202: ASN, Nonterminal, was not found in name map.) (Residue 203: ILE, Nonterminal, was not found in name map.) (Residue 204: ALA, Nonterminal, was not found in name map.) (Residue 205: CYS, Nonterminal, was not found in name map.) (Residue 206: VAL, Nonterminal, was not found in name map.) (Residue 207: ILE, Nonterminal, was not found in name map.) (Residue 208: LEU, Nonterminal, was not found in name map.) (Residue 209: THR, Nonterminal, was not found in name map.) (Residue 210: PHE, Nonterminal, was not found in name map.) (Residue 211: LYS, Nonterminal, was not found in name map.) (Residue 212: GLU, Nonterminal, was not found in name map.) (Residue 213: PRO, Nonterminal, was not found in name map.) (Residue 214: PHE, Nonterminal, was not found in name map.) (Residue 215: GLY, Nonterminal, was not found in name map.) (Residue 216: THR, Nonterminal, was not found in name map.) (Residue 217: GLU, Nonterminal, was not found in name map.) (Residue 218: GLY, Nonterminal, was not found in name map.) (Residue 219: ARG, Nonterminal, was not found in name map.) (Residue 220: GLY, Nonterminal, was not found in name map.) (Residue 221: GLY, Nonterminal, was not found in name map.) (Residue 222: TYR, Nonterminal, was not found in name map.) (Residue 223: PHE, Nonterminal, was not found in name map.) (Residue 224: ASP, Nonterminal, was not found in name map.) (Residue 225: GLU, Nonterminal, was not found in name map.) (Residue 226: PHE, Nonterminal, was not found in name map.) (Residue 227: GLY, Nonterminal, was not found in name map.) (Residue 228: ILE, Nonterminal, was not found in name map.) (Residue 229: ILE, Nonterminal, was not found in name map.) (Residue 230: ARG, Nonterminal, was not found in name map.) (Residue 231: ASP, Nonterminal, was not found in name map.) (Residue 232: VAL, Nonterminal, was not found in name map.) (Residue 233: MET, Nonterminal, was not found in name map.) (Residue 234: GLN, Nonterminal, was not found in name map.) (Residue 235: ASN, Nonterminal, was not found in name map.) (Residue 236: HIS, Nonterminal, was not found in name map.) (Residue 237: LEU, Nonterminal, was not found in name map.) (Residue 238: LEU, Nonterminal, was not found in name map.) (Residue 239: GLN, Nonterminal, was not found in name map.) (Residue 240: MET, Nonterminal, was not found in name map.) (Residue 241: LEU, Nonterminal, was not found in name map.) (Residue 242: CYS, Nonterminal, was not found in name map.) (Residue 243: LEU, Nonterminal, was not found in name map.) (Residue 244: VAL, Nonterminal, was not found in name map.) (Residue 245: ALA, Nonterminal, was not found in name map.) (Residue 246: MET, Nonterminal, was not found in name map.) (Residue 247: GLU, Nonterminal, was not found in name map.) (Residue 248: LYS, Nonterminal, was not found in name map.) (Residue 249: PRO, Nonterminal, was not found in name map.) (Residue 250: ALA, Nonterminal, was not found in name map.) (Residue 251: SER, Nonterminal, was not found in name map.) (Residue 252: THR, Nonterminal, was not found in name map.) (Residue 253: ASN, Nonterminal, was not found in name map.) (Residue 254: SER, Nonterminal, was not found in name map.) (Residue 255: ASP, Nonterminal, was not found in name map.) (Residue 256: ASP, Nonterminal, was not found in name map.) (Residue 257: VAL, Nonterminal, was not found in name map.) (Residue 258: ARG, Nonterminal, was not found in name map.) (Residue 259: ASP, Nonterminal, was not found in name map.) (Residue 260: GLU, Nonterminal, was not found in name map.) (Residue 261: LYS, Nonterminal, was not found in name map.) (Residue 262: VAL, Nonterminal, was not found in name map.) (Residue 263: LYS, Nonterminal, was not found in name map.) (Residue 264: VAL, Nonterminal, was not found in name map.) (Residue 265: LEU, Nonterminal, was not found in name map.) (Residue 266: LYS, Nonterminal, was not found in name map.) (Residue 267: CYS, Nonterminal, was not found in name map.) (Residue 268: ILE, Nonterminal, was not found in name map.) (Residue 269: SER, Nonterminal, was not found in name map.) (Residue 270: GLU, Nonterminal, was not found in name map.) (Residue 271: VAL, Nonterminal, was not found in name map.) (Residue 272: GLN, Nonterminal, was not found in name map.) (Residue 273: ALA, Nonterminal, was not found in name map.) (Residue 274: ASN, Nonterminal, was not found in name map.) (Residue 275: ASN, Nonterminal, was not found in name map.) (Residue 276: VAL, Nonterminal, was not found in name map.) (Residue 277: VAL, Nonterminal, was not found in name map.) (Residue 278: LEU, Nonterminal, was not found in name map.) (Residue 279: GLY, Nonterminal, was not found in name map.) (Residue 280: GLN, Nonterminal, was not found in name map.) (Residue 281: TYR, Nonterminal, was not found in name map.) (Residue 282: VAL, Nonterminal, was not found in name map.) (Residue 283: GLY, Nonterminal, was not found in name map.) (Residue 284: ASN, Nonterminal, was not found in name map.) (Residue 285: PRO, Nonterminal, was not found in name map.) (Residue 286: ASP, Nonterminal, was not found in name map.) (Residue 287: GLY, Nonterminal, was not found in name map.) (Residue 288: GLU, Nonterminal, was not found in name map.) (Residue 289: GLY, Nonterminal, was not found in name map.) (Residue 290: GLU, Nonterminal, was not found in name map.) (Residue 291: ALA, Nonterminal, was not found in name map.) (Residue 292: THR, Nonterminal, was not found in name map.) (Residue 293: LYS, Nonterminal, was not found in name map.) (Residue 294: GLY, Nonterminal, was not found in name map.) (Residue 295: TYR, Nonterminal, was not found in name map.) (Residue 296: LEU, Nonterminal, was not found in name map.) (Residue 297: ASP, Nonterminal, was not found in name map.) (Residue 298: ASP, Nonterminal, was not found in name map.) (Residue 299: PRO, Nonterminal, was not found in name map.) (Residue 300: THR, Nonterminal, was not found in name map.) (Residue 301: VAL, Nonterminal, was not found in name map.) (Residue 302: PRO, Nonterminal, was not found in name map.) (Residue 303: ARG, Nonterminal, was not found in name map.) (Residue 304: GLY, Nonterminal, was not found in name map.) (Residue 305: SER, Nonterminal, was not found in name map.) (Residue 306: THR, Nonterminal, was not found in name map.) (Residue 307: THR, Nonterminal, was not found in name map.) (Residue 308: ALA, Nonterminal, was not found in name map.) (Residue 309: THR, Nonterminal, was not found in name map.) (Residue 310: PHE, Nonterminal, was not found in name map.) (Residue 311: ALA, Nonterminal, was not found in name map.) (Residue 312: ALA, Nonterminal, was not found in name map.) (Residue 313: VAL, Nonterminal, was not found in name map.) (Residue 314: VAL, Nonterminal, was not found in name map.) (Residue 315: LEU, Nonterminal, was not found in name map.) (Residue 316: TYR, Nonterminal, was not found in name map.) (Residue 317: VAL, Nonterminal, was not found in name map.) (Residue 318: GLU, Nonterminal, was not found in name map.) (Residue 319: ASN, Nonterminal, was not found in name map.) (Residue 320: GLU, Nonterminal, was not found in name map.) (Residue 321: ARG, Nonterminal, was not found in name map.) (Residue 322: TRP, Nonterminal, was not found in name map.) (Residue 323: ASP, Nonterminal, was not found in name map.) (Residue 324: GLY, Nonterminal, was not found in name map.) (Residue 325: VAL, Nonterminal, was not found in name map.) (Residue 326: PRO, Nonterminal, was not found in name map.) (Residue 327: PHE, Nonterminal, was not found in name map.) (Residue 328: ILE, Nonterminal, was not found in name map.) (Residue 329: LEU, Nonterminal, was not found in name map.) (Residue 330: ARG, Nonterminal, was not found in name map.) (Residue 331: CYS, Nonterminal, was not found in name map.) (Residue 332: GLY, Nonterminal, was not found in name map.) (Residue 333: LYS, Nonterminal, was not found in name map.) (Residue 334: ALA, Nonterminal, was not found in name map.) (Residue 335: LEU, Nonterminal, was not found in name map.) (Residue 336: ASN, Nonterminal, was not found in name map.) (Residue 337: GLU, Nonterminal, was not found in name map.) (Residue 338: ARG, Nonterminal, was not found in name map.) (Residue 339: LYS, Nonterminal, was not found in name map.) (Residue 340: ALA, Nonterminal, was not found in name map.) (Residue 341: GLU, Nonterminal, was not found in name map.) (Residue 342: VAL, Nonterminal, was not found in name map.) (Residue 343: ARG, Nonterminal, was not found in name map.) (Residue 344: LEU, Nonterminal, was not found in name map.) (Residue 345: GLN, Nonterminal, was not found in name map.) (Residue 346: PHE, Nonterminal, was not found in name map.) (Residue 347: HIS, Nonterminal, was not found in name map.) (Residue 348: ASP, Nonterminal, was not found in name map.) (Residue 349: VAL, Nonterminal, was not found in name map.) (Residue 350: ALA, Nonterminal, was not found in name map.) (Residue 351: GLY, Nonterminal, was not found in name map.) (Residue 352: ASP, Nonterminal, was not found in name map.) (Residue 353: ILE, Nonterminal, was not found in name map.) (Residue 354: PHE, Nonterminal, was not found in name map.) (Residue 355: HIS, Nonterminal, was not found in name map.) (Residue 356: GLN, Nonterminal, was not found in name map.) (Residue 357: GLN, Nonterminal, was not found in name map.) (Residue 358: CYS, Nonterminal, was not found in name map.) (Residue 359: LYS, Nonterminal, was not found in name map.) (Residue 360: ARG, Nonterminal, was not found in name map.) (Residue 361: ASN, Nonterminal, was not found in name map.) (Residue 362: GLU, Nonterminal, was not found in name map.) (Residue 363: LEU, Nonterminal, was not found in name map.) (Residue 364: VAL, Nonterminal, was not found in name map.) (Residue 365: ILE, Nonterminal, was not found in name map.) (Residue 366: ARG, Nonterminal, was not found in name map.) (Residue 367: VAL, Nonterminal, was not found in name map.) (Residue 368: GLN, Nonterminal, was not found in name map.) (Residue 369: PRO, Nonterminal, was not found in name map.) (Residue 370: ASN, Nonterminal, was not found in name map.) (Residue 371: GLU, Nonterminal, was not found in name map.) (Residue 372: ALA, Nonterminal, was not found in name map.) (Residue 373: VAL, Nonterminal, was not found in name map.) (Residue 374: TYR, Nonterminal, was not found in name map.) (Residue 375: THR, Nonterminal, was not found in name map.) (Residue 376: LYS, Nonterminal, was not found in name map.) (Residue 377: MET, Nonterminal, was not found in name map.) (Residue 378: MET, Nonterminal, was not found in name map.) (Residue 379: THR, Nonterminal, was not found in name map.) (Residue 380: LYS, Nonterminal, was not found in name map.) (Residue 381: LYS, Nonterminal, was not found in name map.) (Residue 382: PRO, Nonterminal, was not found in name map.) (Residue 383: GLY, Nonterminal, was not found in name map.) (Residue 384: MET, Nonterminal, was not found in name map.) (Residue 385: PHE, Nonterminal, was not found in name map.) (Residue 386: PHE, Nonterminal, was not found in name map.) (Residue 387: ASN, Nonterminal, was not found in name map.) (Residue 388: PRO, Nonterminal, was not found in name map.) (Residue 389: GLU, Nonterminal, was not found in name map.) (Residue 390: GLU, Nonterminal, was not found in name map.) (Residue 391: SER, Nonterminal, was not found in name map.) (Residue 392: GLU, Nonterminal, was not found in name map.) (Residue 393: LEU, Nonterminal, was not found in name map.) (Residue 394: ASP, Nonterminal, was not found in name map.) (Residue 395: LEU, Nonterminal, was not found in name map.) (Residue 396: THR, Nonterminal, was not found in name map.) (Residue 397: TYR, Nonterminal, was not found in name map.) (Residue 398: GLY, Nonterminal, was not found in name map.) (Residue 399: ASN, Nonterminal, was not found in name map.) (Residue 400: ARG, Nonterminal, was not found in name map.) (Residue 401: TYR, Nonterminal, was not found in name map.) (Residue 402: LYS, Nonterminal, was not found in name map.) (Residue 403: ASN, Nonterminal, was not found in name map.) (Residue 404: VAL, Nonterminal, was not found in name map.) (Residue 405: LYS, Nonterminal, was not found in name map.) (Residue 406: LEU, Nonterminal, was not found in name map.) (Residue 407: PRO, Nonterminal, was not found in name map.) (Residue 408: ASP, Nonterminal, was not found in name map.) (Residue 409: ALA, Nonterminal, was not found in name map.) (Residue 410: TYR, Nonterminal, was not found in name map.) (Residue 411: GLU, Nonterminal, was not found in name map.) (Residue 412: ARG, Nonterminal, was not found in name map.) (Residue 413: LEU, Nonterminal, was not found in name map.) (Residue 414: ILE, Nonterminal, was not found in name map.) (Residue 415: LEU, Nonterminal, was not found in name map.) (Residue 416: ASP, Nonterminal, was not found in name map.) (Residue 417: VAL, Nonterminal, was not found in name map.) (Residue 418: PHE, Nonterminal, was not found in name map.) (Residue 419: CYS, Nonterminal, was not found in name map.) (Residue 420: GLY, Nonterminal, was not found in name map.) (Residue 421: SER, Nonterminal, was not found in name map.) (Residue 422: GLN, Nonterminal, was not found in name map.) (Residue 423: MET, Nonterminal, was not found in name map.) (Residue 424: HIS, Nonterminal, was not found in name map.) (Residue 425: PHE, Nonterminal, was not found in name map.) (Residue 426: VAL, Nonterminal, was not found in name map.) (Residue 427: ARG, Nonterminal, was not found in name map.) (Residue 428: SER, Nonterminal, was not found in name map.) (Residue 429: ASP, Nonterminal, was not found in name map.) (Residue 430: GLU, Nonterminal, was not found in name map.) (Residue 431: LEU, Nonterminal, was not found in name map.) (Residue 432: ARG, Nonterminal, was not found in name map.) (Residue 433: GLU, Nonterminal, was not found in name map.) (Residue 434: ALA, Nonterminal, was not found in name map.) (Residue 435: TRP, Nonterminal, was not found in name map.) (Residue 436: ARG, Nonterminal, was not found in name map.) (Residue 437: ILE, Nonterminal, was not found in name map.) (Residue 438: PHE, Nonterminal, was not found in name map.) (Residue 439: THR, Nonterminal, was not found in name map.) (Residue 440: PRO, Nonterminal, was not found in name map.) (Residue 441: LEU, Nonterminal, was not found in name map.) (Residue 442: LEU, Nonterminal, was not found in name map.) (Residue 443: HIS, Nonterminal, was not found in name map.) (Residue 444: GLN, Nonterminal, was not found in name map.) (Residue 445: ILE, Nonterminal, was not found in name map.) (Residue 446: GLU, Nonterminal, was not found in name map.) (Residue 447: LEU, Nonterminal, was not found in name map.) (Residue 448: GLU, Nonterminal, was not found in name map.) (Residue 449: LYS, Nonterminal, was not found in name map.) (Residue 450: PRO, Nonterminal, was not found in name map.) (Residue 451: LYS, Nonterminal, was not found in name map.) (Residue 452: PRO, Nonterminal, was not found in name map.) (Residue 453: ILE, Nonterminal, was not found in name map.) (Residue 454: PRO, Nonterminal, was not found in name map.) (Residue 455: TYR, Nonterminal, was not found in name map.) (Residue 456: ILE, Nonterminal, was not found in name map.) (Residue 457: TYR, Nonterminal, was not found in name map.) (Residue 458: GLY, Nonterminal, was not found in name map.) (Residue 459: SER, Nonterminal, was not found in name map.) (Residue 460: ARG, Nonterminal, was not found in name map.) (Residue 461: GLY, Nonterminal, was not found in name map.) (Residue 462: PRO, Nonterminal, was not found in name map.) (Residue 463: THR, Nonterminal, was not found in name map.) (Residue 464: GLU, Nonterminal, was not found in name map.) (Residue 465: ALA, Nonterminal, was not found in name map.) (Residue 466: ASP, Nonterminal, was not found in name map.) (Residue 467: GLU, Nonterminal, was not found in name map.) (Residue 468: LEU, Nonterminal, was not found in name map.) (Residue 469: MET, Nonterminal, was not found in name map.) (Residue 470: LYS, Nonterminal, was not found in name map.) (Residue 471: ARG, Nonterminal, was not found in name map.) (Residue 472: VAL, Nonterminal, was not found in name map.) (Residue 473: GLY, Nonterminal, was not found in name map.) (Residue 474: PHE, Nonterminal, was not found in name map.) (Residue 475: GLN, Nonterminal, was not found in name map.) (Residue 476: TYR, Nonterminal, was not found in name map.) (Residue 477: GLU, Nonterminal, was not found in name map.) (Residue 478: GLY, Nonterminal, was not found in name map.) (Residue 479: THR, Nonterminal, was not found in name map.) (Residue 480: TYR, Nonterminal, was not found in name map.) (Residue 481: LYS, Nonterminal, was not found in name map.) (Residue 482: TRP, Nonterminal, was not found in name map.) (Residue 483: VAL, Nonterminal, was not found in name map.) (Residue 484: ASN, Nonterminal, was not found in name map.) (Residue 485: PRO, Nonterminal, was not found in name map.) (Residue 486: HIS, Nonterminal, was not found in name map.) (Residue 487: LYS, Nonterminal, was not found in name map.) Mapped residue LEU, term: Terminal/last, seq. number: 488 to: CLEU. (Residue 489: BG6, Terminal/last, was not found in name map.) Joining NVAL - GLN Joining GLN - SER Joining SER - ASP Joining ASP - THR Joining THR - HIE Joining HIE - ILE Joining ILE - PHE Joining PHE - ILE Joining ILE - ILE Joining ILE - MET Joining MET - GLY Joining GLY - ALA Joining ALA - SER Joining SER - GLY Joining GLY - ASP Joining ASP - LEU Joining LEU - ALA Joining ALA - LYS Joining LYS - LYS Joining LYS - LYS Joining LYS - ILE Joining ILE - TYR Joining TYR - PRO Joining PRO - THR Joining THR - ILE Joining ILE - TRP Joining TRP - TRP Joining TRP - LEU Joining LEU - PHE Joining PHE - ARG Joining ARG - ASP Joining ASP - GLY Joining GLY - LEU Joining LEU - LEU Joining LEU - PRO Joining PRO - GLU Joining GLU - ASN Joining ASN - THR Joining THR - PHE Joining PHE - ILE Joining ILE - VAL Joining VAL - GLY Joining GLY - TYR Joining TYR - ALA Joining ALA - ARG Joining ARG - SER Joining SER - ARG Joining ARG - LEU Joining LEU - THR Joining THR - VAL Joining VAL - ALA Joining ALA - ASP Joining ASP - ILE Joining ILE - ARG Joining ARG - LYS Joining LYS - GLN Joining GLN - SER Joining SER - GLU Joining GLU - PRO Joining PRO - PHE Joining PHE - PHE Joining PHE - LYS Joining LYS - ALA Joining ALA - THR Joining THR - PRO Joining PRO - GLU Joining GLU - GLU Joining GLU - LYS Joining LYS - LEU Joining LEU - LYS Joining LYS - LEU Joining LEU - GLU Joining GLU - ASP Joining ASP - PHE Joining PHE - PHE Joining PHE - ALA Joining ALA - ARG Joining ARG - ASN Joining ASN - SER Joining SER - TYR Joining TYR - VAL Joining VAL - ALA Joining ALA - GLY Joining GLY - GLN Joining GLN - TYR Joining TYR - ASP Joining ASP - ASP Joining ASP - ALA Joining ALA - ALA Joining ALA - SER Joining SER - TYR Joining TYR - GLN Joining GLN - ARG Joining ARG - LEU Joining LEU - ASN Joining ASN - SER Joining SER - HIE Joining HIE - MET Joining MET - ASN Joining ASN - ALA Joining ALA - LEU Joining LEU - HIE Joining HIE - LEU Joining LEU - GLY Joining GLY - SER Joining SER - GLN Joining GLN - ALA Joining ALA - ASN Joining ASN - ARG Joining ARG - LEU Joining LEU - PHE Joining PHE - TYR Joining TYR - LEU Joining LEU - ALA Joining ALA - LEU Joining LEU - PRO Joining PRO - PRO Joining PRO - THR Joining THR - VAL Joining VAL - TYR Joining TYR - GLU Joining GLU - ALA Joining ALA - VAL Joining VAL - THR Joining THR - LYS Joining LYS - ASN Joining ASN - ILE Joining ILE - HIE Joining HIE - GLU Joining GLU - SER Joining SER - CYS Joining CYS - MET Joining MET - SER Joining SER - GLN Joining GLN - ILE Joining ILE - GLY Joining GLY - TRP Joining TRP - ASN Joining ASN - ARG Joining ARG - ILE Joining ILE - ILE Joining ILE - VAL Joining VAL - GLU Joining GLU - LYS Joining LYS - PRO Joining PRO - PHE Joining PHE - GLY Joining GLY - ARG Joining ARG - ASP Joining ASP - LEU Joining LEU - GLN Joining GLN - SER Joining SER - SER Joining SER - ASP Joining ASP - ARG Joining ARG - LEU Joining LEU - SER Joining SER - ASN Joining ASN - HIE Joining HIE - ILE Joining ILE - SER Joining SER - SER Joining SER - LEU Joining LEU - PHE Joining PHE - ARG Joining ARG - GLU Joining GLU - ASP Joining ASP - GLN Joining GLN - ILE Joining ILE - TYR Joining TYR - ARG Joining ARG - ILE Joining ILE - ASP Joining ASP - HIE Joining HIE - TYR Joining TYR - LEU Joining LEU - GLY Joining GLY - LYS Joining LYS - GLU Joining GLU - MET Joining MET - VAL Joining VAL - GLN Joining GLN - ASN Joining ASN - LEU Joining LEU - MET Joining MET - VAL Joining VAL - LEU Joining LEU - ARG Joining ARG - PHE Joining PHE - ALA Joining ALA - ASN Joining ASN - ARG Joining ARG - ILE Joining ILE - PHE Joining PHE - GLY Joining GLY - PRO Joining PRO - ILE Joining ILE - TRP Joining TRP - ASN Joining ASN - ARG Joining ARG - ASP Joining ASP - ASN Joining ASN - ILE Joining ILE - ALA Joining ALA - CYS Joining CYS - VAL Joining VAL - ILE Joining ILE - LEU Joining LEU - THR Joining THR - PHE Joining PHE - LYS Joining LYS - GLU Joining GLU - PRO Joining PRO - PHE Joining PHE - GLY Joining GLY - THR Joining THR - GLU Joining GLU - GLY Joining GLY - ARG Joining ARG - GLY Joining GLY - GLY Joining GLY - TYR Joining TYR - PHE Joining PHE - ASP Joining ASP - GLU Joining GLU - PHE Joining PHE - GLY Joining GLY - ILE Joining ILE - ILE Joining ILE - ARG Joining ARG - ASP Joining ASP - VAL Joining VAL - MET Joining MET - GLN Joining GLN - ASN Joining ASN - HIE Joining HIE - LEU Joining LEU - LEU Joining LEU - GLN Joining GLN - MET Joining MET - LEU Joining LEU - CYS Joining CYS - LEU Joining LEU - VAL Joining VAL - ALA Joining ALA - MET Joining MET - GLU Joining GLU - LYS Joining LYS - PRO Joining PRO - ALA Joining ALA - SER Joining SER - THR Joining THR - ASN Joining ASN - SER Joining SER - ASP Joining ASP - ASP Joining ASP - VAL Joining VAL - ARG Joining ARG - ASP Joining ASP - GLU Joining GLU - LYS Joining LYS - VAL Joining VAL - LYS Joining LYS - VAL Joining VAL - LEU Joining LEU - LYS Joining LYS - CYS Joining CYS - ILE Joining ILE - SER Joining SER - GLU Joining GLU - VAL Joining VAL - GLN Joining GLN - ALA Joining ALA - ASN Joining ASN - ASN Joining ASN - VAL Joining VAL - VAL Joining VAL - LEU Joining LEU - GLY Joining GLY - GLN Joining GLN - TYR Joining TYR - VAL Joining VAL - GLY Joining GLY - ASN Joining ASN - PRO Joining PRO - ASP Joining ASP - GLY Joining GLY - GLU Joining GLU - GLY Joining GLY - GLU Joining GLU - ALA Joining ALA - THR Joining THR - LYS Joining LYS - GLY Joining GLY - TYR Joining TYR - LEU Joining LEU - ASP Joining ASP - ASP Joining ASP - PRO Joining PRO - THR Joining THR - VAL Joining VAL - PRO Joining PRO - ARG Joining ARG - GLY Joining GLY - SER Joining SER - THR Joining THR - THR Joining THR - ALA Joining ALA - THR Joining THR - PHE Joining PHE - ALA Joining ALA - ALA Joining ALA - VAL Joining VAL - VAL Joining VAL - LEU Joining LEU - TYR Joining TYR - VAL Joining VAL - GLU Joining GLU - ASN Joining ASN - GLU Joining GLU - ARG Joining ARG - TRP Joining TRP - ASP Joining ASP - GLY Joining GLY - VAL Joining VAL - PRO Joining PRO - PHE Joining PHE - ILE Joining ILE - LEU Joining LEU - ARG Joining ARG - CYS Joining CYS - GLY Joining GLY - LYS Joining LYS - ALA Joining ALA - LEU Joining LEU - ASN Joining ASN - GLU Joining GLU - ARG Joining ARG - LYS Joining LYS - ALA Joining ALA - GLU Joining GLU - VAL Joining VAL - ARG Joining ARG - LEU Joining LEU - GLN Joining GLN - PHE Joining PHE - HIE Joining HIE - ASP Joining ASP - VAL Joining VAL - ALA Joining ALA - GLY Joining GLY - ASP Joining ASP - ILE Joining ILE - PHE Joining PHE - HIE Joining HIE - GLN Joining GLN - GLN Joining GLN - CYS Joining CYS - LYS Joining LYS - ARG Joining ARG - ASN Joining ASN - GLU Joining GLU - LEU Joining LEU - VAL Joining VAL - ILE Joining ILE - ARG Joining ARG - VAL Joining VAL - GLN Joining GLN - PRO Joining PRO - ASN Joining ASN - GLU Joining GLU - ALA Joining ALA - VAL Joining VAL - TYR Joining TYR - THR Joining THR - LYS Joining LYS - MET Joining MET - MET Joining MET - THR Joining THR - LYS Joining LYS - LYS Joining LYS - PRO Joining PRO - GLY Joining GLY - MET Joining MET - PHE Joining PHE - PHE Joining PHE - ASN Joining ASN - PRO Joining PRO - GLU Joining GLU - GLU Joining GLU - SER Joining SER - GLU Joining GLU - LEU Joining LEU - ASP Joining ASP - LEU Joining LEU - THR Joining THR - TYR Joining TYR - GLY Joining GLY - ASN Joining ASN - ARG Joining ARG - TYR Joining TYR - LYS Joining LYS - ASN Joining ASN - VAL Joining VAL - LYS Joining LYS - LEU Joining LEU - PRO Joining PRO - ASP Joining ASP - ALA Joining ALA - TYR Joining TYR - GLU Joining GLU - ARG Joining ARG - LEU Joining LEU - ILE Joining ILE - LEU Joining LEU - ASP Joining ASP - VAL Joining VAL - PHE Joining PHE - CYS Joining CYS - GLY Joining GLY - SER Joining SER - GLN Joining GLN - MET Joining MET - HIE Joining HIE - PHE Joining PHE - VAL Joining VAL - ARG Joining ARG - SER Joining SER - ASP Joining ASP - GLU Joining GLU - LEU Joining LEU - ARG Joining ARG - GLU Joining GLU - ALA Joining ALA - TRP Joining TRP - ARG Joining ARG - ILE Joining ILE - PHE Joining PHE - THR Joining THR - PRO Joining PRO - LEU Joining LEU - LEU Joining LEU - HIE Joining HIE - GLN Joining GLN - ILE Joining ILE - GLU Joining GLU - LEU Joining LEU - GLU Joining GLU - LYS Joining LYS - PRO Joining PRO - LYS Joining LYS - PRO Joining PRO - ILE Joining ILE - PRO Joining PRO - TYR Joining TYR - ILE Joining ILE - TYR Joining TYR - GLY Joining GLY - SER Joining SER - ARG Joining ARG - GLY Joining GLY - PRO Joining PRO - THR Joining THR - GLU Joining GLU - ALA Joining ALA - ASP Joining ASP - GLU Joining GLU - LEU Joining LEU - MET Joining MET - LYS Joining LYS - ARG Joining ARG - VAL Joining VAL - GLY Joining GLY - PHE Joining PHE - GLN Joining GLN - TYR Joining TYR - GLU Joining GLU - GLY Joining GLY - THR Joining THR - TYR Joining TYR - LYS Joining LYS - TRP Joining TRP - VAL Joining VAL - ASN Joining ASN - PRO Joining PRO - HIE Joining HIE - LYS Joining LYS - CLEU total atoms in file: 3998 Leap added 3922 missing atoms according to residue templates: 3922 H / lone pairs > check protein Checking 'protein'.... WARNING: The unperturbed charge of the unit: -3.999999 is not zero. Warning: Close contact of 1.285552 angstroms between .R.A

and .R.A Warning: Close contact of 1.469967 angstroms between .R.A and .R.A Warning: Close contact of 1.475518 angstroms between .R.A and .R.A Warning: Close contact of 1.089533 angstroms between .R.A and .R.A Warning: Close contact of 1.340599 angstroms between .R.A and .R.A Warning: Close contact of 1.470486 angstroms between .R.A and .R.A Warning: Close contact of 1.404432 angstroms between .R.A and .R.A Warning: Close contact of 1.483634 angstroms between .R.A and .R.A Warning: Close contact of 1.465392 angstroms between .R.A and .R.A Warning: Close contact of 1.362380 angstroms between .R.A and .R.A Warning: Close contact of 1.409726 angstroms between .R.A and .R.A Warning: Close contact of 1.372477 angstroms between .R.A and .R.A Warning: Close contact of 1.477970 angstroms between .R.A and .R.A Warning: Close contact of 1.352249 angstroms between .R.A and .R.A Warning: Close contact of 1.145831 angstroms between .R.A and .R.A Warning: Close contact of 1.270782 angstroms between .R.A and .R.A Warning: Close contact of 1.454106 angstroms between .R.A and .R.A Warning: Close contact of 0.970063 angstroms between .R.A and .R.A Warning: Close contact of 1.184614 angstroms between .R.A and .R.A Warning: Close contact of 1.409402 angstroms between .R.A and .R.A Warning: Close contact of 1.001470 angstroms between .R.A and .R.A Warning: Close contact of 1.373758 angstroms between .R.A and .R.A Warning: Close contact of 1.266616 angstroms between .R.A and .R.A Warning: Close contact of 1.242496 angstroms between .R.A and .R.A Warning: Close contact of 1.267425 angstroms between .R.A and .R.A Warning: Close contact of 1.397648 angstroms between .R.A and .R.A Warning: Close contact of 1.304749 angstroms between .R.A and .R.A Warning: Close contact of 1.247241 angstroms between .R.A and .R.A Warning: Close contact of 1.448188 angstroms between .R.A and .R.A Warning: Close contact of 1.317728 angstroms between .R.A and .R.A Checking parameters for unit 'protein'. Checking for bond parameters. Checking for angle parameters. check: Warnings: 31 Unit is OK. > solvateBox protein TIP3PBOX 14.0 iso Solute vdw bounding box: 65.160 154.943 70.777 Total bounding box for atom centers: 182.943 182.943 182.943 (box expansion for 'iso' is 263.7%) Solvent unit box: 18.774 18.774 18.774 The number of boxes: x=10 y=10 z=10 Adding box at: x=0 y=0 z=0 Center of solvent box is: 84.484571, 84.484571, 84.484571 Adding box at: x=0 y=0 z=1 Center of solvent box is: 84.484571, 84.484571, 65.710222 Adding box at: x=0 y=0 z=2 Center of solvent box is: 84.484571, 84.484571, 46.935873 Adding box at: x=0 y=0 z=3 Center of solvent box is: 84.484571, 84.484571, 28.161524 Adding box at: x=0 y=0 z=4 Center of solvent box is: 84.484571, 84.484571, 9.387175 Adding box at: x=0 y=0 z=5 Center of solvent box is: 84.484571, 84.484571, -9.387175 Adding box at: x=0 y=0 z=6 Center of solvent box is: 84.484571, 84.484571, -28.161524 Adding box at: x=0 y=0 z=7 Center of solvent box is: 84.484571, 84.484571, -46.935873 Adding box at: x=0 y=0 z=8 Center of solvent box is: 84.484571, 84.484571, -65.710222 Adding box at: x=0 y=0 z=9 Center of solvent box is: 84.484571, 84.484571, -84.484571 Adding box at: x=0 y=1 z=0 Center of solvent box is: 84.484571, 65.710222, 84.484571 Adding box at: x=0 y=1 z=1 Center of solvent box is: 84.484571, 65.710222, 65.710222 Adding box at: x=0 y=1 z=2 Center of solvent box is: 84.484571, 65.710222, 46.935873 Adding box at: x=0 y=1 z=3 Center of solvent box is: 84.484571, 65.710222, 28.161524 Adding box at: x=0 y=1 z=4 Center of solvent box is: 84.484571, 65.710222, 9.387175 Adding box at: x=0 y=1 z=5 Center of solvent box is: 84.484571, 65.710222, -9.387175 Adding box at: x=0 y=1 z=6 Center of solvent box is: 84.484571, 65.710222, -28.161524 Adding box at: x=0 y=1 z=7 Center of solvent box is: 84.484571, 65.710222, -46.935873 Adding box at: x=0 y=1 z=8 Center of solvent box is: 84.484571, 65.710222, -65.710222 Adding box at: x=0 y=1 z=9 Center of solvent box is: 84.484571, 65.710222, -84.484571 Adding box at: x=0 y=2 z=0 Center of solvent box is: 84.484571, 46.935873, 84.484571 Adding box at: x=0 y=2 z=1 Center of solvent box is: 84.484571, 46.935873, 65.710222 Adding box at: x=0 y=2 z=2 Center of solvent box is: 84.484571, 46.935873, 46.935873 Adding box at: x=0 y=2 z=3 Center of solvent box is: 84.484571, 46.935873, 28.161524 Adding box at: x=0 y=2 z=4 Center of solvent box is: 84.484571, 46.935873, 9.387175 Adding box at: x=0 y=2 z=5 Center of solvent box is: 84.484571, 46.935873, -9.387175 Adding box at: x=0 y=2 z=6 Center of solvent box is: 84.484571, 46.935873, -28.161524 Adding box at: x=0 y=2 z=7 Center of solvent box is: 84.484571, 46.935873, -46.935873 Adding box at: x=0 y=2 z=8 Center of solvent box is: 84.484571, 46.935873, -65.710222 Adding box at: x=0 y=2 z=9 Center of solvent box is: 84.484571, 46.935873, -84.484571 Adding box at: x=0 y=3 z=0 Center of solvent box is: 84.484571, 28.161524, 84.484571 Adding box at: x=0 y=3 z=1 Center of solvent box is: 84.484571, 28.161524, 65.710222 Adding box at: x=0 y=3 z=2 Center of solvent box is: 84.484571, 28.161524, 46.935873 Adding box at: x=0 y=3 z=3 Center of solvent box is: 84.484571, 28.161524, 28.161524 Adding box at: x=0 y=3 z=4 Center of solvent box is: 84.484571, 28.161524, 9.387175 Adding box at: x=0 y=3 z=5 Center of solvent box is: 84.484571, 28.161524, -9.387175 Adding box at: x=0 y=3 z=6 Center of solvent box is: 84.484571, 28.161524, -28.161524 Adding box at: x=0 y=3 z=7 Center of solvent box is: 84.484571, 28.161524, -46.935873 Adding box at: x=0 y=3 z=8 Center of solvent box is: 84.484571, 28.161524, -65.710222 Adding box at: x=0 y=3 z=9 Center of solvent box is: 84.484571, 28.161524, -84.484571 Adding box at: x=0 y=4 z=0 Center of solvent box is: 84.484571, 9.387175, 84.484571 Adding box at: x=0 y=4 z=1 Center of solvent box is: 84.484571, 9.387175, 65.710222 Adding box at: x=0 y=4 z=2 Center of solvent box is: 84.484571, 9.387175, 46.935873 Adding box at: x=0 y=4 z=3 Center of solvent box is: 84.484571, 9.387175, 28.161524 Adding box at: x=0 y=4 z=4 Center of solvent box is: 84.484571, 9.387175, 9.387175 Adding box at: x=0 y=4 z=5 Center of solvent box is: 84.484571, 9.387175, -9.387175 Adding box at: x=0 y=4 z=6 Center of solvent box is: 84.484571, 9.387175, -28.161524 Adding box at: x=0 y=4 z=7 Center of solvent box is: 84.484571, 9.387175, -46.935873 Adding box at: x=0 y=4 z=8 Center of solvent box is: 84.484571, 9.387175, -65.710222 Adding box at: x=0 y=4 z=9 Center of solvent box is: 84.484571, 9.387175, -84.484571 Adding box at: x=0 y=5 z=0 Center of solvent box is: 84.484571, -9.387175, 84.484571 Adding box at: x=0 y=5 z=1 Center of solvent box is: 84.484571, -9.387175, 65.710222 Adding box at: x=0 y=5 z=2 Center of solvent box is: 84.484571, -9.387175, 46.935873 Adding box at: x=0 y=5 z=3 Center of solvent box is: 84.484571, -9.387175, 28.161524 Adding box at: x=0 y=5 z=4 Center of solvent box is: 84.484571, -9.387175, 9.387175 Adding box at: x=0 y=5 z=5 Center of solvent box is: 84.484571, -9.387175, -9.387175 Adding box at: x=0 y=5 z=6 Center of solvent box is: 84.484571, -9.387175, -28.161524 Adding box at: x=0 y=5 z=7 Center of solvent box is: 84.484571, -9.387175, -46.935873 Adding box at: x=0 y=5 z=8 Center of solvent box is: 84.484571, -9.387175, -65.710222 Adding box at: x=0 y=5 z=9 Center of solvent box is: 84.484571, -9.387175, -84.484571 Adding box at: x=0 y=6 z=0 Center of solvent box is: 84.484571, -28.161524, 84.484571 Adding box at: x=0 y=6 z=1 Center of solvent box is: 84.484571, -28.161524, 65.710222 Adding box at: x=0 y=6 z=2 Center of solvent box is: 84.484571, -28.161524, 46.935873 Adding box at: x=0 y=6 z=3 Center of solvent box is: 84.484571, -28.161524, 28.161524 Adding box at: x=0 y=6 z=4 Center of solvent box is: 84.484571, -28.161524, 9.387175 Adding box at: x=0 y=6 z=5 Center of solvent box is: 84.484571, -28.161524, -9.387175 Adding box at: x=0 y=6 z=6 Center of solvent box is: 84.484571, -28.161524, -28.161524 Adding box at: x=0 y=6 z=7 Center of solvent box is: 84.484571, -28.161524, -46.935873 Adding box at: x=0 y=6 z=8 Center of solvent box is: 84.484571, -28.161524, -65.710222 Adding box at: x=0 y=6 z=9 Center of solvent box is: 84.484571, -28.161524, -84.484571 Adding box at: x=0 y=7 z=0 Center of solvent box is: 84.484571, -46.935873, 84.484571 Adding box at: x=0 y=7 z=1 Center of solvent box is: 84.484571, -46.935873, 65.710222 Adding box at: x=0 y=7 z=2 Center of solvent box is: 84.484571, -46.935873, 46.935873 Adding box at: x=0 y=7 z=3 Center of solvent box is: 84.484571, -46.935873, 28.161524 Adding box at: x=0 y=7 z=4 Center of solvent box is: 84.484571, -46.935873, 9.387175 Adding box at: x=0 y=7 z=5 Center of solvent box is: 84.484571, -46.935873, -9.387175 Adding box at: x=0 y=7 z=6 Center of solvent box is: 84.484571, -46.935873, -28.161524 Adding box at: x=0 y=7 z=7 Center of solvent box is: 84.484571, -46.935873, -46.935873 Adding box at: x=0 y=7 z=8 Center of solvent box is: 84.484571, -46.935873, -65.710222 Adding box at: x=0 y=7 z=9 Center of solvent box is: 84.484571, -46.935873, -84.484571 Adding box at: x=0 y=8 z=0 Center of solvent box is: 84.484571, -65.710222, 84.484571 Adding box at: x=0 y=8 z=1 Center of solvent box is: 84.484571, -65.710222, 65.710222 Adding box at: x=0 y=8 z=2 Center of solvent box is: 84.484571, -65.710222, 46.935873 Adding box at: x=0 y=8 z=3 Center of solvent box is: 84.484571, -65.710222, 28.161524 Adding box at: x=0 y=8 z=4 Center of solvent box is: 84.484571, -65.710222, 9.387175 Adding box at: x=0 y=8 z=5 Center of solvent box is: 84.484571, -65.710222, -9.387175 Adding box at: x=0 y=8 z=6 Center of solvent box is: 84.484571, -65.710222, -28.161524 Adding box at: x=0 y=8 z=7 Center of solvent box is: 84.484571, -65.710222, -46.935873 Adding box at: x=0 y=8 z=8 Center of solvent box is: 84.484571, -65.710222, -65.710222 Adding box at: x=0 y=8 z=9 Center of solvent box is: 84.484571, -65.710222, -84.484571 Adding box at: x=0 y=9 z=0 Center of solvent box is: 84.484571, -84.484571, 84.484571 Adding box at: x=0 y=9 z=1 Center of solvent box is: 84.484571, -84.484571, 65.710222 Adding box at: x=0 y=9 z=2 Center of solvent box is: 84.484571, -84.484571, 46.935873 Adding box at: x=0 y=9 z=3 Center of solvent box is: 84.484571, -84.484571, 28.161524 Adding box at: x=0 y=9 z=4 Center of solvent box is: 84.484571, -84.484571, 9.387175 Adding box at: x=0 y=9 z=5 Center of solvent box is: 84.484571, -84.484571, -9.387175 Adding box at: x=0 y=9 z=6 Center of solvent box is: 84.484571, -84.484571, -28.161524 Adding box at: x=0 y=9 z=7 Center of solvent box is: 84.484571, -84.484571, -46.935873 Adding box at: x=0 y=9 z=8 Center of solvent box is: 84.484571, -84.484571, -65.710222 Adding box at: x=0 y=9 z=9 Center of solvent box is: 84.484571, -84.484571, -84.484571 Adding box at: x=1 y=0 z=0 Center of solvent box is: 65.710222, 84.484571, 84.484571 Adding box at: x=1 y=0 z=1 Center of solvent box is: 65.710222, 84.484571, 65.710222 Adding box at: x=1 y=0 z=2 Center of solvent box is: 65.710222, 84.484571, 46.935873 Adding box at: x=1 y=0 z=3 Center of solvent box is: 65.710222, 84.484571, 28.161524 Adding box at: x=1 y=0 z=4 Center of solvent box is: 65.710222, 84.484571, 9.387175 Adding box at: x=1 y=0 z=5 Center of solvent box is: 65.710222, 84.484571, -9.387175 Adding box at: x=1 y=0 z=6 Center of solvent box is: 65.710222, 84.484571, -28.161524 Adding box at: x=1 y=0 z=7 Center of solvent box is: 65.710222, 84.484571, -46.935873 Adding box at: x=1 y=0 z=8 Center of solvent box is: 65.710222, 84.484571, -65.710222 Adding box at: x=1 y=0 z=9 Center of solvent box is: 65.710222, 84.484571, -84.484571 Adding box at: x=1 y=1 z=0 Center of solvent box is: 65.710222, 65.710222, 84.484571 Adding box at: x=1 y=1 z=1 Center of solvent box is: 65.710222, 65.710222, 65.710222 Adding box at: x=1 y=1 z=2 Center of solvent box is: 65.710222, 65.710222, 46.935873 Adding box at: x=1 y=1 z=3 Center of solvent box is: 65.710222, 65.710222, 28.161524 Adding box at: x=1 y=1 z=4 Center of solvent box is: 65.710222, 65.710222, 9.387175 Adding box at: x=1 y=1 z=5 Center of solvent box is: 65.710222, 65.710222, -9.387175 Adding box at: x=1 y=1 z=6 Center of solvent box is: 65.710222, 65.710222, -28.161524 Adding box at: x=1 y=1 z=7 Center of solvent box is: 65.710222, 65.710222, -46.935873 Adding box at: x=1 y=1 z=8 Center of solvent box is: 65.710222, 65.710222, -65.710222 Adding box at: x=1 y=1 z=9 Center of solvent box is: 65.710222, 65.710222, -84.484571 Adding box at: x=1 y=2 z=0 Center of solvent box is: 65.710222, 46.935873, 84.484571 Adding box at: x=1 y=2 z=1 Center of solvent box is: 65.710222, 46.935873, 65.710222 Adding box at: x=1 y=2 z=2 Center of solvent box is: 65.710222, 46.935873, 46.935873 Adding box at: x=1 y=2 z=3 Center of solvent box is: 65.710222, 46.935873, 28.161524 Adding box at: x=1 y=2 z=4 Center of solvent box is: 65.710222, 46.935873, 9.387175 Adding box at: x=1 y=2 z=5 Center of solvent box is: 65.710222, 46.935873, -9.387175 Adding box at: x=1 y=2 z=6 Center of solvent box is: 65.710222, 46.935873, -28.161524 Adding box at: x=1 y=2 z=7 Center of solvent box is: 65.710222, 46.935873, -46.935873 Adding box at: x=1 y=2 z=8 Center of solvent box is: 65.710222, 46.935873, -65.710222 Adding box at: x=1 y=2 z=9 Center of solvent box is: 65.710222, 46.935873, -84.484571 Adding box at: x=1 y=3 z=0 Center of solvent box is: 65.710222, 28.161524, 84.484571 Adding box at: x=1 y=3 z=1 Center of solvent box is: 65.710222, 28.161524, 65.710222 Adding box at: x=1 y=3 z=2 Center of solvent box is: 65.710222, 28.161524, 46.935873 Adding box at: x=1 y=3 z=3 Center of solvent box is: 65.710222, 28.161524, 28.161524 Adding box at: x=1 y=3 z=4 Center of solvent box is: 65.710222, 28.161524, 9.387175 Adding box at: x=1 y=3 z=5 Center of solvent box is: 65.710222, 28.161524, -9.387175 Adding box at: x=1 y=3 z=6 Center of solvent box is: 65.710222, 28.161524, -28.161524 Adding box at: x=1 y=3 z=7 Center of solvent box is: 65.710222, 28.161524, -46.935873 Adding box at: x=1 y=3 z=8 Center of solvent box is: 65.710222, 28.161524, -65.710222 Adding box at: x=1 y=3 z=9 Center of solvent box is: 65.710222, 28.161524, -84.484571 Adding box at: x=1 y=4 z=0 Center of solvent box is: 65.710222, 9.387175, 84.484571 Adding box at: x=1 y=4 z=1 Center of solvent box is: 65.710222, 9.387175, 65.710222 Adding box at: x=1 y=4 z=2 Center of solvent box is: 65.710222, 9.387175, 46.935873 Adding box at: x=1 y=4 z=3 Center of solvent box is: 65.710222, 9.387175, 28.161524 Adding box at: x=1 y=4 z=4 Center of solvent box is: 65.710222, 9.387175, 9.387175 Adding box at: x=1 y=4 z=5 Center of solvent box is: 65.710222, 9.387175, -9.387175 Adding box at: x=1 y=4 z=6 Center of solvent box is: 65.710222, 9.387175, -28.161524 Adding box at: x=1 y=4 z=7 Center of solvent box is: 65.710222, 9.387175, -46.935873 Adding box at: x=1 y=4 z=8 Center of solvent box is: 65.710222, 9.387175, -65.710222 Adding box at: x=1 y=4 z=9 Center of solvent box is: 65.710222, 9.387175, -84.484571 Adding box at: x=1 y=5 z=0 Center of solvent box is: 65.710222, -9.387175, 84.484571 Adding box at: x=1 y=5 z=1 Center of solvent box is: 65.710222, -9.387175, 65.710222 Adding box at: x=1 y=5 z=2 Center of solvent box is: 65.710222, -9.387175, 46.935873 Adding box at: x=1 y=5 z=3 Center of solvent box is: 65.710222, -9.387175, 28.161524 Adding box at: x=1 y=5 z=4 Center of solvent box is: 65.710222, -9.387175, 9.387175 Adding box at: x=1 y=5 z=5 Center of solvent box is: 65.710222, -9.387175, -9.387175 Adding box at: x=1 y=5 z=6 Center of solvent box is: 65.710222, -9.387175, -28.161524 Adding box at: x=1 y=5 z=7 Center of solvent box is: 65.710222, -9.387175, -46.935873 Adding box at: x=1 y=5 z=8 Center of solvent box is: 65.710222, -9.387175, -65.710222 Adding box at: x=1 y=5 z=9 Center of solvent box is: 65.710222, -9.387175, -84.484571 Adding box at: x=1 y=6 z=0 Center of solvent box is: 65.710222, -28.161524, 84.484571 Adding box at: x=1 y=6 z=1 Center of solvent box is: 65.710222, -28.161524, 65.710222 Adding box at: x=1 y=6 z=2 Center of solvent box is: 65.710222, -28.161524, 46.935873 Adding box at: x=1 y=6 z=3 Center of solvent box is: 65.710222, -28.161524, 28.161524 Adding box at: x=1 y=6 z=4 Center of solvent box is: 65.710222, -28.161524, 9.387175 Adding box at: x=1 y=6 z=5 Center of solvent box is: 65.710222, -28.161524, -9.387175 Adding box at: x=1 y=6 z=6 Center of solvent box is: 65.710222, -28.161524, -28.161524 Adding box at: x=1 y=6 z=7 Center of solvent box is: 65.710222, -28.161524, -46.935873 Adding box at: x=1 y=6 z=8 Center of solvent box is: 65.710222, -28.161524, -65.710222 Adding box at: x=1 y=6 z=9 Center of solvent box is: 65.710222, -28.161524, -84.484571 Adding box at: x=1 y=7 z=0 Center of solvent box is: 65.710222, -46.935873, 84.484571 Adding box at: x=1 y=7 z=1 Center of solvent box is: 65.710222, -46.935873, 65.710222 Adding box at: x=1 y=7 z=2 Center of solvent box is: 65.710222, -46.935873, 46.935873 Adding box at: x=1 y=7 z=3 Center of solvent box is: 65.710222, -46.935873, 28.161524 Adding box at: x=1 y=7 z=4 Center of solvent box is: 65.710222, -46.935873, 9.387175 Adding box at: x=1 y=7 z=5 Center of solvent box is: 65.710222, -46.935873, -9.387175 Adding box at: x=1 y=7 z=6 Center of solvent box is: 65.710222, -46.935873, -28.161524 Adding box at: x=1 y=7 z=7 Center of solvent box is: 65.710222, -46.935873, -46.935873 Adding box at: x=1 y=7 z=8 Center of solvent box is: 65.710222, -46.935873, -65.710222 Adding box at: x=1 y=7 z=9 Center of solvent box is: 65.710222, -46.935873, -84.484571 Adding box at: x=1 y=8 z=0 Center of solvent box is: 65.710222, -65.710222, 84.484571 Adding box at: x=1 y=8 z=1 Center of solvent box is: 65.710222, -65.710222, 65.710222 Adding box at: x=1 y=8 z=2 Center of solvent box is: 65.710222, -65.710222, 46.935873 Adding box at: x=1 y=8 z=3 Center of solvent box is: 65.710222, -65.710222, 28.161524 Adding box at: x=1 y=8 z=4 Center of solvent box is: 65.710222, -65.710222, 9.387175 Adding box at: x=1 y=8 z=5 Center of solvent box is: 65.710222, -65.710222, -9.387175 Adding box at: x=1 y=8 z=6 Center of solvent box is: 65.710222, -65.710222, -28.161524 Adding box at: x=1 y=8 z=7 Center of solvent box is: 65.710222, -65.710222, -46.935873 Adding box at: x=1 y=8 z=8 Center of solvent box is: 65.710222, -65.710222, -65.710222 Adding box at: x=1 y=8 z=9 Center of solvent box is: 65.710222, -65.710222, -84.484571 Adding box at: x=1 y=9 z=0 Center of solvent box is: 65.710222, -84.484571, 84.484571 Adding box at: x=1 y=9 z=1 Center of solvent box is: 65.710222, -84.484571, 65.710222 Adding box at: x=1 y=9 z=2 Center of solvent box is: 65.710222, -84.484571, 46.935873 Adding box at: x=1 y=9 z=3 Center of solvent box is: 65.710222, -84.484571, 28.161524 Adding box at: x=1 y=9 z=4 Center of solvent box is: 65.710222, -84.484571, 9.387175 Adding box at: x=1 y=9 z=5 Center of solvent box is: 65.710222, -84.484571, -9.387175 Adding box at: x=1 y=9 z=6 Center of solvent box is: 65.710222, -84.484571, -28.161524 Adding box at: x=1 y=9 z=7 Center of solvent box is: 65.710222, -84.484571, -46.935873 Adding box at: x=1 y=9 z=8 Center of solvent box is: 65.710222, -84.484571, -65.710222 Adding box at: x=1 y=9 z=9 Center of solvent box is: 65.710222, -84.484571, -84.484571 Adding box at: x=2 y=0 z=0 Center of solvent box is: 46.935873, 84.484571, 84.484571 Adding box at: x=2 y=0 z=1 Center of solvent box is: 46.935873, 84.484571, 65.710222 Adding box at: x=2 y=0 z=2 Center of solvent box is: 46.935873, 84.484571, 46.935873 Adding box at: x=2 y=0 z=3 Center of solvent box is: 46.935873, 84.484571, 28.161524 Adding box at: x=2 y=0 z=4 Center of solvent box is: 46.935873, 84.484571, 9.387175 Adding box at: x=2 y=0 z=5 Center of solvent box is: 46.935873, 84.484571, -9.387175 Adding box at: x=2 y=0 z=6 Center of solvent box is: 46.935873, 84.484571, -28.161524 Adding box at: x=2 y=0 z=7 Center of solvent box is: 46.935873, 84.484571, -46.935873 Adding box at: x=2 y=0 z=8 Center of solvent box is: 46.935873, 84.484571, -65.710222 Adding box at: x=2 y=0 z=9 Center of solvent box is: 46.935873, 84.484571, -84.484571 Adding box at: x=2 y=1 z=0 Center of solvent box is: 46.935873, 65.710222, 84.484571 Adding box at: x=2 y=1 z=1 Center of solvent box is: 46.935873, 65.710222, 65.710222 Adding box at: x=2 y=1 z=2 Center of solvent box is: 46.935873, 65.710222, 46.935873 Adding box at: x=2 y=1 z=3 Center of solvent box is: 46.935873, 65.710222, 28.161524 Adding box at: x=2 y=1 z=4 Center of solvent box is: 46.935873, 65.710222, 9.387175 Adding box at: x=2 y=1 z=5 Center of solvent box is: 46.935873, 65.710222, -9.387175 Adding box at: x=2 y=1 z=6 Center of solvent box is: 46.935873, 65.710222, -28.161524 Adding box at: x=2 y=1 z=7 Center of solvent box is: 46.935873, 65.710222, -46.935873 Adding box at: x=2 y=1 z=8 Center of solvent box is: 46.935873, 65.710222, -65.710222 Adding box at: x=2 y=1 z=9 Center of solvent box is: 46.935873, 65.710222, -84.484571 Adding box at: x=2 y=2 z=0 Center of solvent box is: 46.935873, 46.935873, 84.484571 Adding box at: x=2 y=2 z=1 Center of solvent box is: 46.935873, 46.935873, 65.710222 Adding box at: x=2 y=2 z=2 Center of solvent box is: 46.935873, 46.935873, 46.935873 Adding box at: x=2 y=2 z=3 Center of solvent box is: 46.935873, 46.935873, 28.161524 Adding box at: x=2 y=2 z=4 Center of solvent box is: 46.935873, 46.935873, 9.387175 Adding box at: x=2 y=2 z=5 Center of solvent box is: 46.935873, 46.935873, -9.387175 Adding box at: x=2 y=2 z=6 Center of solvent box is: 46.935873, 46.935873, -28.161524 Adding box at: x=2 y=2 z=7 Center of solvent box is: 46.935873, 46.935873, -46.935873 Adding box at: x=2 y=2 z=8 Center of solvent box is: 46.935873, 46.935873, -65.710222 Adding box at: x=2 y=2 z=9 Center of solvent box is: 46.935873, 46.935873, -84.484571 Adding box at: x=2 y=3 z=0 Center of solvent box is: 46.935873, 28.161524, 84.484571 Adding box at: x=2 y=3 z=1 Center of solvent box is: 46.935873, 28.161524, 65.710222 Adding box at: x=2 y=3 z=2 Center of solvent box is: 46.935873, 28.161524, 46.935873 Adding box at: x=2 y=3 z=3 Center of solvent box is: 46.935873, 28.161524, 28.161524 Adding box at: x=2 y=3 z=4 Center of solvent box is: 46.935873, 28.161524, 9.387175 Adding box at: x=2 y=3 z=5 Center of solvent box is: 46.935873, 28.161524, -9.387175 Adding box at: x=2 y=3 z=6 Center of solvent box is: 46.935873, 28.161524, -28.161524 Adding box at: x=2 y=3 z=7 Center of solvent box is: 46.935873, 28.161524, -46.935873 Adding box at: x=2 y=3 z=8 Center of solvent box is: 46.935873, 28.161524, -65.710222 Adding box at: x=2 y=3 z=9 Center of solvent box is: 46.935873, 28.161524, -84.484571 Adding box at: x=2 y=4 z=0 Center of solvent box is: 46.935873, 9.387175, 84.484571 Adding box at: x=2 y=4 z=1 Center of solvent box is: 46.935873, 9.387175, 65.710222 Adding box at: x=2 y=4 z=2 Center of solvent box is: 46.935873, 9.387175, 46.935873 Adding box at: x=2 y=4 z=3 Center of solvent box is: 46.935873, 9.387175, 28.161524 Adding box at: x=2 y=4 z=4 Center of solvent box is: 46.935873, 9.387175, 9.387175 Adding box at: x=2 y=4 z=5 Center of solvent box is: 46.935873, 9.387175, -9.387175 Adding box at: x=2 y=4 z=6 Center of solvent box is: 46.935873, 9.387175, -28.161524 Adding box at: x=2 y=4 z=7 Center of solvent box is: 46.935873, 9.387175, -46.935873 Adding box at: x=2 y=4 z=8 Center of solvent box is: 46.935873, 9.387175, -65.710222 Adding box at: x=2 y=4 z=9 Center of solvent box is: 46.935873, 9.387175, -84.484571 Adding box at: x=2 y=5 z=0 Center of solvent box is: 46.935873, -9.387175, 84.484571 Adding box at: x=2 y=5 z=1 Center of solvent box is: 46.935873, -9.387175, 65.710222 Adding box at: x=2 y=5 z=2 Center of solvent box is: 46.935873, -9.387175, 46.935873 Adding box at: x=2 y=5 z=3 Center of solvent box is: 46.935873, -9.387175, 28.161524 Adding box at: x=2 y=5 z=4 Center of solvent box is: 46.935873, -9.387175, 9.387175 Adding box at: x=2 y=5 z=5 Center of solvent box is: 46.935873, -9.387175, -9.387175 Adding box at: x=2 y=5 z=6 Center of solvent box is: 46.935873, -9.387175, -28.161524 Adding box at: x=2 y=5 z=7 Center of solvent box is: 46.935873, -9.387175, -46.935873 Adding box at: x=2 y=5 z=8 Center of solvent box is: 46.935873, -9.387175, -65.710222 Adding box at: x=2 y=5 z=9 Center of solvent box is: 46.935873, -9.387175, -84.484571 Adding box at: x=2 y=6 z=0 Center of solvent box is: 46.935873, -28.161524, 84.484571 Adding box at: x=2 y=6 z=1 Center of solvent box is: 46.935873, -28.161524, 65.710222 Adding box at: x=2 y=6 z=2 Center of solvent box is: 46.935873, -28.161524, 46.935873 Adding box at: x=2 y=6 z=3 Center of solvent box is: 46.935873, -28.161524, 28.161524 Adding box at: x=2 y=6 z=4 Center of solvent box is: 46.935873, -28.161524, 9.387175 Adding box at: x=2 y=6 z=5 Center of solvent box is: 46.935873, -28.161524, -9.387175 Adding box at: x=2 y=6 z=6 Center of solvent box is: 46.935873, -28.161524, -28.161524 Adding box at: x=2 y=6 z=7 Center of solvent box is: 46.935873, -28.161524, -46.935873 Adding box at: x=2 y=6 z=8 Center of solvent box is: 46.935873, -28.161524, -65.710222 Adding box at: x=2 y=6 z=9 Center of solvent box is: 46.935873, -28.161524, -84.484571 Adding box at: x=2 y=7 z=0 Center of solvent box is: 46.935873, -46.935873, 84.484571 Adding box at: x=2 y=7 z=1 Center of solvent box is: 46.935873, -46.935873, 65.710222 Adding box at: x=2 y=7 z=2 Center of solvent box is: 46.935873, -46.935873, 46.935873 Adding box at: x=2 y=7 z=3 Center of solvent box is: 46.935873, -46.935873, 28.161524 Adding box at: x=2 y=7 z=4 Center of solvent box is: 46.935873, -46.935873, 9.387175 Adding box at: x=2 y=7 z=5 Center of solvent box is: 46.935873, -46.935873, -9.387175 Adding box at: x=2 y=7 z=6 Center of solvent box is: 46.935873, -46.935873, -28.161524 Adding box at: x=2 y=7 z=7 Center of solvent box is: 46.935873, -46.935873, -46.935873 Adding box at: x=2 y=7 z=8 Center of solvent box is: 46.935873, -46.935873, -65.710222 Adding box at: x=2 y=7 z=9 Center of solvent box is: 46.935873, -46.935873, -84.484571 Adding box at: x=2 y=8 z=0 Center of solvent box is: 46.935873, -65.710222, 84.484571 Adding box at: x=2 y=8 z=1 Center of solvent box is: 46.935873, -65.710222, 65.710222 Adding box at: x=2 y=8 z=2 Center of solvent box is: 46.935873, -65.710222, 46.935873 Adding box at: x=2 y=8 z=3 Center of solvent box is: 46.935873, -65.710222, 28.161524 Adding box at: x=2 y=8 z=4 Center of solvent box is: 46.935873, -65.710222, 9.387175 Adding box at: x=2 y=8 z=5 Center of solvent box is: 46.935873, -65.710222, -9.387175 Adding box at: x=2 y=8 z=6 Center of solvent box is: 46.935873, -65.710222, -28.161524 Adding box at: x=2 y=8 z=7 Center of solvent box is: 46.935873, -65.710222, -46.935873 Adding box at: x=2 y=8 z=8 Center of solvent box is: 46.935873, -65.710222, -65.710222 Adding box at: x=2 y=8 z=9 Center of solvent box is: 46.935873, -65.710222, -84.484571 Adding box at: x=2 y=9 z=0 Center of solvent box is: 46.935873, -84.484571, 84.484571 Adding box at: x=2 y=9 z=1 Center of solvent box is: 46.935873, -84.484571, 65.710222 Adding box at: x=2 y=9 z=2 Center of solvent box is: 46.935873, -84.484571, 46.935873 Adding box at: x=2 y=9 z=3 Center of solvent box is: 46.935873, -84.484571, 28.161524 Adding box at: x=2 y=9 z=4 Center of solvent box is: 46.935873, -84.484571, 9.387175 Adding box at: x=2 y=9 z=5 Center of solvent box is: 46.935873, -84.484571, -9.387175 Adding box at: x=2 y=9 z=6 Center of solvent box is: 46.935873, -84.484571, -28.161524 Adding box at: x=2 y=9 z=7 Center of solvent box is: 46.935873, -84.484571, -46.935873 Adding box at: x=2 y=9 z=8 Center of solvent box is: 46.935873, -84.484571, -65.710222 Adding box at: x=2 y=9 z=9 Center of solvent box is: 46.935873, -84.484571, -84.484571 Adding box at: x=3 y=0 z=0 Center of solvent box is: 28.161524, 84.484571, 84.484571 Adding box at: x=3 y=0 z=1 Center of solvent box is: 28.161524, 84.484571, 65.710222 Adding box at: x=3 y=0 z=2 Center of solvent box is: 28.161524, 84.484571, 46.935873 Adding box at: x=3 y=0 z=3 Center of solvent box is: 28.161524, 84.484571, 28.161524 Adding box at: x=3 y=0 z=4 Center of solvent box is: 28.161524, 84.484571, 9.387175 Adding box at: x=3 y=0 z=5 Center of solvent box is: 28.161524, 84.484571, -9.387175 Adding box at: x=3 y=0 z=6 Center of solvent box is: 28.161524, 84.484571, -28.161524 Adding box at: x=3 y=0 z=7 Center of solvent box is: 28.161524, 84.484571, -46.935873 Adding box at: x=3 y=0 z=8 Center of solvent box is: 28.161524, 84.484571, -65.710222 Adding box at: x=3 y=0 z=9 Center of solvent box is: 28.161524, 84.484571, -84.484571 Adding box at: x=3 y=1 z=0 Center of solvent box is: 28.161524, 65.710222, 84.484571 Adding box at: x=3 y=1 z=1 Center of solvent box is: 28.161524, 65.710222, 65.710222 Adding box at: x=3 y=1 z=2 Center of solvent box is: 28.161524, 65.710222, 46.935873 Adding box at: x=3 y=1 z=3 Center of solvent box is: 28.161524, 65.710222, 28.161524 Adding box at: x=3 y=1 z=4 Center of solvent box is: 28.161524, 65.710222, 9.387175 Adding box at: x=3 y=1 z=5 Center of solvent box is: 28.161524, 65.710222, -9.387175 Adding box at: x=3 y=1 z=6 Center of solvent box is: 28.161524, 65.710222, -28.161524 Adding box at: x=3 y=1 z=7 Center of solvent box is: 28.161524, 65.710222, -46.935873 Adding box at: x=3 y=1 z=8 Center of solvent box is: 28.161524, 65.710222, -65.710222 Adding box at: x=3 y=1 z=9 Center of solvent box is: 28.161524, 65.710222, -84.484571 Adding box at: x=3 y=2 z=0 Center of solvent box is: 28.161524, 46.935873, 84.484571 Adding box at: x=3 y=2 z=1 Center of solvent box is: 28.161524, 46.935873, 65.710222 Adding box at: x=3 y=2 z=2 Center of solvent box is: 28.161524, 46.935873, 46.935873 Adding box at: x=3 y=2 z=3 Center of solvent box is: 28.161524, 46.935873, 28.161524 Adding box at: x=3 y=2 z=4 Center of solvent box is: 28.161524, 46.935873, 9.387175 Adding box at: x=3 y=2 z=5 Center of solvent box is: 28.161524, 46.935873, -9.387175 Adding box at: x=3 y=2 z=6 Center of solvent box is: 28.161524, 46.935873, -28.161524 Adding box at: x=3 y=2 z=7 Center of solvent box is: 28.161524, 46.935873, -46.935873 Adding box at: x=3 y=2 z=8 Center of solvent box is: 28.161524, 46.935873, -65.710222 Adding box at: x=3 y=2 z=9 Center of solvent box is: 28.161524, 46.935873, -84.484571 Adding box at: x=3 y=3 z=0 Center of solvent box is: 28.161524, 28.161524, 84.484571 Adding box at: x=3 y=3 z=1 Center of solvent box is: 28.161524, 28.161524, 65.710222 Adding box at: x=3 y=3 z=2 Center of solvent box is: 28.161524, 28.161524, 46.935873 Adding box at: x=3 y=3 z=3 Center of solvent box is: 28.161524, 28.161524, 28.161524 Adding box at: x=3 y=3 z=4 Center of solvent box is: 28.161524, 28.161524, 9.387175 Adding box at: x=3 y=3 z=5 Center of solvent box is: 28.161524, 28.161524, -9.387175 Adding box at: x=3 y=3 z=6 Center of solvent box is: 28.161524, 28.161524, -28.161524 Adding box at: x=3 y=3 z=7 Center of solvent box is: 28.161524, 28.161524, -46.935873 Adding box at: x=3 y=3 z=8 Center of solvent box is: 28.161524, 28.161524, -65.710222 Adding box at: x=3 y=3 z=9 Center of solvent box is: 28.161524, 28.161524, -84.484571 Adding box at: x=3 y=4 z=0 Center of solvent box is: 28.161524, 9.387175, 84.484571 Adding box at: x=3 y=4 z=1 Center of solvent box is: 28.161524, 9.387175, 65.710222 Adding box at: x=3 y=4 z=2 Center of solvent box is: 28.161524, 9.387175, 46.935873 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=4 z=4 Center of solvent box is: 28.161524, 9.387175, 9.387175 Adding box at: x=3 y=4 z=5 Center of solvent box is: 28.161524, 9.387175, -9.387175 Adding box at: x=3 y=4 z=6 Center of solvent box is: 28.161524, 9.387175, -28.161524 Adding box at: x=3 y=4 z=7 Center of solvent box is: 28.161524, 9.387175, -46.935873 Adding box at: x=3 y=4 z=8 Center of solvent box is: 28.161524, 9.387175, -65.710222 Adding box at: x=3 y=4 z=9 Center of solvent box is: 28.161524, 9.387175, -84.484571 Adding box at: x=3 y=5 z=0 Center of solvent box is: 28.161524, -9.387175, 84.484571 Adding box at: x=3 y=5 z=1 Center of solvent box is: 28.161524, -9.387175, 65.710222 Adding box at: x=3 y=5 z=2 Center of solvent box is: 28.161524, -9.387175, 46.935873 Adding box at: x=3 y=5 z=3 Center of solvent box is: 28.161524, -9.387175, 28.161524 Adding box at: x=3 y=5 z=4 Center of solvent box is: 28.161524, -9.387175, 9.387175 Adding box at: x=3 y=5 z=5 Center of solvent box is: 28.161524, -9.387175, -9.387175 Adding box at: x=3 y=5 z=6 Center of solvent box is: 28.161524, -9.387175, -28.161524 Adding box at: x=3 y=5 z=7 Center of solvent box is: 28.161524, -9.387175, -46.935873 Adding box at: x=3 y=5 z=8 Center of solvent box is: 28.161524, -9.387175, -65.710222 Adding box at: x=3 y=5 z=9 Center of solvent box is: 28.161524, -9.387175, -84.484571 Adding box at: x=3 y=6 z=0 Center of solvent box is: 28.161524, -28.161524, 84.484571 Adding box at: x=3 y=6 z=1 Center of solvent box is: 28.161524, -28.161524, 65.710222 Adding box at: x=3 y=6 z=2 Center of solvent box is: 28.161524, -28.161524, 46.935873 Adding box at: x=3 y=6 z=3 Center of solvent box is: 28.161524, -28.161524, 28.161524 Adding box at: x=3 y=6 z=4 Center of solvent box is: 28.161524, -28.161524, 9.387175 Adding box at: x=3 y=6 z=5 Center of solvent box is: 28.161524, -28.161524, -9.387175 Adding box at: x=3 y=6 z=6 Center of solvent box is: 28.161524, -28.161524, -28.161524 Adding box at: x=3 y=6 z=7 Center of solvent box is: 28.161524, -28.161524, -46.935873 Adding box at: x=3 y=6 z=8 Center of solvent box is: 28.161524, -28.161524, -65.710222 Adding box at: x=3 y=6 z=9 Center of solvent box is: 28.161524, -28.161524, -84.484571 Adding box at: x=3 y=7 z=0 Center of solvent box is: 28.161524, -46.935873, 84.484571 Adding box at: x=3 y=7 z=1 Center of solvent box is: 28.161524, -46.935873, 65.710222 Adding box at: x=3 y=7 z=2 Center of solvent box is: 28.161524, -46.935873, 46.935873 Adding box at: x=3 y=7 z=3 Center of solvent box is: 28.161524, -46.935873, 28.161524 Adding box at: x=3 y=7 z=4 Center of solvent box is: 28.161524, -46.935873, 9.387175 Adding box at: x=3 y=7 z=5 Center of solvent box is: 28.161524, -46.935873, -9.387175 Adding box at: x=3 y=7 z=6 Center of solvent box is: 28.161524, -46.935873, -28.161524 Adding box at: x=3 y=7 z=7 Center of solvent box is: 28.161524, -46.935873, -46.935873 Adding box at: x=3 y=7 z=8 Center of solvent box is: 28.161524, -46.935873, -65.710222 Adding box at: x=3 y=7 z=9 Center of solvent box is: 28.161524, -46.935873, -84.484571 Adding box at: x=3 y=8 z=0 Center of solvent box is: 28.161524, -65.710222, 84.484571 Adding box at: x=3 y=8 z=1 Center of solvent box is: 28.161524, -65.710222, 65.710222 Adding box at: x=3 y=8 z=2 Center of solvent box is: 28.161524, -65.710222, 46.935873 Adding box at: x=3 y=8 z=3 Center of solvent box is: 28.161524, -65.710222, 28.161524 Adding box at: x=3 y=8 z=4 Center of solvent box is: 28.161524, -65.710222, 9.387175 Adding box at: x=3 y=8 z=5 Center of solvent box is: 28.161524, -65.710222, -9.387175 Adding box at: x=3 y=8 z=6 Center of solvent box is: 28.161524, -65.710222, -28.161524 Adding box at: x=3 y=8 z=7 Center of solvent box is: 28.161524, -65.710222, -46.935873 Adding box at: x=3 y=8 z=8 Center of solvent box is: 28.161524, -65.710222, -65.710222 Adding box at: x=3 y=8 z=9 Center of solvent box is: 28.161524, -65.710222, -84.484571 Adding box at: x=3 y=9 z=0 Center of solvent box is: 28.161524, -84.484571, 84.484571 Adding box at: x=3 y=9 z=1 Center of solvent box is: 28.161524, -84.484571, 65.710222 Adding box at: x=3 y=9 z=2 Center of solvent box is: 28.161524, -84.484571, 46.935873 Adding box at: x=3 y=9 z=3 Center of solvent box is: 28.161524, -84.484571, 28.161524 Adding box at: x=3 y=9 z=4 Center of solvent box is: 28.161524, -84.484571, 9.387175 Adding box at: x=3 y=9 z=5 Center of solvent box is: 28.161524, -84.484571, -9.387175 Adding box at: x=3 y=9 z=6 Center of solvent box is: 28.161524, -84.484571, -28.161524 Adding box at: x=3 y=9 z=7 Center of solvent box is: 28.161524, -84.484571, -46.935873 Adding box at: x=3 y=9 z=8 Center of solvent box is: 28.161524, -84.484571, -65.710222 Adding box at: x=3 y=9 z=9 Center of solvent box is: 28.161524, -84.484571, -84.484571 Adding box at: x=4 y=0 z=0 Center of solvent box is: 9.387175, 84.484571, 84.484571 Adding box at: x=4 y=0 z=1 Center of solvent box is: 9.387175, 84.484571, 65.710222 Adding box at: x=4 y=0 z=2 Center of solvent box is: 9.387175, 84.484571, 46.935873 Adding box at: x=4 y=0 z=3 Center of solvent box is: 9.387175, 84.484571, 28.161524 Adding box at: x=4 y=0 z=4 Center of solvent box is: 9.387175, 84.484571, 9.387175 Adding box at: x=4 y=0 z=5 Center of solvent box is: 9.387175, 84.484571, -9.387175 Adding box at: x=4 y=0 z=6 Center of solvent box is: 9.387175, 84.484571, -28.161524 Adding box at: x=4 y=0 z=7 Center of solvent box is: 9.387175, 84.484571, -46.935873 Adding box at: x=4 y=0 z=8 Center of solvent box is: 9.387175, 84.484571, -65.710222 Adding box at: x=4 y=0 z=9 Center of solvent box is: 9.387175, 84.484571, -84.484571 Adding box at: x=4 y=1 z=0 Center of solvent box is: 9.387175, 65.710222, 84.484571 Adding box at: x=4 y=1 z=1 Center of solvent box is: 9.387175, 65.710222, 65.710222 Adding box at: x=4 y=1 z=2 Center of solvent box is: 9.387175, 65.710222, 46.935873 Adding box at: x=4 y=1 z=3 Center of solvent box is: 9.387175, 65.710222, 28.161524 Adding box at: x=4 y=1 z=4 Center of solvent box is: 9.387175, 65.710222, 9.387175 Adding box at: x=4 y=1 z=5 Center of solvent box is: 9.387175, 65.710222, -9.387175 Adding box at: x=4 y=1 z=6 Center of solvent box is: 9.387175, 65.710222, -28.161524 Adding box at: x=4 y=1 z=7 Center of solvent box is: 9.387175, 65.710222, -46.935873 Adding box at: x=4 y=1 z=8 Center of solvent box is: 9.387175, 65.710222, -65.710222 Adding box at: x=4 y=1 z=9 Center of solvent box is: 9.387175, 65.710222, -84.484571 Adding box at: x=4 y=2 z=0 Center of solvent box is: 9.387175, 46.935873, 84.484571 Adding box at: x=4 y=2 z=1 Center of solvent box is: 9.387175, 46.935873, 65.710222 Adding box at: x=4 y=2 z=2 Center of solvent box is: 9.387175, 46.935873, 46.935873 Adding box at: x=4 y=2 z=3 Center of solvent box is: 9.387175, 46.935873, 28.161524 Adding box at: x=4 y=2 z=4 Center of solvent box is: 9.387175, 46.935873, 9.387175 Adding box at: x=4 y=2 z=5 Center of solvent box is: 9.387175, 46.935873, -9.387175 Adding box at: x=4 y=2 z=6 Center of solvent box is: 9.387175, 46.935873, -28.161524 Adding box at: x=4 y=2 z=7 Center of solvent box is: 9.387175, 46.935873, -46.935873 Adding box at: x=4 y=2 z=8 Center of solvent box is: 9.387175, 46.935873, -65.710222 Adding box at: x=4 y=2 z=9 Center of solvent box is: 9.387175, 46.935873, -84.484571 Adding box at: x=4 y=3 z=0 Center of solvent box is: 9.387175, 28.161524, 84.484571 Adding box at: x=4 y=3 z=1 Center of solvent box is: 9.387175, 28.161524, 65.710222 Adding box at: x=4 y=3 z=2 Center of solvent box is: 9.387175, 28.161524, 46.935873 Adding box at: x=4 y=3 z=3 Center of solvent box is: 9.387175, 28.161524, 28.161524 Adding box at: x=4 y=3 z=4 Center of solvent box is: 9.387175, 28.161524, 9.387175 Adding box at: x=4 y=3 z=5 Center of solvent box is: 9.387175, 28.161524, -9.387175 Adding box at: x=4 y=3 z=6 Center of solvent box is: 9.387175, 28.161524, -28.161524 Adding box at: x=4 y=3 z=7 Center of solvent box is: 9.387175, 28.161524, -46.935873 Adding box at: x=4 y=3 z=8 Center of solvent box is: 9.387175, 28.161524, -65.710222 Adding box at: x=4 y=3 z=9 Center of solvent box is: 9.387175, 28.161524, -84.484571 Adding box at: x=4 y=4 z=0 Center of solvent box is: 9.387175, 9.387175, 84.484571 Adding box at: x=4 y=4 z=1 Center of solvent box is: 9.387175, 9.387175, 65.710222 Adding box at: x=4 y=4 z=2 Center of solvent box is: 9.387175, 9.387175, 46.935873 Adding box at: x=4 y=4 z=3 Center of solvent box is: 9.387175, 9.387175, 28.161524 Adding box at: x=4 y=4 z=4 Center of solvent box is: 9.387175, 9.387175, 9.387175 Adding box at: x=4 y=4 z=5 Center of solvent box is: 9.387175, 9.387175, -9.387175 Adding box at: x=4 y=4 z=6 Center of solvent box is: 9.387175, 9.387175, -28.161524 Adding box at: x=4 y=4 z=7 Center of solvent box is: 9.387175, 9.387175, -46.935873 Adding box at: x=4 y=4 z=8 Center of solvent box is: 9.387175, 9.387175, -65.710222 Adding box at: x=4 y=4 z=9 Center of solvent box is: 9.387175, 9.387175, -84.484571 Adding box at: x=4 y=5 z=0 Center of solvent box is: 9.387175, -9.387175, 84.484571 Adding box at: x=4 y=5 z=1 Center of solvent box is: 9.387175, -9.387175, 65.710222 Adding box at: x=4 y=5 z=2 Center of solvent box is: 9.387175, -9.387175, 46.935873 Adding box at: x=4 y=5 z=3 Center of solvent box is: 9.387175, -9.387175, 28.161524 Adding box at: x=4 y=5 z=4 Center of solvent box is: 9.387175, -9.387175, 9.387175 Adding box at: x=4 y=5 z=5 Center of solvent box is: 9.387175, -9.387175, -9.387175 Adding box at: x=4 y=5 z=6 Center of solvent box is: 9.387175, -9.387175, -28.161524 Adding box at: x=4 y=5 z=7 Center of solvent box is: 9.387175, -9.387175, -46.935873 Adding box at: x=4 y=5 z=8 Center of solvent box is: 9.387175, -9.387175, -65.710222 Adding box at: x=4 y=5 z=9 Center of solvent box is: 9.387175, -9.387175, -84.484571 Adding box at: x=4 y=6 z=0 Center of solvent box is: 9.387175, -28.161524, 84.484571 Adding box at: x=4 y=6 z=1 Center of solvent box is: 9.387175, -28.161524, 65.710222 Adding box at: x=4 y=6 z=2 Center of solvent box is: 9.387175, -28.161524, 46.935873 Adding box at: x=4 y=6 z=3 Center of solvent box is: 9.387175, -28.161524, 28.161524 Adding box at: x=4 y=6 z=4 Center of solvent box is: 9.387175, -28.161524, 9.387175 Adding box at: x=4 y=6 z=5 Center of solvent box is: 9.387175, -28.161524, -9.387175 Adding box at: x=4 y=6 z=6 Center of solvent box is: 9.387175, -28.161524, -28.161524 Adding box at: x=4 y=6 z=7 Center of solvent box is: 9.387175, -28.161524, -46.935873 Adding box at: x=4 y=6 z=8 Center of solvent box is: 9.387175, -28.161524, -65.710222 Adding box at: x=4 y=6 z=9 Center of solvent box is: 9.387175, -28.161524, -84.484571 Adding box at: x=4 y=7 z=0 Center of solvent box is: 9.387175, -46.935873, 84.484571 Adding box at: x=4 y=7 z=1 Center of solvent box is: 9.387175, -46.935873, 65.710222 Adding box at: x=4 y=7 z=2 Center of solvent box is: 9.387175, -46.935873, 46.935873 Adding box at: x=4 y=7 z=3 Center of solvent box is: 9.387175, -46.935873, 28.161524 Adding box at: x=4 y=7 z=4 Center of solvent box is: 9.387175, -46.935873, 9.387175 Adding box at: x=4 y=7 z=5 Center of solvent box is: 9.387175, -46.935873, -9.387175 Adding box at: x=4 y=7 z=6 Center of solvent box is: 9.387175, -46.935873, -28.161524 Adding box at: x=4 y=7 z=7 Center of solvent box is: 9.387175, -46.935873, -46.935873 Adding box at: x=4 y=7 z=8 Center of solvent box is: 9.387175, -46.935873, -65.710222 Adding box at: x=4 y=7 z=9 Center of solvent box is: 9.387175, -46.935873, -84.484571 Adding box at: x=4 y=8 z=0 Center of solvent box is: 9.387175, -65.710222, 84.484571 Adding box at: x=4 y=8 z=1 Center of solvent box is: 9.387175, -65.710222, 65.710222 Adding box at: x=4 y=8 z=2 Center of solvent box is: 9.387175, -65.710222, 46.935873 Adding box at: x=4 y=8 z=3 Center of solvent box is: 9.387175, -65.710222, 28.161524 Adding box at: x=4 y=8 z=4 Center of solvent box is: 9.387175, -65.710222, 9.387175 Adding box at: x=4 y=8 z=5 Center of solvent box is: 9.387175, -65.710222, -9.387175 Adding box at: x=4 y=8 z=6 Center of solvent box is: 9.387175, -65.710222, -28.161524 Adding box at: x=4 y=8 z=7 Center of solvent box is: 9.387175, -65.710222, -46.935873 Adding box at: x=4 y=8 z=8 Center of solvent box is: 9.387175, -65.710222, -65.710222 Adding box at: x=4 y=8 z=9 Center of solvent box is: 9.387175, -65.710222, -84.484571 Adding box at: x=4 y=9 z=0 Center of solvent box is: 9.387175, -84.484571, 84.484571 Adding box at: x=4 y=9 z=1 Center of solvent box is: 9.387175, -84.484571, 65.710222 Adding box at: x=4 y=9 z=2 Center of solvent box is: 9.387175, -84.484571, 46.935873 Adding box at: x=4 y=9 z=3 Center of solvent box is: 9.387175, -84.484571, 28.161524 Adding box at: x=4 y=9 z=4 Center of solvent box is: 9.387175, -84.484571, 9.387175 Adding box at: x=4 y=9 z=5 Center of solvent box is: 9.387175, -84.484571, -9.387175 Adding box at: x=4 y=9 z=6 Center of solvent box is: 9.387175, -84.484571, -28.161524 Adding box at: x=4 y=9 z=7 Center of solvent box is: 9.387175, -84.484571, -46.935873 Adding box at: x=4 y=9 z=8 Center of solvent box is: 9.387175, -84.484571, -65.710222 Adding box at: x=4 y=9 z=9 Center of solvent box is: 9.387175, -84.484571, -84.484571 Adding box at: x=5 y=0 z=0 Center of solvent box is: -9.387175, 84.484571, 84.484571 Adding box at: x=5 y=0 z=1 Center of solvent box is: -9.387175, 84.484571, 65.710222 Adding box at: x=5 y=0 z=2 Center of solvent box is: -9.387175, 84.484571, 46.935873 Adding box at: x=5 y=0 z=3 Center of solvent box is: -9.387175, 84.484571, 28.161524 Adding box at: x=5 y=0 z=4 Center of solvent box is: -9.387175, 84.484571, 9.387175 Adding box at: x=5 y=0 z=5 Center of solvent box is: -9.387175, 84.484571, -9.387175 Adding box at: x=5 y=0 z=6 Center of solvent box is: -9.387175, 84.484571, -28.161524 Adding box at: x=5 y=0 z=7 Center of solvent box is: -9.387175, 84.484571, -46.935873 Adding box at: x=5 y=0 z=8 Center of solvent box is: -9.387175, 84.484571, -65.710222 Adding box at: x=5 y=0 z=9 Center of solvent box is: -9.387175, 84.484571, -84.484571 Adding box at: x=5 y=1 z=0 Center of solvent box is: -9.387175, 65.710222, 84.484571 Adding box at: x=5 y=1 z=1 Center of solvent box is: -9.387175, 65.710222, 65.710222 Adding box at: x=5 y=1 z=2 Center of solvent box is: -9.387175, 65.710222, 46.935873 Adding box at: x=5 y=1 z=3 Center of solvent box is: -9.387175, 65.710222, 28.161524 Adding box at: x=5 y=1 z=4 Center of solvent box is: -9.387175, 65.710222, 9.387175 Adding box at: x=5 y=1 z=5 Center of solvent box is: -9.387175, 65.710222, -9.387175 Adding box at: x=5 y=1 z=6 Center of solvent box is: -9.387175, 65.710222, -28.161524 Adding box at: x=5 y=1 z=7 Center of solvent box is: -9.387175, 65.710222, -46.935873 Adding box at: x=5 y=1 z=8 Center of solvent box is: -9.387175, 65.710222, -65.710222 Adding box at: x=5 y=1 z=9 Center of solvent box is: -9.387175, 65.710222, -84.484571 Adding box at: x=5 y=2 z=0 Center of solvent box is: -9.387175, 46.935873, 84.484571 Adding box at: x=5 y=2 z=1 Center of solvent box is: -9.387175, 46.935873, 65.710222 Adding box at: x=5 y=2 z=2 Center of solvent box is: -9.387175, 46.935873, 46.935873 Adding box at: x=5 y=2 z=3 Center of solvent box is: -9.387175, 46.935873, 28.161524 Adding box at: x=5 y=2 z=4 Center of solvent box is: -9.387175, 46.935873, 9.387175 Adding box at: x=5 y=2 z=5 Center of solvent box is: -9.387175, 46.935873, -9.387175 Adding box at: x=5 y=2 z=6 Center of solvent box is: -9.387175, 46.935873, -28.161524 Adding box at: x=5 y=2 z=7 Center of solvent box is: -9.387175, 46.935873, -46.935873 Adding box at: x=5 y=2 z=8 Center of solvent box is: -9.387175, 46.935873, -65.710222 Adding box at: x=5 y=2 z=9 Center of solvent box is: -9.387175, 46.935873, -84.484571 Adding box at: x=5 y=3 z=0 Center of solvent box is: -9.387175, 28.161524, 84.484571 Adding box at: x=5 y=3 z=1 Center of solvent box is: -9.387175, 28.161524, 65.710222 Adding box at: x=5 y=3 z=2 Center of solvent box is: -9.387175, 28.161524, 46.935873 Adding box at: x=5 y=3 z=3 Center of solvent box is: -9.387175, 28.161524, 28.161524 Adding box at: x=5 y=3 z=4 Center of solvent box is: -9.387175, 28.161524, 9.387175 Adding box at: x=5 y=3 z=5 Center of solvent box is: -9.387175, 28.161524, -9.387175 Adding box at: x=5 y=3 z=6 Center of solvent box is: -9.387175, 28.161524, -28.161524 Adding box at: x=5 y=3 z=7 Center of solvent box is: -9.387175, 28.161524, -46.935873 Adding box at: x=5 y=3 z=8 Center of solvent box is: -9.387175, 28.161524, -65.710222 Adding box at: x=5 y=3 z=9 Center of solvent box is: -9.387175, 28.161524, -84.484571 Adding box at: x=5 y=4 z=0 Center of solvent box is: -9.387175, 9.387175, 84.484571 Adding box at: x=5 y=4 z=1 Center of solvent box is: -9.387175, 9.387175, 65.710222 Adding box at: x=5 y=4 z=2 Center of solvent box is: -9.387175, 9.387175, 46.935873 Adding box at: x=5 y=4 z=3 Center of solvent box is: -9.387175, 9.387175, 28.161524 Adding box at: x=5 y=4 z=4 Center of solvent box is: -9.387175, 9.387175, 9.387175 Adding box at: x=5 y=4 z=5 Center of solvent box is: -9.387175, 9.387175, -9.387175 Adding box at: x=5 y=4 z=6 Center of solvent box is: -9.387175, 9.387175, -28.161524 Adding box at: x=5 y=4 z=7 Center of solvent box is: -9.387175, 9.387175, -46.935873 Adding box at: x=5 y=4 z=8 Center of solvent box is: -9.387175, 9.387175, -65.710222 Adding box at: x=5 y=4 z=9 Center of solvent box is: -9.387175, 9.387175, -84.484571 Adding box at: x=5 y=5 z=0 Center of solvent box is: -9.387175, -9.387175, 84.484571 Adding box at: x=5 y=5 z=1 Center of solvent box is: -9.387175, -9.387175, 65.710222 Adding box at: x=5 y=5 z=2 Center of solvent box is: -9.387175, -9.387175, 46.935873 Adding box at: x=5 y=5 z=3 Center of solvent box is: -9.387175, -9.387175, 28.161524 Adding box at: x=5 y=5 z=4 Center of solvent box is: -9.387175, -9.387175, 9.387175 Adding box at: x=5 y=5 z=5 Center of solvent box is: -9.387175, -9.387175, -9.387175 Adding box at: x=5 y=5 z=6 Center of solvent box is: -9.387175, -9.387175, -28.161524 Adding box at: x=5 y=5 z=7 Center of solvent box is: -9.387175, -9.387175, -46.935873 Adding box at: x=5 y=5 z=8 Center of solvent box is: -9.387175, -9.387175, -65.710222 Adding box at: x=5 y=5 z=9 Center of solvent box is: -9.387175, -9.387175, -84.484571 Adding box at: x=5 y=6 z=0 Center of solvent box is: -9.387175, -28.161524, 84.484571 Adding box at: x=5 y=6 z=1 Center of solvent box is: -9.387175, -28.161524, 65.710222 Adding box at: x=5 y=6 z=2 Center of solvent box is: -9.387175, -28.161524, 46.935873 Adding box at: x=5 y=6 z=3 Center of solvent box is: -9.387175, -28.161524, 28.161524 Adding box at: x=5 y=6 z=4 Center of solvent box is: -9.387175, -28.161524, 9.387175 Adding box at: x=5 y=6 z=5 Center of solvent box is: -9.387175, -28.161524, -9.387175 Adding box at: x=5 y=6 z=6 Center of solvent box is: -9.387175, -28.161524, -28.161524 Adding box at: x=5 y=6 z=7 Center of solvent box is: -9.387175, -28.161524, -46.935873 Adding box at: x=5 y=6 z=8 Center of solvent box is: -9.387175, -28.161524, -65.710222 Adding box at: x=5 y=6 z=9 Center of solvent box is: -9.387175, -28.161524, -84.484571 Adding box at: x=5 y=7 z=0 Center of solvent box is: -9.387175, -46.935873, 84.484571 Adding box at: x=5 y=7 z=1 Center of solvent box is: -9.387175, -46.935873, 65.710222 Adding box at: x=5 y=7 z=2 Center of solvent box is: -9.387175, -46.935873, 46.935873 Adding box at: x=5 y=7 z=3 Center of solvent box is: -9.387175, -46.935873, 28.161524 Adding box at: x=5 y=7 z=4 Center of solvent box is: -9.387175, -46.935873, 9.387175 Adding box at: x=5 y=7 z=5 Center of solvent box is: -9.387175, -46.935873, -9.387175 Adding box at: x=5 y=7 z=6 Center of solvent box is: -9.387175, -46.935873, -28.161524 Adding box at: x=5 y=7 z=7 Center of solvent box is: -9.387175, -46.935873, -46.935873 Adding box at: x=5 y=7 z=8 Center of solvent box is: -9.387175, -46.935873, -65.710222 Adding box at: x=5 y=7 z=9 Center of solvent box is: -9.387175, -46.935873, -84.484571 Adding box at: x=5 y=8 z=0 Center of solvent box is: -9.387175, -65.710222, 84.484571 Adding box at: x=5 y=8 z=1 Center of solvent box is: -9.387175, -65.710222, 65.710222 Adding box at: x=5 y=8 z=2 Center of solvent box is: -9.387175, -65.710222, 46.935873 Adding box at: x=5 y=8 z=3 Center of solvent box is: -9.387175, -65.710222, 28.161524 Adding box at: x=5 y=8 z=4 Center of solvent box is: -9.387175, -65.710222, 9.387175 Adding box at: x=5 y=8 z=5 Center of solvent box is: -9.387175, -65.710222, -9.387175 Adding box at: x=5 y=8 z=6 Center of solvent box is: -9.387175, -65.710222, -28.161524 Adding box at: x=5 y=8 z=7 Center of solvent box is: -9.387175, -65.710222, -46.935873 Adding box at: x=5 y=8 z=8 Center of solvent box is: -9.387175, -65.710222, -65.710222 Adding box at: x=5 y=8 z=9 Center of solvent box is: -9.387175, -65.710222, -84.484571 Adding box at: x=5 y=9 z=0 Center of solvent box is: -9.387175, -84.484571, 84.484571 Adding box at: x=5 y=9 z=1 Center of solvent box is: -9.387175, -84.484571, 65.710222 Adding box at: x=5 y=9 z=2 Center of solvent box is: -9.387175, -84.484571, 46.935873 Adding box at: x=5 y=9 z=3 Center of solvent box is: -9.387175, -84.484571, 28.161524 Adding box at: x=5 y=9 z=4 Center of solvent box is: -9.387175, -84.484571, 9.387175 Adding box at: x=5 y=9 z=5 Center of solvent box is: -9.387175, -84.484571, -9.387175 Adding box at: x=5 y=9 z=6 Center of solvent box is: -9.387175, -84.484571, -28.161524 Adding box at: x=5 y=9 z=7 Center of solvent box is: -9.387175, -84.484571, -46.935873 Adding box at: x=5 y=9 z=8 Center of solvent box is: -9.387175, -84.484571, -65.710222 Adding box at: x=5 y=9 z=9 Center of solvent box is: -9.387175, -84.484571, -84.484571 Adding box at: x=6 y=0 z=0 Center of solvent box is: -28.161524, 84.484571, 84.484571 Adding box at: x=6 y=0 z=1 Center of solvent box is: -28.161524, 84.484571, 65.710222 Adding box at: x=6 y=0 z=2 Center of solvent box is: -28.161524, 84.484571, 46.935873 Adding box at: x=6 y=0 z=3 Center of solvent box is: -28.161524, 84.484571, 28.161524 Adding box at: x=6 y=0 z=4 Center of solvent box is: -28.161524, 84.484571, 9.387175 Adding box at: x=6 y=0 z=5 Center of solvent box is: -28.161524, 84.484571, -9.387175 Adding box at: x=6 y=0 z=6 Center of solvent box is: -28.161524, 84.484571, -28.161524 Adding box at: x=6 y=0 z=7 Center of solvent box is: -28.161524, 84.484571, -46.935873 Adding box at: x=6 y=0 z=8 Center of solvent box is: -28.161524, 84.484571, -65.710222 Adding box at: x=6 y=0 z=9 Center of solvent box is: -28.161524, 84.484571, -84.484571 Adding box at: x=6 y=1 z=0 Center of solvent box is: -28.161524, 65.710222, 84.484571 Adding box at: x=6 y=1 z=1 Center of solvent box is: -28.161524, 65.710222, 65.710222 Adding box at: x=6 y=1 z=2 Center of solvent box is: -28.161524, 65.710222, 46.935873 Adding box at: x=6 y=1 z=3 Center of solvent box is: -28.161524, 65.710222, 28.161524 Adding box at: x=6 y=1 z=4 Center of solvent box is: -28.161524, 65.710222, 9.387175 Adding box at: x=6 y=1 z=5 Center of solvent box is: -28.161524, 65.710222, -9.387175 Adding box at: x=6 y=1 z=6 Center of solvent box is: -28.161524, 65.710222, -28.161524 Adding box at: x=6 y=1 z=7 Center of solvent box is: -28.161524, 65.710222, -46.935873 Adding box at: x=6 y=1 z=8 Center of solvent box is: -28.161524, 65.710222, -65.710222 Adding box at: x=6 y=1 z=9 Center of solvent box is: -28.161524, 65.710222, -84.484571 Adding box at: x=6 y=2 z=0 Center of solvent box is: -28.161524, 46.935873, 84.484571 Adding box at: x=6 y=2 z=1 Center of solvent box is: -28.161524, 46.935873, 65.710222 Adding box at: x=6 y=2 z=2 Center of solvent box is: -28.161524, 46.935873, 46.935873 Adding box at: x=6 y=2 z=3 Center of solvent box is: -28.161524, 46.935873, 28.161524 Adding box at: x=6 y=2 z=4 Center of solvent box is: -28.161524, 46.935873, 9.387175 Adding box at: x=6 y=2 z=5 Center of solvent box is: -28.161524, 46.935873, -9.387175 Adding box at: x=6 y=2 z=6 Center of solvent box is: -28.161524, 46.935873, -28.161524 Adding box at: x=6 y=2 z=7 Center of solvent box is: -28.161524, 46.935873, -46.935873 Adding box at: x=6 y=2 z=8 Center of solvent box is: -28.161524, 46.935873, -65.710222 Adding box at: x=6 y=2 z=9 Center of solvent box is: -28.161524, 46.935873, -84.484571 Adding box at: x=6 y=3 z=0 Center of solvent box is: -28.161524, 28.161524, 84.484571 Adding box at: x=6 y=3 z=1 Center of solvent box is: -28.161524, 28.161524, 65.710222 Adding box at: x=6 y=3 z=2 Center of solvent box is: -28.161524, 28.161524, 46.935873 Adding box at: x=6 y=3 z=3 Center of solvent box is: -28.161524, 28.161524, 28.161524 Adding box at: x=6 y=3 z=4 Center of solvent box is: -28.161524, 28.161524, 9.387175 Adding box at: x=6 y=3 z=5 Center of solvent box is: -28.161524, 28.161524, -9.387175 Adding box at: x=6 y=3 z=6 Center of solvent box is: -28.161524, 28.161524, -28.161524 Adding box at: x=6 y=3 z=7 Center of solvent box is: -28.161524, 28.161524, -46.935873 Adding box at: x=6 y=3 z=8 Center of solvent box is: -28.161524, 28.161524, -65.710222 Adding box at: x=6 y=3 z=9 Center of solvent box is: -28.161524, 28.161524, -84.484571 Adding box at: x=6 y=4 z=0 Center of solvent box is: -28.161524, 9.387175, 84.484571 Adding box at: x=6 y=4 z=1 Center of solvent box is: -28.161524, 9.387175, 65.710222 Adding box at: x=6 y=4 z=2 Center of solvent box is: -28.161524, 9.387175, 46.935873 Adding box at: x=6 y=4 z=3 Center of solvent box is: -28.161524, 9.387175, 28.161524 Adding box at: x=6 y=4 z=4 Center of solvent box is: -28.161524, 9.387175, 9.387175 Adding box at: x=6 y=4 z=5 Center of solvent box is: -28.161524, 9.387175, -9.387175 Adding box at: x=6 y=4 z=6 Center of solvent box is: -28.161524, 9.387175, -28.161524 Adding box at: x=6 y=4 z=7 Center of solvent box is: -28.161524, 9.387175, -46.935873 Adding box at: x=6 y=4 z=8 Center of solvent box is: -28.161524, 9.387175, -65.710222 Adding box at: x=6 y=4 z=9 Center of solvent box is: -28.161524, 9.387175, -84.484571 Adding box at: x=6 y=5 z=0 Center of solvent box is: -28.161524, -9.387175, 84.484571 Adding box at: x=6 y=5 z=1 Center of solvent box is: -28.161524, -9.387175, 65.710222 Adding box at: x=6 y=5 z=2 Center of solvent box is: -28.161524, -9.387175, 46.935873 Adding box at: x=6 y=5 z=3 Center of solvent box is: -28.161524, -9.387175, 28.161524 Adding box at: x=6 y=5 z=4 Center of solvent box is: -28.161524, -9.387175, 9.387175 Adding box at: x=6 y=5 z=5 Center of solvent box is: -28.161524, -9.387175, -9.387175 Adding box at: x=6 y=5 z=6 Center of solvent box is: -28.161524, -9.387175, -28.161524 Adding box at: x=6 y=5 z=7 Center of solvent box is: -28.161524, -9.387175, -46.935873 Adding box at: x=6 y=5 z=8 Center of solvent box is: -28.161524, -9.387175, -65.710222 Adding box at: x=6 y=5 z=9 Center of solvent box is: -28.161524, -9.387175, -84.484571 Adding box at: x=6 y=6 z=0 Center of solvent box is: -28.161524, -28.161524, 84.484571 Adding box at: x=6 y=6 z=1 Center of solvent box is: -28.161524, -28.161524, 65.710222 Adding box at: x=6 y=6 z=2 Center of solvent box is: -28.161524, -28.161524, 46.935873 Adding box at: x=6 y=6 z=3 Center of solvent box is: -28.161524, -28.161524, 28.161524 Adding box at: x=6 y=6 z=4 Center of solvent box is: -28.161524, -28.161524, 9.387175 Adding box at: x=6 y=6 z=5 Center of solvent box is: -28.161524, -28.161524, -9.387175 Adding box at: x=6 y=6 z=6 Center of solvent box is: -28.161524, -28.161524, -28.161524 Adding box at: x=6 y=6 z=7 Center of solvent box is: -28.161524, -28.161524, -46.935873 Adding box at: x=6 y=6 z=8 Center of solvent box is: -28.161524, -28.161524, -65.710222 Adding box at: x=6 y=6 z=9 Center of solvent box is: -28.161524, -28.161524, -84.484571 Adding box at: x=6 y=7 z=0 Center of solvent box is: -28.161524, -46.935873, 84.484571 Adding box at: x=6 y=7 z=1 Center of solvent box is: -28.161524, -46.935873, 65.710222 Adding box at: x=6 y=7 z=2 Center of solvent box is: -28.161524, -46.935873, 46.935873 Adding box at: x=6 y=7 z=3 Center of solvent box is: -28.161524, -46.935873, 28.161524 Adding box at: x=6 y=7 z=4 Center of solvent box is: -28.161524, -46.935873, 9.387175 Adding box at: x=6 y=7 z=5 Center of solvent box is: -28.161524, -46.935873, -9.387175 Adding box at: x=6 y=7 z=6 Center of solvent box is: -28.161524, -46.935873, -28.161524 Adding box at: x=6 y=7 z=7 Center of solvent box is: -28.161524, -46.935873, -46.935873 Adding box at: x=6 y=7 z=8 Center of solvent box is: -28.161524, -46.935873, -65.710222 Adding box at: x=6 y=7 z=9 Center of solvent box is: -28.161524, -46.935873, -84.484571 Adding box at: x=6 y=8 z=0 Center of solvent box is: -28.161524, -65.710222, 84.484571 Adding box at: x=6 y=8 z=1 Center of solvent box is: -28.161524, -65.710222, 65.710222 Adding box at: x=6 y=8 z=2 Center of solvent box is: -28.161524, -65.710222, 46.935873 Adding box at: x=6 y=8 z=3 Center of solvent box is: -28.161524, -65.710222, 28.161524 Adding box at: x=6 y=8 z=4 Center of solvent box is: -28.161524, -65.710222, 9.387175 Adding box at: x=6 y=8 z=5 Center of solvent box is: -28.161524, -65.710222, -9.387175 Adding box at: x=6 y=8 z=6 Center of solvent box is: -28.161524, -65.710222, -28.161524 Adding box at: x=6 y=8 z=7 Center of solvent box is: -28.161524, -65.710222, -46.935873 Adding box at: x=6 y=8 z=8 Center of solvent box is: -28.161524, -65.710222, -65.710222 Adding box at: x=6 y=8 z=9 Center of solvent box is: -28.161524, -65.710222, -84.484571 Adding box at: x=6 y=9 z=0 Center of solvent box is: -28.161524, -84.484571, 84.484571 Adding box at: x=6 y=9 z=1 Center of solvent box is: -28.161524, -84.484571, 65.710222 Adding box at: x=6 y=9 z=2 Center of solvent box is: -28.161524, -84.484571, 46.935873 Adding box at: x=6 y=9 z=3 Center of solvent box is: -28.161524, -84.484571, 28.161524 Adding box at: x=6 y=9 z=4 Center of solvent box is: -28.161524, -84.484571, 9.387175 Adding box at: x=6 y=9 z=5 Center of solvent box is: -28.161524, -84.484571, -9.387175 Adding box at: x=6 y=9 z=6 Center of solvent box is: -28.161524, -84.484571, -28.161524 Adding box at: x=6 y=9 z=7 Center of solvent box is: -28.161524, -84.484571, -46.935873 Adding box at: x=6 y=9 z=8 Center of solvent box is: -28.161524, -84.484571, -65.710222 Adding box at: x=6 y=9 z=9 Center of solvent box is: -28.161524, -84.484571, -84.484571 Adding box at: x=7 y=0 z=0 Center of solvent box is: -46.935873, 84.484571, 84.484571 Adding box at: x=7 y=0 z=1 Center of solvent box is: -46.935873, 84.484571, 65.710222 Adding box at: x=7 y=0 z=2 Center of solvent box is: -46.935873, 84.484571, 46.935873 Adding box at: x=7 y=0 z=3 Center of solvent box is: -46.935873, 84.484571, 28.161524 Adding box at: x=7 y=0 z=4 Center of solvent box is: -46.935873, 84.484571, 9.387175 Adding box at: x=7 y=0 z=5 Center of solvent box is: -46.935873, 84.484571, -9.387175 Adding box at: x=7 y=0 z=6 Center of solvent box is: -46.935873, 84.484571, -28.161524 Adding box at: x=7 y=0 z=7 Center of solvent box is: -46.935873, 84.484571, -46.935873 Adding box at: x=7 y=0 z=8 Center of solvent box is: -46.935873, 84.484571, -65.710222 Adding box at: x=7 y=0 z=9 Center of solvent box is: -46.935873, 84.484571, -84.484571 Adding box at: x=7 y=1 z=0 Center of solvent box is: -46.935873, 65.710222, 84.484571 Adding box at: x=7 y=1 z=1 Center of solvent box is: -46.935873, 65.710222, 65.710222 Adding box at: x=7 y=1 z=2 Center of solvent box is: -46.935873, 65.710222, 46.935873 Adding box at: x=7 y=1 z=3 Center of solvent box is: -46.935873, 65.710222, 28.161524 Adding box at: x=7 y=1 z=4 Center of solvent box is: -46.935873, 65.710222, 9.387175 Adding box at: x=7 y=1 z=5 Center of solvent box is: -46.935873, 65.710222, -9.387175 Adding box at: x=7 y=1 z=6 Center of solvent box is: -46.935873, 65.710222, -28.161524 Adding box at: x=7 y=1 z=7 Center of solvent box is: -46.935873, 65.710222, -46.935873 Adding box at: x=7 y=1 z=8 Center of solvent box is: -46.935873, 65.710222, -65.710222 Adding box at: x=7 y=1 z=9 Center of solvent box is: -46.935873, 65.710222, -84.484571 Adding box at: x=7 y=2 z=0 Center of solvent box is: -46.935873, 46.935873, 84.484571 Adding box at: x=7 y=2 z=1 Center of solvent box is: -46.935873, 46.935873, 65.710222 Adding box at: x=7 y=2 z=2 Center of solvent box is: -46.935873, 46.935873, 46.935873 Adding box at: x=7 y=2 z=3 Center of solvent box is: -46.935873, 46.935873, 28.161524 Adding box at: x=7 y=2 z=4 Center of solvent box is: -46.935873, 46.935873, 9.387175 Adding box at: x=7 y=2 z=5 Center of solvent box is: -46.935873, 46.935873, -9.387175 Adding box at: x=7 y=2 z=6 Center of solvent box is: -46.935873, 46.935873, -28.161524 Adding box at: x=7 y=2 z=7 Center of solvent box is: -46.935873, 46.935873, -46.935873 Adding box at: x=7 y=2 z=8 Center of solvent box is: -46.935873, 46.935873, -65.710222 Adding box at: x=7 y=2 z=9 Center of solvent box is: -46.935873, 46.935873, -84.484571 Adding box at: x=7 y=3 z=0 Center of solvent box is: -46.935873, 28.161524, 84.484571 Adding box at: x=7 y=3 z=1 Center of solvent box is: -46.935873, 28.161524, 65.710222 Adding box at: x=7 y=3 z=2 Center of solvent box is: -46.935873, 28.161524, 46.935873 Adding box at: x=7 y=3 z=3 Center of solvent box is: -46.935873, 28.161524, 28.161524 Adding box at: x=7 y=3 z=4 Center of solvent box is: -46.935873, 28.161524, 9.387175 Adding box at: x=7 y=3 z=5 Center of solvent box is: -46.935873, 28.161524, -9.387175 Adding box at: x=7 y=3 z=6 Center of solvent box is: -46.935873, 28.161524, -28.161524 Adding box at: x=7 y=3 z=7 Center of solvent box is: -46.935873, 28.161524, -46.935873 Adding box at: x=7 y=3 z=8 Center of solvent box is: -46.935873, 28.161524, -65.710222 Adding box at: x=7 y=3 z=9 Center of solvent box is: -46.935873, 28.161524, -84.484571 Adding box at: x=7 y=4 z=0 Center of solvent box is: -46.935873, 9.387175, 84.484571 Adding box at: x=7 y=4 z=1 Center of solvent box is: -46.935873, 9.387175, 65.710222 Adding box at: x=7 y=4 z=2 Center of solvent box is: -46.935873, 9.387175, 46.935873 Adding box at: x=7 y=4 z=3 Center of solvent box is: -46.935873, 9.387175, 28.161524 Adding box at: x=7 y=4 z=4 Center of solvent box is: -46.935873, 9.387175, 9.387175 Adding box at: x=7 y=4 z=5 Center of solvent box is: -46.935873, 9.387175, -9.387175 Adding box at: x=7 y=4 z=6 Center of solvent box is: -46.935873, 9.387175, -28.161524 Adding box at: x=7 y=4 z=7 Center of solvent box is: -46.935873, 9.387175, -46.935873 Adding box at: x=7 y=4 z=8 Center of solvent box is: -46.935873, 9.387175, -65.710222 Adding box at: x=7 y=4 z=9 Center of solvent box is: -46.935873, 9.387175, -84.484571 Adding box at: x=7 y=5 z=0 Center of solvent box is: -46.935873, -9.387175, 84.484571 Adding box at: x=7 y=5 z=1 Center of solvent box is: -46.935873, -9.387175, 65.710222 Adding box at: x=7 y=5 z=2 Center of solvent box is: -46.935873, -9.387175, 46.935873 Adding box at: x=7 y=5 z=3 Center of solvent box is: -46.935873, -9.387175, 28.161524 Adding box at: x=7 y=5 z=4 Center of solvent box is: -46.935873, -9.387175, 9.387175 Adding box at: x=7 y=5 z=5 Center of solvent box is: -46.935873, -9.387175, -9.387175 Adding box at: x=7 y=5 z=6 Center of solvent box is: -46.935873, -9.387175, -28.161524 Adding box at: x=7 y=5 z=7 Center of solvent box is: -46.935873, -9.387175, -46.935873 Adding box at: x=7 y=5 z=8 Center of solvent box is: -46.935873, -9.387175, -65.710222 Adding box at: x=7 y=5 z=9 Center of solvent box is: -46.935873, -9.387175, -84.484571 Adding box at: x=7 y=6 z=0 Center of solvent box is: -46.935873, -28.161524, 84.484571 Adding box at: x=7 y=6 z=1 Center of solvent box is: -46.935873, -28.161524, 65.710222 Adding box at: x=7 y=6 z=2 Center of solvent box is: -46.935873, -28.161524, 46.935873 Adding box at: x=7 y=6 z=3 Center of solvent box is: -46.935873, -28.161524, 28.161524 Adding box at: x=7 y=6 z=4 Center of solvent box is: -46.935873, -28.161524, 9.387175 Adding box at: x=7 y=6 z=5 Center of solvent box is: -46.935873, -28.161524, -9.387175 Adding box at: x=7 y=6 z=6 Center of solvent box is: -46.935873, -28.161524, -28.161524 Adding box at: x=7 y=6 z=7 Center of solvent box is: -46.935873, -28.161524, -46.935873 Adding box at: x=7 y=6 z=8 Center of solvent box is: -46.935873, -28.161524, -65.710222 Adding box at: x=7 y=6 z=9 Center of solvent box is: -46.935873, -28.161524, -84.484571 Adding box at: x=7 y=7 z=0 Center of solvent box is: -46.935873, -46.935873, 84.484571 Adding box at: x=7 y=7 z=1 Center of solvent box is: -46.935873, -46.935873, 65.710222 Adding box at: x=7 y=7 z=2 Center of solvent box is: -46.935873, -46.935873, 46.935873 Adding box at: x=7 y=7 z=3 Center of solvent box is: -46.935873, -46.935873, 28.161524 Adding box at: x=7 y=7 z=4 Center of solvent box is: -46.935873, -46.935873, 9.387175 Adding box at: x=7 y=7 z=5 Center of solvent box is: -46.935873, -46.935873, -9.387175 Adding box at: x=7 y=7 z=6 Center of solvent box is: -46.935873, -46.935873, -28.161524 Adding box at: x=7 y=7 z=7 Center of solvent box is: -46.935873, -46.935873, -46.935873 Adding box at: x=7 y=7 z=8 Center of solvent box is: -46.935873, -46.935873, -65.710222 Adding box at: x=7 y=7 z=9 Center of solvent box is: -46.935873, -46.935873, -84.484571 Adding box at: x=7 y=8 z=0 Center of solvent box is: -46.935873, -65.710222, 84.484571 Adding box at: x=7 y=8 z=1 Center of solvent box is: -46.935873, -65.710222, 65.710222 Adding box at: x=7 y=8 z=2 Center of solvent box is: -46.935873, -65.710222, 46.935873 Adding box at: x=7 y=8 z=3 Center of solvent box is: -46.935873, -65.710222, 28.161524 Adding box at: x=7 y=8 z=4 Center of solvent box is: -46.935873, -65.710222, 9.387175 Adding box at: x=7 y=8 z=5 Center of solvent box is: -46.935873, -65.710222, -9.387175 Adding box at: x=7 y=8 z=6 Center of solvent box is: -46.935873, -65.710222, -28.161524 Adding box at: x=7 y=8 z=7 Center of solvent box is: -46.935873, -65.710222, -46.935873 Adding box at: x=7 y=8 z=8 Center of solvent box is: -46.935873, -65.710222, -65.710222 Adding box at: x=7 y=8 z=9 Center of solvent box is: -46.935873, -65.710222, -84.484571 Adding box at: x=7 y=9 z=0 Center of solvent box is: -46.935873, -84.484571, 84.484571 Adding box at: x=7 y=9 z=1 Center of solvent box is: -46.935873, -84.484571, 65.710222 Adding box at: x=7 y=9 z=2 Center of solvent box is: -46.935873, -84.484571, 46.935873 Adding box at: x=7 y=9 z=3 Center of solvent box is: -46.935873, -84.484571, 28.161524 Adding box at: x=7 y=9 z=4 Center of solvent box is: -46.935873, -84.484571, 9.387175 Adding box at: x=7 y=9 z=5 Center of solvent box is: -46.935873, -84.484571, -9.387175 Adding box at: x=7 y=9 z=6 Center of solvent box is: -46.935873, -84.484571, -28.161524 Adding box at: x=7 y=9 z=7 Center of solvent box is: -46.935873, -84.484571, -46.935873 Adding box at: x=7 y=9 z=8 Center of solvent box is: -46.935873, -84.484571, -65.710222 Adding box at: x=7 y=9 z=9 Center of solvent box is: -46.935873, -84.484571, -84.484571 Adding box at: x=8 y=0 z=0 Center of solvent box is: -65.710222, 84.484571, 84.484571 Adding box at: x=8 y=0 z=1 Center of solvent box is: -65.710222, 84.484571, 65.710222 Adding box at: x=8 y=0 z=2 Center of solvent box is: -65.710222, 84.484571, 46.935873 Adding box at: x=8 y=0 z=3 Center of solvent box is: -65.710222, 84.484571, 28.161524 Adding box at: x=8 y=0 z=4 Center of solvent box is: -65.710222, 84.484571, 9.387175 Adding box at: x=8 y=0 z=5 Center of solvent box is: -65.710222, 84.484571, -9.387175 Adding box at: x=8 y=0 z=6 Center of solvent box is: -65.710222, 84.484571, -28.161524 Adding box at: x=8 y=0 z=7 Center of solvent box is: -65.710222, 84.484571, -46.935873 Adding box at: x=8 y=0 z=8 Center of solvent box is: -65.710222, 84.484571, -65.710222 Adding box at: x=8 y=0 z=9 Center of solvent box is: -65.710222, 84.484571, -84.484571 Adding box at: x=8 y=1 z=0 Center of solvent box is: -65.710222, 65.710222, 84.484571 Adding box at: x=8 y=1 z=1 Center of solvent box is: -65.710222, 65.710222, 65.710222 Adding box at: x=8 y=1 z=2 Center of solvent box is: -65.710222, 65.710222, 46.935873 Adding box at: x=8 y=1 z=3 Center of solvent box is: -65.710222, 65.710222, 28.161524 Adding box at: x=8 y=1 z=4 Center of solvent box is: -65.710222, 65.710222, 9.387175 Adding box at: x=8 y=1 z=5 Center of solvent box is: -65.710222, 65.710222, -9.387175 Adding box at: x=8 y=1 z=6 Center of solvent box is: -65.710222, 65.710222, -28.161524 Adding box at: x=8 y=1 z=7 Center of solvent box is: -65.710222, 65.710222, -46.935873 Adding box at: x=8 y=1 z=8 Center of solvent box is: -65.710222, 65.710222, -65.710222 Adding box at: x=8 y=1 z=9 Center of solvent box is: -65.710222, 65.710222, -84.484571 Adding box at: x=8 y=2 z=0 Center of solvent box is: -65.710222, 46.935873, 84.484571 Adding box at: x=8 y=2 z=1 Center of solvent box is: -65.710222, 46.935873, 65.710222 Adding box at: x=8 y=2 z=2 Center of solvent box is: -65.710222, 46.935873, 46.935873 Adding box at: x=8 y=2 z=3 Center of solvent box is: -65.710222, 46.935873, 28.161524 Adding box at: x=8 y=2 z=4 Center of solvent box is: -65.710222, 46.935873, 9.387175 Adding box at: x=8 y=2 z=5 Center of solvent box is: -65.710222, 46.935873, -9.387175 Adding box at: x=8 y=2 z=6 Center of solvent box is: -65.710222, 46.935873, -28.161524 Adding box at: x=8 y=2 z=7 Center of solvent box is: -65.710222, 46.935873, -46.935873 Adding box at: x=8 y=2 z=8 Center of solvent box is: -65.710222, 46.935873, -65.710222 Adding box at: x=8 y=2 z=9 Center of solvent box is: -65.710222, 46.935873, -84.484571 Adding box at: x=8 y=3 z=0 Center of solvent box is: -65.710222, 28.161524, 84.484571 Adding box at: x=8 y=3 z=1 Center of solvent box is: -65.710222, 28.161524, 65.710222 Adding box at: x=8 y=3 z=2 Center of solvent box is: -65.710222, 28.161524, 46.935873 Adding box at: x=8 y=3 z=3 Center of solvent box is: -65.710222, 28.161524, 28.161524 Adding box at: x=8 y=3 z=4 Center of solvent box is: -65.710222, 28.161524, 9.387175 Adding box at: x=8 y=3 z=5 Center of solvent box is: -65.710222, 28.161524, -9.387175 Adding box at: x=8 y=3 z=6 Center of solvent box is: -65.710222, 28.161524, -28.161524 Adding box at: x=8 y=3 z=7 Center of solvent box is: -65.710222, 28.161524, -46.935873 Adding box at: x=8 y=3 z=8 Center of solvent box is: -65.710222, 28.161524, -65.710222 Adding box at: x=8 y=3 z=9 Center of solvent box is: -65.710222, 28.161524, -84.484571 Adding box at: x=8 y=4 z=0 Center of solvent box is: -65.710222, 9.387175, 84.484571 Adding box at: x=8 y=4 z=1 Center of solvent box is: -65.710222, 9.387175, 65.710222 Adding box at: x=8 y=4 z=2 Center of solvent box is: -65.710222, 9.387175, 46.935873 Adding box at: x=8 y=4 z=3 Center of solvent box is: -65.710222, 9.387175, 28.161524 Adding box at: x=8 y=4 z=4 Center of solvent box is: -65.710222, 9.387175, 9.387175 Adding box at: x=8 y=4 z=5 Center of solvent box is: -65.710222, 9.387175, -9.387175 Adding box at: x=8 y=4 z=6 Center of solvent box is: -65.710222, 9.387175, -28.161524 Adding box at: x=8 y=4 z=7 Center of solvent box is: -65.710222, 9.387175, -46.935873 Adding box at: x=8 y=4 z=8 Center of solvent box is: -65.710222, 9.387175, -65.710222 Adding box at: x=8 y=4 z=9 Center of solvent box is: -65.710222, 9.387175, -84.484571 Adding box at: x=8 y=5 z=0 Center of solvent box is: -65.710222, -9.387175, 84.484571 Adding box at: x=8 y=5 z=1 Center of solvent box is: -65.710222, -9.387175, 65.710222 Adding box at: x=8 y=5 z=2 Center of solvent box is: -65.710222, -9.387175, 46.935873 Adding box at: x=8 y=5 z=3 Center of solvent box is: -65.710222, -9.387175, 28.161524 Adding box at: x=8 y=5 z=4 Center of solvent box is: -65.710222, -9.387175, 9.387175 Adding box at: x=8 y=5 z=5 Center of solvent box is: -65.710222, -9.387175, -9.387175 Adding box at: x=8 y=5 z=6 Center of solvent box is: -65.710222, -9.387175, -28.161524 Adding box at: x=8 y=5 z=7 Center of solvent box is: -65.710222, -9.387175, -46.935873 Adding box at: x=8 y=5 z=8 Center of solvent box is: -65.710222, -9.387175, -65.710222 Adding box at: x=8 y=5 z=9 Center of solvent box is: -65.710222, -9.387175, -84.484571 Adding box at: x=8 y=6 z=0 Center of solvent box is: -65.710222, -28.161524, 84.484571 Adding box at: x=8 y=6 z=1 Center of solvent box is: -65.710222, -28.161524, 65.710222 Adding box at: x=8 y=6 z=2 Center of solvent box is: -65.710222, -28.161524, 46.935873 Adding box at: x=8 y=6 z=3 Center of solvent box is: -65.710222, -28.161524, 28.161524 Adding box at: x=8 y=6 z=4 Center of solvent box is: -65.710222, -28.161524, 9.387175 Adding box at: x=8 y=6 z=5 Center of solvent box is: -65.710222, -28.161524, -9.387175 Adding box at: x=8 y=6 z=6 Center of solvent box is: -65.710222, -28.161524, -28.161524 Adding box at: x=8 y=6 z=7 Center of solvent box is: -65.710222, -28.161524, -46.935873 Adding box at: x=8 y=6 z=8 Center of solvent box is: -65.710222, -28.161524, -65.710222 Adding box at: x=8 y=6 z=9 Center of solvent box is: -65.710222, -28.161524, -84.484571 Adding box at: x=8 y=7 z=0 Center of solvent box is: -65.710222, -46.935873, 84.484571 Adding box at: x=8 y=7 z=1 Center of solvent box is: -65.710222, -46.935873, 65.710222 Adding box at: x=8 y=7 z=2 Center of solvent box is: -65.710222, -46.935873, 46.935873 Adding box at: x=8 y=7 z=3 Center of solvent box is: -65.710222, -46.935873, 28.161524 Adding box at: x=8 y=7 z=4 Center of solvent box is: -65.710222, -46.935873, 9.387175 Adding box at: x=8 y=7 z=5 Center of solvent box is: -65.710222, -46.935873, -9.387175 Adding box at: x=8 y=7 z=6 Center of solvent box is: -65.710222, -46.935873, -28.161524 Adding box at: x=8 y=7 z=7 Center of solvent box is: -65.710222, -46.935873, -46.935873 Adding box at: x=8 y=7 z=8 Center of solvent box is: -65.710222, -46.935873, -65.710222 Adding box at: x=8 y=7 z=9 Center of solvent box is: -65.710222, -46.935873, -84.484571 Adding box at: x=8 y=8 z=0 Center of solvent box is: -65.710222, -65.710222, 84.484571 Adding box at: x=8 y=8 z=1 Center of solvent box is: -65.710222, -65.710222, 65.710222 Adding box at: x=8 y=8 z=2 Center of solvent box is: -65.710222, -65.710222, 46.935873 Adding box at: x=8 y=8 z=3 Center of solvent box is: -65.710222, -65.710222, 28.161524 Adding box at: x=8 y=8 z=4 Center of solvent box is: -65.710222, -65.710222, 9.387175 Adding box at: x=8 y=8 z=5 Center of solvent box is: -65.710222, -65.710222, -9.387175 Adding box at: x=8 y=8 z=6 Center of solvent box is: -65.710222, -65.710222, -28.161524 Adding box at: x=8 y=8 z=7 Center of solvent box is: -65.710222, -65.710222, -46.935873 Adding box at: x=8 y=8 z=8 Center of solvent box is: -65.710222, -65.710222, -65.710222 Adding box at: x=8 y=8 z=9 Center of solvent box is: -65.710222, -65.710222, -84.484571 Adding box at: x=8 y=9 z=0 Center of solvent box is: -65.710222, -84.484571, 84.484571 Adding box at: x=8 y=9 z=1 Center of solvent box is: -65.710222, -84.484571, 65.710222 Adding box at: x=8 y=9 z=2 Center of solvent box is: -65.710222, -84.484571, 46.935873 Adding box at: x=8 y=9 z=3 Center of solvent box is: -65.710222, -84.484571, 28.161524 Adding box at: x=8 y=9 z=4 Center of solvent box is: -65.710222, -84.484571, 9.387175 Adding box at: x=8 y=9 z=5 Center of solvent box is: -65.710222, -84.484571, -9.387175 Adding box at: x=8 y=9 z=6 Center of solvent box is: -65.710222, -84.484571, -28.161524 Adding box at: x=8 y=9 z=7 Center of solvent box is: -65.710222, -84.484571, -46.935873 Adding box at: x=8 y=9 z=8 Center of solvent box is: -65.710222, -84.484571, -65.710222 Adding box at: x=8 y=9 z=9 Center of solvent box is: -65.710222, -84.484571, -84.484571 Adding box at: x=9 y=0 z=0 Center of solvent box is: -84.484571, 84.484571, 84.484571 Adding box at: x=9 y=0 z=1 Center of solvent box is: -84.484571, 84.484571, 65.710222 Adding box at: x=9 y=0 z=2 Center of solvent box is: -84.484571, 84.484571, 46.935873 Adding box at: x=9 y=0 z=3 Center of solvent box is: -84.484571, 84.484571, 28.161524 Adding box at: x=9 y=0 z=4 Center of solvent box is: -84.484571, 84.484571, 9.387175 Adding box at: x=9 y=0 z=5 Center of solvent box is: -84.484571, 84.484571, -9.387175 Adding box at: x=9 y=0 z=6 Center of solvent box is: -84.484571, 84.484571, -28.161524 Adding box at: x=9 y=0 z=7 Center of solvent box is: -84.484571, 84.484571, -46.935873 Adding box at: x=9 y=0 z=8 Center of solvent box is: -84.484571, 84.484571, -65.710222 Adding box at: x=9 y=0 z=9 Center of solvent box is: -84.484571, 84.484571, -84.484571 Adding box at: x=9 y=1 z=0 Center of solvent box is: -84.484571, 65.710222, 84.484571 Adding box at: x=9 y=1 z=1 Center of solvent box is: -84.484571, 65.710222, 65.710222 Adding box at: x=9 y=1 z=2 Center of solvent box is: -84.484571, 65.710222, 46.935873 Adding box at: x=9 y=1 z=3 Center of solvent box is: -84.484571, 65.710222, 28.161524 Adding box at: x=9 y=1 z=4 Center of solvent box is: -84.484571, 65.710222, 9.387175 Adding box at: x=9 y=1 z=5 Center of solvent box is: -84.484571, 65.710222, -9.387175 Adding box at: x=9 y=1 z=6 Center of solvent box is: -84.484571, 65.710222, -28.161524 Adding box at: x=9 y=1 z=7 Center of solvent box is: -84.484571, 65.710222, -46.935873 Adding box at: x=9 y=1 z=8 Center of solvent box is: -84.484571, 65.710222, -65.710222 Adding box at: x=9 y=1 z=9 Center of solvent box is: -84.484571, 65.710222, -84.484571 Adding box at: x=9 y=2 z=0 Center of solvent box is: -84.484571, 46.935873, 84.484571 Adding box at: x=9 y=2 z=1 Center of solvent box is: -84.484571, 46.935873, 65.710222 Adding box at: x=9 y=2 z=2 Center of solvent box is: -84.484571, 46.935873, 46.935873 Adding box at: x=9 y=2 z=3 Center of solvent box is: -84.484571, 46.935873, 28.161524 Adding box at: x=9 y=2 z=4 Center of solvent box is: -84.484571, 46.935873, 9.387175 Adding box at: x=9 y=2 z=5 Center of solvent box is: -84.484571, 46.935873, -9.387175 Adding box at: x=9 y=2 z=6 Center of solvent box is: -84.484571, 46.935873, -28.161524 Adding box at: x=9 y=2 z=7 Center of solvent box is: -84.484571, 46.935873, -46.935873 Adding box at: x=9 y=2 z=8 Center of solvent box is: -84.484571, 46.935873, -65.710222 Adding box at: x=9 y=2 z=9 Center of solvent box is: -84.484571, 46.935873, -84.484571 Adding box at: x=9 y=3 z=0 Center of solvent box is: -84.484571, 28.161524, 84.484571 Adding box at: x=9 y=3 z=1 Center of solvent box is: -84.484571, 28.161524, 65.710222 Adding box at: x=9 y=3 z=2 Center of solvent box is: -84.484571, 28.161524, 46.935873 Adding box at: x=9 y=3 z=3 Center of solvent box is: -84.484571, 28.161524, 28.161524 Adding box at: x=9 y=3 z=4 Center of solvent box is: -84.484571, 28.161524, 9.387175 Adding box at: x=9 y=3 z=5 Center of solvent box is: -84.484571, 28.161524, -9.387175 Adding box at: x=9 y=3 z=6 Center of solvent box is: -84.484571, 28.161524, -28.161524 Adding box at: x=9 y=3 z=7 Center of solvent box is: -84.484571, 28.161524, -46.935873 Adding box at: x=9 y=3 z=8 Center of solvent box is: -84.484571, 28.161524, -65.710222 Adding box at: x=9 y=3 z=9 Center of solvent box is: -84.484571, 28.161524, -84.484571 Adding box at: x=9 y=4 z=0 Center of solvent box is: -84.484571, 9.387175, 84.484571 Adding box at: x=9 y=4 z=1 Center of solvent box is: -84.484571, 9.387175, 65.710222 Adding box at: x=9 y=4 z=2 Center of solvent box is: -84.484571, 9.387175, 46.935873 Adding box at: x=9 y=4 z=3 Center of solvent box is: -84.484571, 9.387175, 28.161524 Adding box at: x=9 y=4 z=4 Center of solvent box is: -84.484571, 9.387175, 9.387175 Adding box at: x=9 y=4 z=5 Center of solvent box is: -84.484571, 9.387175, -9.387175 Adding box at: x=9 y=4 z=6 Center of solvent box is: -84.484571, 9.387175, -28.161524 Adding box at: x=9 y=4 z=7 Center of solvent box is: -84.484571, 9.387175, -46.935873 Adding box at: x=9 y=4 z=8 Center of solvent box is: -84.484571, 9.387175, -65.710222 Adding box at: x=9 y=4 z=9 Center of solvent box is: -84.484571, 9.387175, -84.484571 Adding box at: x=9 y=5 z=0 Center of solvent box is: -84.484571, -9.387175, 84.484571 Adding box at: x=9 y=5 z=1 Center of solvent box is: -84.484571, -9.387175, 65.710222 Adding box at: x=9 y=5 z=2 Center of solvent box is: -84.484571, -9.387175, 46.935873 Adding box at: x=9 y=5 z=3 Center of solvent box is: -84.484571, -9.387175, 28.161524 Adding box at: x=9 y=5 z=4 Center of solvent box is: -84.484571, -9.387175, 9.387175 Adding box at: x=9 y=5 z=5 Center of solvent box is: -84.484571, -9.387175, -9.387175 Adding box at: x=9 y=5 z=6 Center of solvent box is: -84.484571, -9.387175, -28.161524 Adding box at: x=9 y=5 z=7 Center of solvent box is: -84.484571, -9.387175, -46.935873 Adding box at: x=9 y=5 z=8 Center of solvent box is: -84.484571, -9.387175, -65.710222 Adding box at: x=9 y=5 z=9 Center of solvent box is: -84.484571, -9.387175, -84.484571 Adding box at: x=9 y=6 z=0 Center of solvent box is: -84.484571, -28.161524, 84.484571 Adding box at: x=9 y=6 z=1 Center of solvent box is: -84.484571, -28.161524, 65.710222 Adding box at: x=9 y=6 z=2 Center of solvent box is: -84.484571, -28.161524, 46.935873 Adding box at: x=9 y=6 z=3 Center of solvent box is: -84.484571, -28.161524, 28.161524 Adding box at: x=9 y=6 z=4 Center of solvent box is: -84.484571, -28.161524, 9.387175 Adding box at: x=9 y=6 z=5 Center of solvent box is: -84.484571, -28.161524, -9.387175 Adding box at: x=9 y=6 z=6 Center of solvent box is: -84.484571, -28.161524, -28.161524 Adding box at: x=9 y=6 z=7 Center of solvent box is: -84.484571, -28.161524, -46.935873 Adding box at: x=9 y=6 z=8 Center of solvent box is: -84.484571, -28.161524, -65.710222 Adding box at: x=9 y=6 z=9 Center of solvent box is: -84.484571, -28.161524, -84.484571 Adding box at: x=9 y=7 z=0 Center of solvent box is: -84.484571, -46.935873, 84.484571 Adding box at: x=9 y=7 z=1 Center of solvent box is: -84.484571, -46.935873, 65.710222 Adding box at: x=9 y=7 z=2 Center of solvent box is: -84.484571, -46.935873, 46.935873 Adding box at: x=9 y=7 z=3 Center of solvent box is: -84.484571, -46.935873, 28.161524 Adding box at: x=9 y=7 z=4 Center of solvent box is: -84.484571, -46.935873, 9.387175 Adding box at: x=9 y=7 z=5 Center of solvent box is: -84.484571, -46.935873, -9.387175 Adding box at: x=9 y=7 z=6 Center of solvent box is: -84.484571, -46.935873, -28.161524 Adding box at: x=9 y=7 z=7 Center of solvent box is: -84.484571, -46.935873, -46.935873 Adding box at: x=9 y=7 z=8 Center of solvent box is: -84.484571, -46.935873, -65.710222 Adding box at: x=9 y=7 z=9 Center of solvent box is: -84.484571, -46.935873, -84.484571 Adding box at: x=9 y=8 z=0 Center of solvent box is: -84.484571, -65.710222, 84.484571 Adding box at: x=9 y=8 z=1 Center of solvent box is: -84.484571, -65.710222, 65.710222 Adding box at: x=9 y=8 z=2 Center of solvent box is: -84.484571, -65.710222, 46.935873 Adding box at: x=9 y=8 z=3 Center of solvent box is: -84.484571, -65.710222, 28.161524 Adding box at: x=9 y=8 z=4 Center of solvent box is: -84.484571, -65.710222, 9.387175 Adding box at: x=9 y=8 z=5 Center of solvent box is: -84.484571, -65.710222, -9.387175 Adding box at: x=9 y=8 z=6 Center of solvent box is: -84.484571, -65.710222, -28.161524 Adding box at: x=9 y=8 z=7 Center of solvent box is: -84.484571, -65.710222, -46.935873 Adding box at: x=9 y=8 z=8 Center of solvent box is: -84.484571, -65.710222, -65.710222 Adding box at: x=9 y=8 z=9 Center of solvent box is: -84.484571, -65.710222, -84.484571 Adding box at: x=9 y=9 z=0 Center of solvent box is: -84.484571, -84.484571, 84.484571 Adding box at: x=9 y=9 z=1 Center of solvent box is: -84.484571, -84.484571, 65.710222 Adding box at: x=9 y=9 z=2 Center of solvent box is: -84.484571, -84.484571, 46.935873 Adding box at: x=9 y=9 z=3 Center of solvent box is: -84.484571, -84.484571, 28.161524 Adding box at: x=9 y=9 z=4 Center of solvent box is: -84.484571, -84.484571, 9.387175 Adding box at: x=9 y=9 z=5 Center of solvent box is: -84.484571, -84.484571, -9.387175 Adding box at: x=9 y=9 z=6 Center of solvent box is: -84.484571, -84.484571, -28.161524 Adding box at: x=9 y=9 z=7 Center of solvent box is: -84.484571, -84.484571, -46.935873 Adding box at: x=9 y=9 z=8 Center of solvent box is: -84.484571, -84.484571, -65.710222 Adding box at: x=9 y=9 z=9 Center of solvent box is: -84.484571, -84.484571, -84.484571 Volume: 6442630.375 A^3 Total mass 3532569.968 amu, Density 0.911 g/cc Added 192939 residues. > addIonsRand protein Na+ 0 4 Na+ ions required to neutralize. Adding 4 counter ions to "protein". 192935 solvent molecules will remain. 0: Placed Na+ in protein at (-48.20, 86.25, 54.30). 0: Placed Na+ in protein at (-45.23, 71.04, -49.78). 0: Placed Na+ in protein at (86.88, 73.74, -41.85). 0: Placed Na+ in protein at (-76.18, -45.42, -37.03). > saveamberparm protein complex_BG6.prmtop complex_BG6.inpcrd Checking Unit. Building topology. Building atom parameters. Building bond parameters. Building angle parameters. Building proper torsion parameters. Building improper torsion parameters. ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 ** Warning: No sp2 improper torsion term for C*-CN-CB-CA atoms are: CG CE2 CD2 CE3 ** Warning: No sp2 improper torsion term for NA-CA-CN-CB atoms are: NE1 CZ2 CE2 CD2 old PREP-specified impropers: total 1637 improper torsions applied 0 improper torsions in old prep form Building H-Bond parameters. Incorporating Non-Bonded adjustments. Not Marking per-residue atom chain types. Marking per-residue atom chain types. (Residues lacking connect0/connect1 - these don't have chain types marked: res total affected CLEU 1 NVAL 1 WAT 192935 ) (no restraints) > quit Quit