log started: Sun Jun 9 14:49:17 2024 Log file: ./leap.log >> # >> # ----- leaprc for loading the ff19SB 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" } >> { "XC" "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. >> # >> set default cmap on >> parm19 = loadamberparams parm19.dat Loading parameters: /home/juliyan/Desktop/amber20_src/dat/leap/parm/parm19.dat Reading title: PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA + ff19SB (UNKNOWN ATOM TYPE: Zn) (UNKNOWN ATOM TYPE: EP) >> frcmod19SB = loadamberparams frcmod.ff19SB Loading parameters: /home/juliyan/Desktop/amber20_src/dat/leap/parm/frcmod.ff19SB Reading force field modification type file (frcmod) Reading title: ff19SB AA-specific backbone CMAPs for protein 07/25/2019 >> # >> # Load main chain and terminating amino acid libraries >> # >> loadOff amino19.lib Loading library: /home/juliyan/Desktop/amber20_src/dat/leap/lib/amino19.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/juliyan/Desktop/amber20_src/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/juliyan/Desktop/amber20_src/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" "NHYP" } { 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.gaff ----- Source: /home/juliyan/Desktop/amber20_src/dat/leap/cmd/leaprc.gaff ----- Source of /home/juliyan/Desktop/amber20_src/dat/leap/cmd/leaprc.gaff done >> logFile leap.log log started: Sun Jun 9 14:49:21 2024 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" } >> { "op" "O" "sp3" } >> { "oq" "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" } >> { "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" } >> { "na" "N" "sp2" } >> { "nb" "N" "sp2" } >> { "nc" "N" "sp2" } >> { "nd" "N" "sp2" } >> { "ne" "N" "sp2" } >> { "nf" "N" "sp2" } >> { "nh" "N" "sp2" } >> { "ni" "N" "sp2" } >> { "nj" "N" "sp2" } >> { "nk" "N" "sp3" } >> { "nl" "N" "sp3" } >> { "nm" "N" "sp2" } >> { "nn" "N" "sp2" } >> { "no" "N" "sp2" } >> { "np" "N" "sp3" } >> { "nq" "N" "sp3" } >> { "s" "S" "sp2" } >> { "s2" "S" "sp2" } >> { "s3" "S" "sp3" } >> { "s4" "S" "sp3" } >> { "s6" "S" "sp3" } >> { "sh" "S" "sp3" } >> { "sp" "S" "sp3" } >> { "sq" "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 gaff.dat Loading parameters: /home/juliyan/Desktop/amber20_src/dat/leap/parm/gaff.dat Reading title: AMBER General Force Field for organic molecules (Version 1.81, May 2017) > > source leaprc.water.tip3p ----- Source: /home/juliyan/Desktop/amber20_src/dat/leap/cmd/leaprc.water.tip3p ----- Source of /home/juliyan/Desktop/amber20_src/dat/leap/cmd/leaprc.water.tip3p done >> # >> # Load water and ions for TIP3P + Li/Merz monovalent ions >> # + Joung-Chetham monovalent ions >> # + Li/Merz highly charged ions (+2 to +4, 12-6 normal usage set) >> # >> # Note: the Li/Merz monovalent set is loaded only to get Tl+, >> # Cu+, Ag+ NH4+, H3O+. Since we load Joung-Cheatham second, >> # the alkali halide parameters come from the Joung-Cheatham 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" } >> { "NH4+" "N" "sp3" } >> { "H3O+" "O" "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/juliyan/Desktop/amber20_src/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/juliyan/Desktop/amber20_src/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/juliyan/Desktop/amber20_src/dat/leap/parm/frcmod.tip3p Reading force field modification type file (frcmod) Reading title: This is the additional/replacement parameter set for TIP3P water >> loadAmberParams frcmod.ions1lm_126_tip3p Loading parameters: /home/juliyan/Desktop/amber20_src/dat/leap/parm/frcmod.ions1lm_126_tip3p Reading force field modification type file (frcmod) Reading title: Li/Merz ion parameters of monovalent ions for TIP3P water model (12-6 normal usage set) >> loadAmberParams frcmod.ionsjc_tip3p Loading parameters: /home/juliyan/Desktop/amber20_src/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/juliyan/Desktop/amber20_src/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) >> > > loadamberparams frcmod.ionsjc_tip3p Loading parameters: /home/juliyan/Desktop/amber20_src/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) > loadamberprep cgu.prepin Loading Prep file: ./cgu.prepin Loaded UNIT: CGU > loadamberparams frcmod2.cgu Loading parameters: ./frcmod2.cgu Reading force field modification type file (frcmod) Reading title: Remark line goes here > loadamberparams frcmod1.cgu Loading parameters: ./frcmod1.cgu Reading force field modification type file (frcmod) Reading title: Remark line goes here > mgp = loadpdb mgp_cgu.pdb Loading PDB file: ./mgp_cgu.pdb (starting new molecule for chain D) (starting new molecule for chain E) Matching PDB residue names to LEaP variables. Mapped residue MET, term: Terminal/beginning, seq. number: 0 to: NMET. Mapped residue LYS, term: Terminal/last, seq. number: 102 to: CLYS. Mapped residue MET, term: Terminal/beginning, seq. number: 103 to: NMET. Mapped residue LYS, term: Terminal/last, seq. number: 205 to: CLYS. Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HE within residue: .R Created a new atom named: 2HE within residue: .R Created a new atom named: 3HE within residue: .R Created a new atom named: 1H within residue: .R Created a new atom named: 2H within residue: .R Created a new atom named: 3H within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HE within residue: .R Created a new atom named: 2HE within residue: .R Created a new atom named: 1HZ within residue: .R Created a new atom named: 2HZ within residue: .R Created a new atom named: 3HZ within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 3HB within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 3HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 3HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 3HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HE within residue: .R Created a new atom named: 2HE within residue: .R Created a new atom named: 3HE within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 3HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 3HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HE within residue: .R Created a new atom named: 2HE within residue: .R Created a new atom named: 1HZ within residue: .R Created a new atom named: 2HZ within residue: .R Created a new atom named: 3HZ within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: HN within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: HN within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HE within residue: .R Created a new atom named: 2HE within residue: .R Created a new atom named: 1HZ within residue: .R Created a new atom named: 2HZ within residue: .R Created a new atom named: 3HZ within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: HN within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: HN within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 3HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 3HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HE within residue: .R Created a new atom named: 2HE within residue: .R Created a new atom named: 3HE within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HA within residue: .R Created a new atom named: 2HA within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 3HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 3HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HE within residue: .R Created a new atom named: 2HE within residue: .R Created a new atom named: 1HZ within residue: .R Created a new atom named: 2HZ within residue: .R Created a new atom named: 3HZ within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HA within residue: .R Created a new atom named: 2HA within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HE within residue: .R Created a new atom named: 2HE within residue: .R Created a new atom named: 1HZ within residue: .R Created a new atom named: 2HZ within residue: .R Created a new atom named: 3HZ within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HE within residue: .R Created a new atom named: 2HE within residue: .R Created a new atom named: 3HE within residue: .R Created a new atom named: 1H within residue: .R Created a new atom named: 2H within residue: .R Created a new atom named: 3H within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HE within residue: .R Created a new atom named: 2HE within residue: .R Created a new atom named: 1HZ within residue: .R Created a new atom named: 2HZ within residue: .R Created a new atom named: 3HZ within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 3HB within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 3HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 3HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 3HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HE within residue: .R Created a new atom named: 2HE within residue: .R Created a new atom named: 3HE within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 3HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 3HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HE within residue: .R Created a new atom named: 2HE within residue: .R Created a new atom named: 1HZ within residue: .R Created a new atom named: 2HZ within residue: .R Created a new atom named: 3HZ within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: HN within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: HG11 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: HN within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HE within residue: .R Created a new atom named: 2HE within residue: .R Created a new atom named: 1HZ within residue: .R Created a new atom named: 2HZ within residue: .R Created a new atom named: 3HZ within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: HN within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: HN within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 3HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: HG1 within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 3HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HE within residue: .R Created a new atom named: 2HE within residue: .R Created a new atom named: 3HE within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HA within residue: .R Created a new atom named: 2HA within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 3HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 3HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HE within residue: .R Created a new atom named: 2HE within residue: .R Created a new atom named: 1HZ within residue: .R Created a new atom named: 2HZ within residue: .R Created a new atom named: 3HZ within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HA within residue: .R Created a new atom named: 2HA within residue: .R Created a new atom named: 1HB within residue: .R Created a new atom named: 2HB within residue: .R Created a new atom named: 1HG within residue: .R Created a new atom named: 2HG within residue: .R Created a new atom named: 1HD within residue: .R Created a new atom named: 2HD within residue: .R Created a new atom named: 1HE within residue: .R Created a new atom named: 2HE within residue: .R Created a new atom named: 1HZ within residue: .R Created a new atom named: 2HZ within residue: .R Created a new atom named: 3HZ within residue: .R total atoms in file: 3465 Leap added 726 missing atoms according to residue templates: 726 H / lone pairs The file contained 702 atoms not in residue templates > check mgp Checking 'mgp'.... Warning: The unperturbed charge of the unit (14.000008) is not zero. FATAL: Atom .R.A<1HB 20> does not have a type. FATAL: Atom .R.A<2HB 21> does not have a type. FATAL: Atom .R.A<1HG 22> does not have a type. FATAL: Atom .R.A<2HG 23> does not have a type. FATAL: Atom .R.A<1HE 24> does not have a type. FATAL: Atom .R.A<2HE 25> does not have a type. FATAL: Atom .R.A<3HE 26> does not have a type. FATAL: Atom .R.A<1H 27> does not have a type. FATAL: Atom .R.A<2H 28> does not have a type. FATAL: Atom .R.A<3H 29> does not have a type. FATAL: Atom .R.A<1HB 23> does not have a type. FATAL: Atom .R.A<2HB 24> does not have a type. FATAL: Atom .R.A<1HG 25> does not have a type. FATAL: Atom .R.A<2HG 26> does not have a type. FATAL: Atom .R.A<1HD 27> does not have a type. FATAL: Atom .R.A<2HD 28> does not have a type. FATAL: Atom .R.A<1HE 29> does not have a type. FATAL: Atom .R.A<2HE 30> does not have a type. FATAL: Atom .R.A<1HZ 31> does not have a type. FATAL: Atom .R.A<2HZ 32> does not have a type. FATAL: Atom .R.A<3HZ 33> does not have a type. FATAL: Atom .R.A<1HB 12> does not have a type. FATAL: Atom .R.A<2HB 13> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 20> does not have a type. FATAL: Atom .R.A<2HB 21> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 20> does not have a type. FATAL: Atom .R.A<2HB 21> does not have a type. FATAL: Atom .R.A<1HB 20> does not have a type. FATAL: Atom .R.A<2HB 21> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A<3HB 13> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 20> does not have a type. FATAL: Atom .R.A<2HB 21> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A<3HB 13> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A<3HB 13> does not have a type. FATAL: Atom .R.A<1HB 20> does not have a type. FATAL: Atom .R.A<2HB 21> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A<3HB 13> does not have a type. FATAL: Atom .R.A<1HB 20> does not have a type. FATAL: Atom .R.A<2HB 21> does not have a type. FATAL: Atom .R.A<1HB 12> does not have a type. FATAL: Atom .R.A<2HB 13> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 22> does not have a type. FATAL: Atom .R.A<2HB 23> does not have a type. FATAL: Atom .R.A<1HB 16> does not have a type. FATAL: Atom .R.A<2HB 17> does not have a type. FATAL: Atom .R.A<1HG 18> does not have a type. FATAL: Atom .R.A<2HG 19> does not have a type. FATAL: Atom .R.A<1HB 12> does not have a type. FATAL: Atom .R.A<2HB 13> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 16> does not have a type. FATAL: Atom .R.A<2HB 17> does not have a type. FATAL: Atom .R.A<1HG 18> does not have a type. FATAL: Atom .R.A<2HG 19> does not have a type. FATAL: Atom .R.A<1HB 12> does not have a type. FATAL: Atom .R.A<2HB 13> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 18> does not have a type. FATAL: Atom .R.A<2HB 19> does not have a type. FATAL: Atom .R.A<1HG 20> does not have a type. FATAL: Atom .R.A<2HG 21> does not have a type. FATAL: Atom .R.A<1HE 22> does not have a type. FATAL: Atom .R.A<2HE 23> does not have a type. FATAL: Atom .R.A<3HE 24> does not have a type. FATAL: Atom .R.A<1HB 16> does not have a type. FATAL: Atom .R.A<2HB 17> does not have a type. FATAL: Atom .R.A<1HG 18> does not have a type. FATAL: Atom .R.A<2HG 19> does not have a type. FATAL: Atom .R.A<1HB 12> does not have a type. FATAL: Atom .R.A<2HB 13> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 22> does not have a type. FATAL: Atom .R.A<2HB 23> does not have a type. FATAL: Atom .R.A<1HB 16> does not have a type. FATAL: Atom .R.A<2HB 17> does not have a type. FATAL: Atom .R.A<1HG 18> does not have a type. FATAL: Atom .R.A<2HG 19> does not have a type. FATAL: Atom .R.A<1HB 20> does not have a type. FATAL: Atom .R.A<2HB 21> does not have a type. FATAL: Atom .R.A<1HB 15> does not have a type. FATAL: Atom .R.A<2HB 16> does not have a type. FATAL: Atom .R.A<1HB 15> does not have a type. FATAL: Atom .R.A<2HB 16> does not have a type. FATAL: Atom .R.A<1HG 17> does not have a type. FATAL: Atom .R.A<2HG 18> does not have a type. FATAL: Atom .R.A<1HD 19> does not have a type. FATAL: Atom .R.A<2HD 20> does not have a type. FATAL: Atom .R.A<1HB 21> does not have a type. FATAL: Atom .R.A<2HB 22> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 15> does not have a type. FATAL: Atom .R.A<2HB 16> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HB 15> does not have a type. FATAL: Atom .R.A<2HB 16> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A<3HB 13> does not have a type. FATAL: Atom .R.A<1HB 15> does not have a type. FATAL: Atom .R.A<2HB 16> does not have a type. FATAL: Atom .R.A<1HB 21> does not have a type. FATAL: Atom .R.A<2HB 22> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 12> does not have a type. FATAL: Atom .R.A<2HB 13> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 15> does not have a type. FATAL: Atom .R.A<2HB 16> does not have a type. FATAL: Atom .R.A<1HG 17> does not have a type. FATAL: Atom .R.A<2HG 18> does not have a type. FATAL: Atom .R.A<1HD 19> does not have a type. FATAL: Atom .R.A<2HD 20> does not have a type. FATAL: Atom .R.A<1HB 18> does not have a type. FATAL: Atom .R.A<2HB 19> does not have a type. FATAL: Atom .R.A<1HG 20> does not have a type. FATAL: Atom .R.A<2HG 21> does not have a type. FATAL: Atom .R.A<1HB 18> does not have a type. FATAL: Atom .R.A<2HB 19> does not have a type. FATAL: Atom .R.A<1HG 20> does not have a type. FATAL: Atom .R.A<2HG 21> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A<3HB 13> does not have a type. FATAL: Atom .R.A<1HB 23> does not have a type. FATAL: Atom .R.A<2HB 24> does not have a type. FATAL: Atom .R.A<1HG 25> does not have a type. FATAL: Atom .R.A<2HG 26> does not have a type. FATAL: Atom .R.A<1HD 27> does not have a type. FATAL: Atom .R.A<2HD 28> does not have a type. FATAL: Atom .R.A<1HE 29> does not have a type. FATAL: Atom .R.A<2HE 30> does not have a type. FATAL: Atom .R.A<1HZ 31> does not have a type. FATAL: Atom .R.A<2HZ 32> does not have a type. FATAL: Atom .R.A<3HZ 33> does not have a type. FATAL: Atom .R.A<1HB 18> does not have a type. FATAL: Atom .R.A<2HB 19> does not have a type. FATAL: Atom .R.A<1HG 20> does not have a type. FATAL: Atom .R.A<2HG 21> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 19> does not have a type. FATAL: Atom .R.A<2HB 20> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 19> does not have a type. FATAL: Atom .R.A<2HB 20> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HB 12> does not have a type. FATAL: Atom .R.A<2HB 13> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 23> does not have a type. FATAL: Atom .R.A<2HB 24> does not have a type. FATAL: Atom .R.A<1HG 25> does not have a type. FATAL: Atom .R.A<2HG 26> does not have a type. FATAL: Atom .R.A<1HD 27> does not have a type. FATAL: Atom .R.A<2HD 28> does not have a type. FATAL: Atom .R.A<1HE 29> does not have a type. FATAL: Atom .R.A<2HE 30> does not have a type. FATAL: Atom .R.A<1HZ 31> does not have a type. FATAL: Atom .R.A<2HZ 32> does not have a type. FATAL: Atom .R.A<3HZ 33> does not have a type. FATAL: Atom .R.A<1HB 15> does not have a type. FATAL: Atom .R.A<2HB 16> does not have a type. FATAL: Atom .R.A<1HG 17> does not have a type. FATAL: Atom .R.A<2HG 18> does not have a type. FATAL: Atom .R.A<1HD 19> does not have a type. FATAL: Atom .R.A<2HD 20> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 19> does not have a type. FATAL: Atom .R.A<2HB 20> does not have a type. FATAL: Atom .R.A<1HB 20> does not have a type. FATAL: Atom .R.A<2HB 21> does not have a type. FATAL: Atom .R.A<1HB 15> does not have a type. FATAL: Atom .R.A<2HB 16> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 19> does not have a type. FATAL: Atom .R.A<2HB 20> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A<3HB 13> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 13> does not have a type. FATAL: Atom .R.A<2HB 14> does not have a type. FATAL: Atom .R.A<1HB 13> does not have a type. FATAL: Atom .R.A<2HB 14> does not have a type. FATAL: Atom .R.A<1HB 22> does not have a type. FATAL: Atom .R.A<2HB 23> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HB 20> does not have a type. FATAL: Atom .R.A<2HB 21> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 16> does not have a type. FATAL: Atom .R.A<2HB 17> does not have a type. FATAL: Atom .R.A<1HG 18> does not have a type. FATAL: Atom .R.A<2HG 19> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HB 22> does not have a type. FATAL: Atom .R.A<2HB 23> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A<3HB 13> does not have a type. FATAL: Atom .R.A<1HB 18> does not have a type. FATAL: Atom .R.A<2HB 19> does not have a type. FATAL: Atom .R.A<1HG 20> does not have a type. FATAL: Atom .R.A<2HG 21> does not have a type. FATAL: Atom .R.A<1HE 22> does not have a type. FATAL: Atom .R.A<2HE 23> does not have a type. FATAL: Atom .R.A<3HE 24> does not have a type. FATAL: Atom .R.A<1HB 22> does not have a type. FATAL: Atom .R.A<2HB 23> does not have a type. FATAL: Atom .R.A<1HA 8> does not have a type. FATAL: Atom .R.A<2HA 9> does not have a type. FATAL: Atom .R.A<1HB 22> does not have a type. FATAL: Atom .R.A<2HB 23> does not have a type. FATAL: Atom .R.A<1HB 15> does not have a type. FATAL: Atom .R.A<2HB 16> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A<3HB 13> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A<3HB 13> does not have a type. FATAL: Atom .R.A<1HB 22> does not have a type. FATAL: Atom .R.A<2HB 23> does not have a type. FATAL: Atom .R.A<1HB 15> does not have a type. FATAL: Atom .R.A<2HB 16> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HB 22> does not have a type. FATAL: Atom .R.A<2HB 23> does not have a type. FATAL: Atom .R.A<1HB 21> does not have a type. FATAL: Atom .R.A<2HB 22> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HB 23> does not have a type. FATAL: Atom .R.A<2HB 24> does not have a type. FATAL: Atom .R.A<1HG 25> does not have a type. FATAL: Atom .R.A<2HG 26> does not have a type. FATAL: Atom .R.A<1HD 27> does not have a type. FATAL: Atom .R.A<2HD 28> does not have a type. FATAL: Atom .R.A<1HE 29> does not have a type. FATAL: Atom .R.A<2HE 30> does not have a type. FATAL: Atom .R.A<1HZ 31> does not have a type. FATAL: Atom .R.A<2HZ 32> does not have a type. FATAL: Atom .R.A<3HZ 33> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HA 8> does not have a type. FATAL: Atom .R.A<2HA 9> does not have a type. FATAL: Atom .R.A<1HB 24> does not have a type. FATAL: Atom .R.A<2HB 25> does not have a type. FATAL: Atom .R.A<1HG 26> does not have a type. FATAL: Atom .R.A<2HG 27> does not have a type. FATAL: Atom .R.A<1HD 28> does not have a type. FATAL: Atom .R.A<2HD 29> does not have a type. FATAL: Atom .R.A<1HE 30> does not have a type. FATAL: Atom .R.A<2HE 31> does not have a type. FATAL: Atom .R.A<1HZ 32> does not have a type. FATAL: Atom .R.A<2HZ 33> does not have a type. FATAL: Atom .R.A<3HZ 34> does not have a type. FATAL: Atom .R.A<1HB 20> does not have a type. FATAL: Atom .R.A<2HB 21> does not have a type. FATAL: Atom .R.A<1HG 22> does not have a type. FATAL: Atom .R.A<2HG 23> does not have a type. FATAL: Atom .R.A<1HE 24> does not have a type. FATAL: Atom .R.A<2HE 25> does not have a type. FATAL: Atom .R.A<3HE 26> does not have a type. FATAL: Atom .R.A<1H 27> does not have a type. FATAL: Atom .R.A<2H 28> does not have a type. FATAL: Atom .R.A<3H 29> does not have a type. FATAL: Atom .R.A<1HB 23> does not have a type. FATAL: Atom .R.A<2HB 24> does not have a type. FATAL: Atom .R.A<1HG 25> does not have a type. FATAL: Atom .R.A<2HG 26> does not have a type. FATAL: Atom .R.A<1HD 27> does not have a type. FATAL: Atom .R.A<2HD 28> does not have a type. FATAL: Atom .R.A<1HE 29> does not have a type. FATAL: Atom .R.A<2HE 30> does not have a type. FATAL: Atom .R.A<1HZ 31> does not have a type. FATAL: Atom .R.A<2HZ 32> does not have a type. FATAL: Atom .R.A<3HZ 33> does not have a type. FATAL: Atom .R.A<1HB 12> does not have a type. FATAL: Atom .R.A<2HB 13> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 20> does not have a type. FATAL: Atom .R.A<2HB 21> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 20> does not have a type. FATAL: Atom .R.A<2HB 21> does not have a type. FATAL: Atom .R.A<1HB 20> does not have a type. FATAL: Atom .R.A<2HB 21> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A<3HB 13> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 20> does not have a type. FATAL: Atom .R.A<2HB 21> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A<3HB 13> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A<3HB 13> does not have a type. FATAL: Atom .R.A<1HB 20> does not have a type. FATAL: Atom .R.A<2HB 21> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A<3HB 13> does not have a type. FATAL: Atom .R.A<1HB 20> does not have a type. FATAL: Atom .R.A<2HB 21> does not have a type. FATAL: Atom .R.A<1HB 12> does not have a type. FATAL: Atom .R.A<2HB 13> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 22> does not have a type. FATAL: Atom .R.A<2HB 23> does not have a type. FATAL: Atom .R.A<1HB 16> does not have a type. FATAL: Atom .R.A<2HB 17> does not have a type. FATAL: Atom .R.A<1HG 18> does not have a type. FATAL: Atom .R.A<2HG 19> does not have a type. FATAL: Atom .R.A<1HB 12> does not have a type. FATAL: Atom .R.A<2HB 13> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 16> does not have a type. FATAL: Atom .R.A<2HB 17> does not have a type. FATAL: Atom .R.A<1HG 18> does not have a type. FATAL: Atom .R.A<2HG 19> does not have a type. FATAL: Atom .R.A<1HB 12> does not have a type. FATAL: Atom .R.A<2HB 13> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 18> does not have a type. FATAL: Atom .R.A<2HB 19> does not have a type. FATAL: Atom .R.A<1HG 20> does not have a type. FATAL: Atom .R.A<2HG 21> does not have a type. FATAL: Atom .R.A<1HE 22> does not have a type. FATAL: Atom .R.A<2HE 23> does not have a type. FATAL: Atom .R.A<3HE 24> does not have a type. FATAL: Atom .R.A<1HB 16> does not have a type. FATAL: Atom .R.A<2HB 17> does not have a type. FATAL: Atom .R.A<1HG 18> does not have a type. FATAL: Atom .R.A<2HG 19> does not have a type. FATAL: Atom .R.A<1HB 12> does not have a type. FATAL: Atom .R.A<2HB 13> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 22> does not have a type. FATAL: Atom .R.A<2HB 23> does not have a type. FATAL: Atom .R.A<1HB 16> does not have a type. FATAL: Atom .R.A<2HB 17> does not have a type. FATAL: Atom .R.A<1HG 18> does not have a type. FATAL: Atom .R.A<2HG 19> does not have a type. FATAL: Atom .R.A<1HB 20> does not have a type. FATAL: Atom .R.A<2HB 21> does not have a type. FATAL: Atom .R.A<1HB 15> does not have a type. FATAL: Atom .R.A<2HB 16> does not have a type. FATAL: Atom .R.A<1HB 15> does not have a type. FATAL: Atom .R.A<2HB 16> does not have a type. FATAL: Atom .R.A<1HG 17> does not have a type. FATAL: Atom .R.A<2HG 18> does not have a type. FATAL: Atom .R.A<1HD 19> does not have a type. FATAL: Atom .R.A<2HD 20> does not have a type. FATAL: Atom .R.A<1HB 21> does not have a type. FATAL: Atom .R.A<2HB 22> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 15> does not have a type. FATAL: Atom .R.A<2HB 16> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HB 15> does not have a type. FATAL: Atom .R.A<2HB 16> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A<3HB 13> does not have a type. FATAL: Atom .R.A<1HB 15> does not have a type. FATAL: Atom .R.A<2HB 16> does not have a type. FATAL: Atom .R.A<1HB 21> does not have a type. FATAL: Atom .R.A<2HB 22> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 12> does not have a type. FATAL: Atom .R.A<2HB 13> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 15> does not have a type. FATAL: Atom .R.A<2HB 16> does not have a type. FATAL: Atom .R.A<1HG 17> does not have a type. FATAL: Atom .R.A<2HG 18> does not have a type. FATAL: Atom .R.A<1HD 19> does not have a type. FATAL: Atom .R.A<2HD 20> does not have a type. FATAL: Atom .R.A<1HB 18> does not have a type. FATAL: Atom .R.A<2HB 19> does not have a type. FATAL: Atom .R.A<1HG 20> does not have a type. FATAL: Atom .R.A<2HG 21> does not have a type. FATAL: Atom .R.A<1HB 18> does not have a type. FATAL: Atom .R.A<2HB 19> does not have a type. FATAL: Atom .R.A<1HG 20> does not have a type. FATAL: Atom .R.A<2HG 21> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A<3HB 13> does not have a type. FATAL: Atom .R.A<1HB 23> does not have a type. FATAL: Atom .R.A<2HB 24> does not have a type. FATAL: Atom .R.A<1HG 25> does not have a type. FATAL: Atom .R.A<2HG 26> does not have a type. FATAL: Atom .R.A<1HD 27> does not have a type. FATAL: Atom .R.A<2HD 28> does not have a type. FATAL: Atom .R.A<1HE 29> does not have a type. FATAL: Atom .R.A<2HE 30> does not have a type. FATAL: Atom .R.A<1HZ 31> does not have a type. FATAL: Atom .R.A<2HZ 32> does not have a type. FATAL: Atom .R.A<3HZ 33> does not have a type. FATAL: Atom .R.A<1HB 18> does not have a type. FATAL: Atom .R.A<2HB 19> does not have a type. FATAL: Atom .R.A<1HG 20> does not have a type. FATAL: Atom .R.A<2HG 21> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 19> does not have a type. FATAL: Atom .R.A<2HB 20> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 19> does not have a type. FATAL: Atom .R.A<2HB 20> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HB 12> does not have a type. FATAL: Atom .R.A<2HB 13> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 23> does not have a type. FATAL: Atom .R.A<2HB 24> does not have a type. FATAL: Atom .R.A<1HG 25> does not have a type. FATAL: Atom .R.A<2HG 26> does not have a type. FATAL: Atom .R.A<1HD 27> does not have a type. FATAL: Atom .R.A<2HD 28> does not have a type. FATAL: Atom .R.A<1HE 29> does not have a type. FATAL: Atom .R.A<2HE 30> does not have a type. FATAL: Atom .R.A<1HZ 31> does not have a type. FATAL: Atom .R.A<2HZ 32> does not have a type. FATAL: Atom .R.A<3HZ 33> does not have a type. FATAL: Atom .R.A<1HB 15> does not have a type. FATAL: Atom .R.A<2HB 16> does not have a type. FATAL: Atom .R.A<1HG 17> does not have a type. FATAL: Atom .R.A<2HG 18> does not have a type. FATAL: Atom .R.A<1HD 19> does not have a type. FATAL: Atom .R.A<2HD 20> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 19> does not have a type. FATAL: Atom .R.A<2HB 20> does not have a type. FATAL: Atom .R.A<1HB 20> does not have a type. FATAL: Atom .R.A<2HB 21> does not have a type. FATAL: Atom .R.A<1HB 15> does not have a type. FATAL: Atom .R.A<2HB 16> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 19> does not have a type. FATAL: Atom .R.A<2HB 20> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A<3HB 13> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 13> does not have a type. FATAL: Atom .R.A<2HB 14> does not have a type. FATAL: Atom .R.A<1HB 13> does not have a type. FATAL: Atom .R.A<2HB 14> does not have a type. FATAL: Atom .R.A<1HB 22> does not have a type. FATAL: Atom .R.A<2HB 23> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HB 20> does not have a type. FATAL: Atom .R.A<2HB 21> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A does not have a type. FATAL: Atom .R.A<1HB 16> does not have a type. FATAL: Atom .R.A<2HB 17> does not have a type. FATAL: Atom .R.A<1HG 18> does not have a type. FATAL: Atom .R.A<2HG 19> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HB 22> does not have a type. FATAL: Atom .R.A<2HB 23> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A<3HB 13> does not have a type. FATAL: Atom .R.A<1HB 18> does not have a type. FATAL: Atom .R.A<2HB 19> does not have a type. FATAL: Atom .R.A<1HG 20> does not have a type. FATAL: Atom .R.A<2HG 21> does not have a type. FATAL: Atom .R.A<1HE 22> does not have a type. FATAL: Atom .R.A<2HE 23> does not have a type. FATAL: Atom .R.A<3HE 24> does not have a type. FATAL: Atom .R.A<1HB 22> does not have a type. FATAL: Atom .R.A<2HB 23> does not have a type. FATAL: Atom .R.A<1HA 8> does not have a type. FATAL: Atom .R.A<2HA 9> does not have a type. FATAL: Atom .R.A<1HB 22> does not have a type. FATAL: Atom .R.A<2HB 23> does not have a type. FATAL: Atom .R.A<1HB 15> does not have a type. FATAL: Atom .R.A<2HB 16> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A<3HB 13> does not have a type. FATAL: Atom .R.A<1HB 11> does not have a type. FATAL: Atom .R.A<2HB 12> does not have a type. FATAL: Atom .R.A<3HB 13> does not have a type. FATAL: Atom .R.A<1HB 22> does not have a type. FATAL: Atom .R.A<2HB 23> does not have a type. FATAL: Atom .R.A<1HB 15> does not have a type. FATAL: Atom .R.A<2HB 16> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HB 22> does not have a type. FATAL: Atom .R.A<2HB 23> does not have a type. FATAL: Atom .R.A<1HB 21> does not have a type. FATAL: Atom .R.A<2HB 22> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HB 23> does not have a type. FATAL: Atom .R.A<2HB 24> does not have a type. FATAL: Atom .R.A<1HG 25> does not have a type. FATAL: Atom .R.A<2HG 26> does not have a type. FATAL: Atom .R.A<1HD 27> does not have a type. FATAL: Atom .R.A<2HD 28> does not have a type. FATAL: Atom .R.A<1HE 29> does not have a type. FATAL: Atom .R.A<2HE 30> does not have a type. FATAL: Atom .R.A<1HZ 31> does not have a type. FATAL: Atom .R.A<2HZ 32> does not have a type. FATAL: Atom .R.A<3HZ 33> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HB 25> does not have a type. FATAL: Atom .R.A<2HB 26> does not have a type. FATAL: Atom .R.A<1HG 27> does not have a type. FATAL: Atom .R.A<2HG 28> does not have a type. FATAL: Atom .R.A<1HD 29> does not have a type. FATAL: Atom .R.A<2HD 30> does not have a type. FATAL: Atom .R.A<1HA 8> does not have a type. FATAL: Atom .R.A<2HA 9> does not have a type. FATAL: Atom .R.A<1HB 24> does not have a type. FATAL: Atom .R.A<2HB 25> does not have a type. FATAL: Atom .R.A<1HG 26> does not have a type. FATAL: Atom .R.A<2HG 27> does not have a type. FATAL: Atom .R.A<1HD 28> does not have a type. FATAL: Atom .R.A<2HD 29> does not have a type. FATAL: Atom .R.A<1HE 30> does not have a type. FATAL: Atom .R.A<2HE 31> does not have a type. FATAL: Atom .R.A<1HZ 32> does not have a type. FATAL: Atom .R.A<2HZ 33> does not have a type. FATAL: Atom .R.A<3HZ 34> does not have a type. Warning: Close contact of 0.025 angstroms between nonbonded atoms HE3 and 2HE ------- .R.A and .R.A<2HE 25> Warning: Close contact of 0.025 angstroms between nonbonded atoms HE2 and 3HE ------- .R.A and .R.A<3HE 26> Warning: Close contact of 0.040 angstroms between nonbonded atoms HE1 and 1HE ------- .R.A and .R.A<1HE 24> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 1HE ------- .R.A and .R.A<1HE 24> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 2HE ------- .R.A and .R.A<2HE 25> Warning: Close contact of 1.110 angstroms between nonbonded atoms CE and 3HE ------- .R.A and .R.A<3HE 26> Warning: Close contact of 0.024 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 23> Warning: Close contact of 0.024 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 22> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 23> Warning: Close contact of 0.024 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.024 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 1.053 angstroms between nonbonded atoms H3 and 2H ------- .R.A

and .R.A<2H 28> Warning: Close contact of 0.906 angstroms between nonbonded atoms H3 and 3H ------- .R.A

and .R.A<3H 29> Warning: Close contact of 0.939 angstroms between nonbonded atoms H2 and 1H ------- .R.A

and .R.A<1H 27> Warning: Close contact of 1.021 angstroms between nonbonded atoms H2 and 2H ------- .R.A

and .R.A<2H 28> Warning: Close contact of 0.955 angstroms between nonbonded atoms H1 and 1H ------- .R.A

and .R.A<1H 27> Warning: Close contact of 0.987 angstroms between nonbonded atoms H1 and 3H ------- .R.A

and .R.A<3H 29> Warning: Close contact of 1.040 angstroms between nonbonded atoms N and 1H ------- .R.A and .R.A<1H 27> Warning: Close contact of 1.040 angstroms between nonbonded atoms N and 2H ------- .R.A and .R.A<2H 28> Warning: Close contact of 1.040 angstroms between nonbonded atoms N and 3H ------- .R.A and .R.A<3H 29> Warning: Close contact of 0.030 angstroms between nonbonded atoms HZ3 and 2HZ ------- .R.A and .R.A<2HZ 32> Warning: Close contact of 0.030 angstroms between nonbonded atoms HZ2 and 3HZ ------- .R.A and .R.A<3HZ 33> Warning: Close contact of 0.030 angstroms between nonbonded atoms HZ1 and 1HZ ------- .R.A and .R.A<1HZ 31> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 1HZ ------- .R.A and .R.A<1HZ 31> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 2HZ ------- .R.A and .R.A<2HZ 32> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 3HZ ------- .R.A and .R.A<3HZ 33> Warning: Close contact of 0.046 angstroms between nonbonded atoms HE3 and 2HE ------- .R.A and .R.A<2HE 30> Warning: Close contact of 0.046 angstroms between nonbonded atoms HE2 and 1HE ------- .R.A and .R.A<1HE 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 1HE ------- .R.A and .R.A<1HE 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 2HE ------- .R.A and .R.A<2HE 30> Warning: Close contact of 0.024 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 28> Warning: Close contact of 0.023 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 27> Warning: Close contact of 1.110 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 28> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 26> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 26> Warning: Close contact of 0.029 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 24> Warning: Close contact of 0.028 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 23> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 23> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 24> Warning: Close contact of 1.294 angstroms between nonbonded atoms HG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.960 angstroms between nonbonded atoms OG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.026 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.032 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.033 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.040 angstroms between nonbonded atoms HG13 and HG11 ------- .R.A and .R.A Warning: Close contact of 1.110 angstroms between nonbonded atoms CG1 and HG11 ------- .R.A and .R.A Warning: Close contact of 0.026 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.030 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.031 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.032 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.043 angstroms between nonbonded atoms HB2 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.038 angstroms between nonbonded atoms HB1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.037 angstroms between nonbonded atoms HG13 and HG11 ------- .R.A and .R.A Warning: Close contact of 1.111 angstroms between nonbonded atoms CG1 and HG11 ------- .R.A and .R.A Warning: Close contact of 0.034 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.029 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.033 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.044 angstroms between nonbonded atoms HB2 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.038 angstroms between nonbonded atoms HB1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.035 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.046 angstroms between nonbonded atoms HB2 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.041 angstroms between nonbonded atoms HB1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.035 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.028 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.035 angstroms between nonbonded atoms HB2 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.032 angstroms between nonbonded atoms HB1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.028 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.046 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 1.325 angstroms between nonbonded atoms SG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.079 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.080 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.065 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.048 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.077 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 19> Warning: Close contact of 0.049 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 18> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 19> Warning: Close contact of 0.034 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 17> Warning: Close contact of 0.034 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 16> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 16> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 17> Warning: Close contact of 1.401 angstroms between nonbonded atoms HG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.960 angstroms between nonbonded atoms OG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.026 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.032 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 19> Warning: Close contact of 0.028 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 19> Warning: Close contact of 0.030 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 17> Warning: Close contact of 0.030 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 16> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 16> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 17> Warning: Close contact of 0.960 angstroms between nonbonded atoms OG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.034 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.034 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.025 angstroms between nonbonded atoms HE3 and 2HE ------- .R.A and .R.A<2HE 23> Warning: Close contact of 0.025 angstroms between nonbonded atoms HE2 and 3HE ------- .R.A and .R.A<3HE 24> Warning: Close contact of 0.040 angstroms between nonbonded atoms HE1 and 1HE ------- .R.A and .R.A<1HE 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 1HE ------- .R.A and .R.A<1HE 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 2HE ------- .R.A and .R.A<2HE 23> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 3HE ------- .R.A and .R.A<3HE 24> Warning: Close contact of 0.028 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 21> Warning: Close contact of 0.028 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 20> Warning: Close contact of 1.109 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 20> Warning: Close contact of 1.109 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 21> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 19> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 18> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 19> Warning: Close contact of 0.047 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 19> Warning: Close contact of 0.069 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 18> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 19> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 17> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 16> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 16> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 17> Warning: Close contact of 1.341 angstroms between nonbonded atoms HG and HH22 ------- .R.A and .R.A Warning: Close contact of 0.960 angstroms between nonbonded atoms OG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.034 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.034 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.052 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.064 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.043 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 19> Warning: Close contact of 0.029 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 18> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 19> Warning: Close contact of 0.031 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 17> Warning: Close contact of 0.031 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 16> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 16> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 17> Warning: Close contact of 0.044 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.042 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.050 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.029 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.033 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 18> Warning: Close contact of 0.021 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 17> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 17> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 18> Warning: Close contact of 0.036 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 20> Warning: Close contact of 0.038 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 19> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 19> Warning: Close contact of 1.110 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 20> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 22> Warning: Close contact of 0.040 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 21> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 21> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 22> Warning: Close contact of 0.037 angstroms between nonbonded atoms HG13 and HG11 ------- .R.A and .R.A Warning: Close contact of 1.110 angstroms between nonbonded atoms CG1 and HG11 ------- .R.A and .R.A Warning: Close contact of 0.052 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.057 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.028 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.028 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.028 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.027 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.031 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.032 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.033 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.041 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.046 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.034 angstroms between nonbonded atoms HB2 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.041 angstroms between nonbonded atoms HB1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.093 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.108 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.036 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 22> Warning: Close contact of 0.061 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 21> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 21> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 22> Warning: Close contact of 0.033 angstroms between nonbonded atoms HG13 and HG11 ------- .R.A and .R.A Warning: Close contact of 1.110 angstroms between nonbonded atoms CG1 and HG11 ------- .R.A and .R.A Warning: Close contact of 1.401 angstroms between nonbonded atoms HG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.960 angstroms between nonbonded atoms OG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.025 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.034 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.032 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 18> Warning: Close contact of 0.021 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 17> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 17> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 18> Warning: Close contact of 0.033 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 20> Warning: Close contact of 0.035 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 19> Warning: Close contact of 1.110 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 19> Warning: Close contact of 1.110 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 20> Warning: Close contact of 0.028 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 21> Warning: Close contact of 0.030 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 21> Warning: Close contact of 0.033 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 19> Warning: Close contact of 0.034 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 18> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 18> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 19> Warning: Close contact of 0.024 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 21> Warning: Close contact of 0.027 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 21> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 19> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 19> Warning: Close contact of 0.025 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.025 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.110 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.028 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.067 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.047 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.029 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.028 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.034 angstroms between nonbonded atoms HB2 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.031 angstroms between nonbonded atoms HB1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.172 angstroms between nonbonded atoms HZ3 and 2HZ ------- .R.A and .R.A<2HZ 32> Warning: Close contact of 0.170 angstroms between nonbonded atoms HZ2 and 3HZ ------- .R.A and .R.A<3HZ 33> Warning: Close contact of 0.171 angstroms between nonbonded atoms HZ1 and 1HZ ------- .R.A and .R.A<1HZ 31> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 1HZ ------- .R.A and .R.A<1HZ 31> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 2HZ ------- .R.A and .R.A<2HZ 32> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 3HZ ------- .R.A and .R.A<3HZ 33> Warning: Close contact of 0.042 angstroms between nonbonded atoms HE3 and 2HE ------- .R.A and .R.A<2HE 30> Warning: Close contact of 1.219 angstroms between nonbonded atoms HE3 and OE22 ------- .R.A and .R.A Warning: Close contact of 0.042 angstroms between nonbonded atoms HE2 and 1HE ------- .R.A and .R.A<1HE 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 1HE ------- .R.A and .R.A<1HE 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 2HE ------- .R.A and .R.A<2HE 30> Warning: Close contact of 0.023 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 28> Warning: Close contact of 0.023 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 27> Warning: Close contact of 1.112 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 26> Warning: Close contact of 0.021 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 26> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 24> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 23> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 23> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 24> Warning: Close contact of 1.187 angstroms between nonbonded atoms 2HE and OE22 ------- .R.A<2HE 30> and .R.A Warning: Close contact of 0.026 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 21> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 21> Warning: Close contact of 0.030 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 19> Warning: Close contact of 0.029 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 18> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 19> Warning: Close contact of 0.038 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 20> Warning: Close contact of 0.031 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 19> Warning: Close contact of 0.575 angstroms between nonbonded atoms OE11 and OE21 ------- .R.A and .R.A Warning: Close contact of 1.239 angstroms between nonbonded atoms OE11 and CD2 ------- .R.A and .R.A Warning: Close contact of 1.324 angstroms between nonbonded atoms CD1 and OE21 ------- .R.A and .R.A Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 19> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 20> Warning: Close contact of 1.008 angstroms between nonbonded atoms H and HN ------- .R.A and .R.A Warning: Close contact of 0.997 angstroms between nonbonded atoms N and HN ------- .R.A and .R.A Warning: Close contact of 0.023 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.023 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.036 angstroms between nonbonded atoms HG13 and HG11 ------- .R.A and .R.A Warning: Close contact of 1.111 angstroms between nonbonded atoms CG1 and HG11 ------- .R.A and .R.A Warning: Close contact of 1.402 angstroms between nonbonded atoms HH12 and HA ------- .R.A and .R.A Warning: Close contact of 0.030 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.030 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.035 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.034 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 1.380 angstroms between nonbonded atoms HA and HE3 ------- .R.A and .R.A Warning: Close contact of 1.392 angstroms between nonbonded atoms HA and 2HE ------- .R.A and .R.A<2HE 30> Warning: Close contact of 0.028 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 20> Warning: Close contact of 0.023 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 19> Warning: Close contact of 1.395 angstroms between nonbonded atoms OE22 and HE3 ------- .R.A and .R.A Warning: Close contact of 1.365 angstroms between nonbonded atoms OE22 and 2HE ------- .R.A and .R.A<2HE 30> Warning: Close contact of 1.422 angstroms between nonbonded atoms OE22 and 2HZ ------- .R.A and .R.A<2HZ 32> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 19> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 20> Warning: Close contact of 0.986 angstroms between nonbonded atoms H and HN ------- .R.A and .R.A Warning: Close contact of 0.996 angstroms between nonbonded atoms N and HN ------- .R.A and .R.A Warning: Close contact of 0.025 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.025 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.021 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.021 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.960 angstroms between nonbonded atoms OG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.026 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.170 angstroms between nonbonded atoms HZ3 and 2HZ ------- .R.A and .R.A<2HZ 32> Warning: Close contact of 0.171 angstroms between nonbonded atoms HZ2 and 3HZ ------- .R.A and .R.A<3HZ 33> Warning: Close contact of 0.171 angstroms between nonbonded atoms HZ1 and 1HZ ------- .R.A and .R.A<1HZ 31> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 1HZ ------- .R.A and .R.A<1HZ 31> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 2HZ ------- .R.A and .R.A<2HZ 32> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 3HZ ------- .R.A and .R.A<3HZ 33> Warning: Close contact of 0.044 angstroms between nonbonded atoms HE3 and 2HE ------- .R.A and .R.A<2HE 30> Warning: Close contact of 0.044 angstroms between nonbonded atoms HE2 and 1HE ------- .R.A and .R.A<1HE 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 1HE ------- .R.A and .R.A<1HE 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 2HE ------- .R.A and .R.A<2HE 30> Warning: Close contact of 0.023 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 28> Warning: Close contact of 0.023 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 28> Warning: Close contact of 0.026 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 26> Warning: Close contact of 0.027 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 26> Warning: Close contact of 0.022 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 24> Warning: Close contact of 0.022 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 23> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 23> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 24> Warning: Close contact of 0.051 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.039 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 18> Warning: Close contact of 0.021 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 17> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 17> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 18> Warning: Close contact of 0.037 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 20> Warning: Close contact of 0.039 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 19> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 19> Warning: Close contact of 1.110 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 20> Warning: Close contact of 0.031 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 20> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 19> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 19> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 20> Warning: Close contact of 0.994 angstroms between nonbonded atoms H and HN ------- .R.A and .R.A Warning: Close contact of 0.996 angstroms between nonbonded atoms N and HN ------- .R.A and .R.A Warning: Close contact of 0.037 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.036 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.052 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.067 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 1.085 angstroms between nonbonded atoms HH21 and HH21 ------- .R.A and .R.A Warning: Close contact of 1.167 angstroms between nonbonded atoms HE and HH21 ------- .R.A and .R.A Warning: Close contact of 0.022 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.021 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.024 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.024 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.037 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 20> Warning: Close contact of 0.030 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 19> Warning: Close contact of 0.565 angstroms between nonbonded atoms OE21 and OE11 ------- .R.A and .R.A Warning: Close contact of 1.384 angstroms between nonbonded atoms OE21 and CD1 ------- .R.A and .R.A Warning: Close contact of 1.328 angstroms between nonbonded atoms CD2 and OE11 ------- .R.A and .R.A Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 19> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 20> Warning: Close contact of 0.951 angstroms between nonbonded atoms H and HN ------- .R.A and .R.A Warning: Close contact of 0.997 angstroms between nonbonded atoms N and HN ------- .R.A and .R.A Warning: Close contact of 1.442 angstroms between nonbonded atoms HB3 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 0.560 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.448 angstroms between nonbonded atoms HB2 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.574 angstroms between nonbonded atoms HB2 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.566 angstroms between nonbonded atoms HB1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.438 angstroms between nonbonded atoms HB1 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 1.325 angstroms between nonbonded atoms SG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.061 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.039 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.109 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.450 angstroms between nonbonded atoms O and HH12 ------- .R.A and .R.A Warning: Close contact of 1.306 angstroms between nonbonded atoms OD1 and HH ------- .R.A and .R.A Warning: Close contact of 0.035 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 14> Warning: Close contact of 0.055 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 13> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 13> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 14> Warning: Close contact of 0.085 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 14> Warning: Close contact of 0.062 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 13> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 13> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 14> Warning: Close contact of 1.466 angstroms between nonbonded atoms HD1 and HB2 ------- .R.A and .R.A Warning: Close contact of 1.451 angstroms between nonbonded atoms HD1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 0.047 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.046 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 1.369 angstroms between nonbonded atoms HH12 and OE2 ------- .R.A and .R.A Warning: Close contact of 0.030 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.030 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.032 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.031 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.035 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.031 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 1.325 angstroms between nonbonded atoms SG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.064 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.034 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.027 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 19> Warning: Close contact of 0.025 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 19> Warning: Close contact of 0.029 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 17> Warning: Close contact of 0.028 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 16> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 16> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 17> Warning: Close contact of 1.418 angstroms between nonbonded atoms HH22 and HG ------- .R.A and .R.A Warning: Close contact of 0.026 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.026 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.110 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.023 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.023 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.059 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.046 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.041 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.053 angstroms between nonbonded atoms HB2 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.047 angstroms between nonbonded atoms HB1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.112 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 1.460 angstroms between nonbonded atoms HE3 and 1HE ------- .R.A and .R.A<1HE 22> Warning: Close contact of 0.532 angstroms between nonbonded atoms HE3 and 2HE ------- .R.A and .R.A<2HE 23> Warning: Close contact of 1.467 angstroms between nonbonded atoms HE2 and 2HE ------- .R.A and .R.A<2HE 23> Warning: Close contact of 0.540 angstroms between nonbonded atoms HE2 and 3HE ------- .R.A and .R.A<3HE 24> Warning: Close contact of 0.535 angstroms between nonbonded atoms HE1 and 1HE ------- .R.A and .R.A<1HE 22> Warning: Close contact of 1.461 angstroms between nonbonded atoms HE1 and 3HE ------- .R.A and .R.A<3HE 24> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 1HE ------- .R.A and .R.A<1HE 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 2HE ------- .R.A and .R.A<2HE 23> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 3HE ------- .R.A and .R.A<3HE 24> Warning: Close contact of 0.025 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 21> Warning: Close contact of 0.025 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 21> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 19> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 18> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 19> Warning: Close contact of 0.058 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.050 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.012 angstroms between nonbonded atoms HA3 and 2HA ------- .R.A and .R.A<2HA 9> Warning: Close contact of 0.012 angstroms between nonbonded atoms HA2 and 1HA ------- .R.A and .R.A<1HA 8> Warning: Close contact of 1.080 angstroms between nonbonded atoms CA and 1HA ------- .R.A and .R.A<1HA 8> Warning: Close contact of 1.080 angstroms between nonbonded atoms CA and 2HA ------- .R.A and .R.A<2HA 9> Warning: Close contact of 0.055 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.043 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.029 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.038 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.163 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.149 angstroms between nonbonded atoms HB2 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.156 angstroms between nonbonded atoms HB1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.157 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.143 angstroms between nonbonded atoms HB2 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.151 angstroms between nonbonded atoms HB1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.075 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.056 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.064 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.074 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.028 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.028 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.021 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.065 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.048 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.023 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 22> Warning: Close contact of 0.034 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 21> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 21> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 22> Warning: Close contact of 0.032 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.032 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.110 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.024 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.031 angstroms between nonbonded atoms HZ3 and 2HZ ------- .R.A and .R.A<2HZ 32> Warning: Close contact of 0.030 angstroms between nonbonded atoms HZ2 and 3HZ ------- .R.A and .R.A<3HZ 33> Warning: Close contact of 0.030 angstroms between nonbonded atoms HZ1 and 1HZ ------- .R.A and .R.A<1HZ 31> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 1HZ ------- .R.A and .R.A<1HZ 31> Warning: Close contact of 1.041 angstroms between nonbonded atoms NZ and 2HZ ------- .R.A and .R.A<2HZ 32> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 3HZ ------- .R.A and .R.A<3HZ 33> Warning: Close contact of 0.043 angstroms between nonbonded atoms HE3 and 2HE ------- .R.A and .R.A<2HE 30> Warning: Close contact of 0.043 angstroms between nonbonded atoms HE2 and 1HE ------- .R.A and .R.A<1HE 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 1HE ------- .R.A and .R.A<1HE 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 2HE ------- .R.A and .R.A<2HE 30> Warning: Close contact of 0.023 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 28> Warning: Close contact of 0.023 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 28> Warning: Close contact of 0.030 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 26> Warning: Close contact of 0.029 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 26> Warning: Close contact of 0.023 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 24> Warning: Close contact of 0.023 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 23> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 23> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 24> Warning: Close contact of 0.029 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.028 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.029 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.030 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.029 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.029 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.047 angstroms between nonbonded atoms HA3 and 2HA ------- .R.A and .R.A<2HA 9> Warning: Close contact of 0.047 angstroms between nonbonded atoms HA2 and 1HA ------- .R.A and .R.A<1HA 8> Warning: Close contact of 1.080 angstroms between nonbonded atoms CA and 1HA ------- .R.A and .R.A<1HA 8> Warning: Close contact of 1.079 angstroms between nonbonded atoms CA and 2HA ------- .R.A and .R.A<2HA 9> Warning: Close contact of 0.030 angstroms between nonbonded atoms HZ3 and 2HZ ------- .R.A and .R.A<2HZ 33> Warning: Close contact of 0.030 angstroms between nonbonded atoms HZ2 and 3HZ ------- .R.A and .R.A<3HZ 34> Warning: Close contact of 0.030 angstroms between nonbonded atoms HZ1 and 1HZ ------- .R.A and .R.A<1HZ 32> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 1HZ ------- .R.A and .R.A<1HZ 32> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 2HZ ------- .R.A and .R.A<2HZ 33> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 3HZ ------- .R.A and .R.A<3HZ 34> Warning: Close contact of 0.036 angstroms between nonbonded atoms HE3 and 2HE ------- .R.A and .R.A<2HE 31> Warning: Close contact of 0.036 angstroms between nonbonded atoms HE2 and 1HE ------- .R.A and .R.A<1HE 30> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 1HE ------- .R.A and .R.A<1HE 30> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 2HE ------- .R.A and .R.A<2HE 31> Warning: Close contact of 0.024 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 29> Warning: Close contact of 0.024 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 28> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 28> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 29> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 27> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 26> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 26> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 27> Warning: Close contact of 0.028 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 25> Warning: Close contact of 0.028 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 24> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 24> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 25> Warning: Close contact of 0.025 angstroms between nonbonded atoms HE3 and 2HE ------- .R.A and .R.A<2HE 25> Warning: Close contact of 0.025 angstroms between nonbonded atoms HE2 and 3HE ------- .R.A and .R.A<3HE 26> Warning: Close contact of 0.041 angstroms between nonbonded atoms HE1 and 1HE ------- .R.A and .R.A<1HE 24> Warning: Close contact of 1.112 angstroms between nonbonded atoms CE and 1HE ------- .R.A and .R.A<1HE 24> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 2HE ------- .R.A and .R.A<2HE 25> Warning: Close contact of 1.110 angstroms between nonbonded atoms CE and 3HE ------- .R.A and .R.A<3HE 26> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 23> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 22> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 22> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 23> Warning: Close contact of 0.023 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.024 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 1.053 angstroms between nonbonded atoms H3 and 2H ------- .R.A

and .R.A<2H 28> Warning: Close contact of 0.906 angstroms between nonbonded atoms H3 and 3H ------- .R.A

and .R.A<3H 29> Warning: Close contact of 0.939 angstroms between nonbonded atoms H2 and 1H ------- .R.A

and .R.A<1H 27> Warning: Close contact of 1.022 angstroms between nonbonded atoms H2 and 2H ------- .R.A

and .R.A<2H 28> Warning: Close contact of 0.955 angstroms between nonbonded atoms H1 and 1H ------- .R.A

and .R.A<1H 27> Warning: Close contact of 0.987 angstroms between nonbonded atoms H1 and 3H ------- .R.A

and .R.A<3H 29> Warning: Close contact of 1.040 angstroms between nonbonded atoms N and 1H ------- .R.A and .R.A<1H 27> Warning: Close contact of 1.040 angstroms between nonbonded atoms N and 2H ------- .R.A and .R.A<2H 28> Warning: Close contact of 1.040 angstroms between nonbonded atoms N and 3H ------- .R.A and .R.A<3H 29> Warning: Close contact of 0.030 angstroms between nonbonded atoms HZ3 and 2HZ ------- .R.A and .R.A<2HZ 32> Warning: Close contact of 0.030 angstroms between nonbonded atoms HZ2 and 3HZ ------- .R.A and .R.A<3HZ 33> Warning: Close contact of 0.030 angstroms between nonbonded atoms HZ1 and 1HZ ------- .R.A and .R.A<1HZ 31> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 1HZ ------- .R.A and .R.A<1HZ 31> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 2HZ ------- .R.A and .R.A<2HZ 32> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 3HZ ------- .R.A and .R.A<3HZ 33> Warning: Close contact of 0.046 angstroms between nonbonded atoms HE3 and 2HE ------- .R.A and .R.A<2HE 30> Warning: Close contact of 0.045 angstroms between nonbonded atoms HE2 and 1HE ------- .R.A and .R.A<1HE 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 1HE ------- .R.A and .R.A<1HE 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 2HE ------- .R.A and .R.A<2HE 30> Warning: Close contact of 0.024 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 28> Warning: Close contact of 0.024 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 28> Warning: Close contact of 0.024 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 26> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 26> Warning: Close contact of 0.029 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 24> Warning: Close contact of 0.029 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 23> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 23> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 24> Warning: Close contact of 1.294 angstroms between nonbonded atoms HG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.960 angstroms between nonbonded atoms OG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.026 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.030 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.039 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.037 angstroms between nonbonded atoms HG13 and HG11 ------- .R.A and .R.A Warning: Close contact of 1.110 angstroms between nonbonded atoms CG1 and HG11 ------- .R.A and .R.A Warning: Close contact of 0.027 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.031 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.034 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.035 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.047 angstroms between nonbonded atoms HB2 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.042 angstroms between nonbonded atoms HB1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.037 angstroms between nonbonded atoms HG13 and HG11 ------- .R.A and .R.A Warning: Close contact of 1.111 angstroms between nonbonded atoms CG1 and HG11 ------- .R.A and .R.A Warning: Close contact of 0.038 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.031 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.042 angstroms between nonbonded atoms HB2 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.038 angstroms between nonbonded atoms HB1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.036 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.048 angstroms between nonbonded atoms HB2 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.042 angstroms between nonbonded atoms HB1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.037 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.028 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.035 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.047 angstroms between nonbonded atoms HB2 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.042 angstroms between nonbonded atoms HB1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.029 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.048 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 1.325 angstroms between nonbonded atoms SG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.080 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.080 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.057 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.044 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.079 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 19> Warning: Close contact of 0.052 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 19> Warning: Close contact of 0.035 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 17> Warning: Close contact of 0.035 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 16> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 16> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 17> Warning: Close contact of 1.402 angstroms between nonbonded atoms HG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.960 angstroms between nonbonded atoms OG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.026 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.034 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 19> Warning: Close contact of 0.027 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 19> Warning: Close contact of 0.030 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 17> Warning: Close contact of 0.031 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 16> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 16> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 17> Warning: Close contact of 0.960 angstroms between nonbonded atoms OG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.032 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.032 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.025 angstroms between nonbonded atoms HE3 and 2HE ------- .R.A and .R.A<2HE 23> Warning: Close contact of 0.025 angstroms between nonbonded atoms HE2 and 3HE ------- .R.A and .R.A<3HE 24> Warning: Close contact of 0.040 angstroms between nonbonded atoms HE1 and 1HE ------- .R.A and .R.A<1HE 22> Warning: Close contact of 1.110 angstroms between nonbonded atoms CE and 1HE ------- .R.A and .R.A<1HE 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 2HE ------- .R.A and .R.A<2HE 23> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 3HE ------- .R.A and .R.A<3HE 24> Warning: Close contact of 0.029 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 21> Warning: Close contact of 0.029 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 20> Warning: Close contact of 1.109 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 21> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 19> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 19> Warning: Close contact of 0.048 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 19> Warning: Close contact of 0.073 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 19> Warning: Close contact of 0.028 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 17> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 16> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 16> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 17> Warning: Close contact of 0.960 angstroms between nonbonded atoms OG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.035 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.035 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.054 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.068 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.042 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 19> Warning: Close contact of 0.028 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 18> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 19> Warning: Close contact of 0.029 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 17> Warning: Close contact of 0.029 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 16> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 16> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 17> Warning: Close contact of 0.034 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.060 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.067 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.031 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 18> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 17> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 17> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 18> Warning: Close contact of 0.037 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 20> Warning: Close contact of 0.038 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 19> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 19> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 20> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 22> Warning: Close contact of 0.034 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 21> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 21> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 22> Warning: Close contact of 0.039 angstroms between nonbonded atoms HG13 and HG11 ------- .R.A and .R.A Warning: Close contact of 1.111 angstroms between nonbonded atoms CG1 and HG11 ------- .R.A and .R.A Warning: Close contact of 0.047 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.053 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.029 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.029 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.110 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.112 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.027 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.027 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.032 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.033 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.033 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.042 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.046 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.034 angstroms between nonbonded atoms HB2 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.040 angstroms between nonbonded atoms HB1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.085 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.100 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.036 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 22> Warning: Close contact of 0.062 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 21> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 21> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 22> Warning: Close contact of 0.033 angstroms between nonbonded atoms HG13 and HG11 ------- .R.A and .R.A Warning: Close contact of 1.111 angstroms between nonbonded atoms CG1 and HG11 ------- .R.A and .R.A Warning: Close contact of 1.402 angstroms between nonbonded atoms HG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.960 angstroms between nonbonded atoms OG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.025 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.034 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.032 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 18> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 17> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 17> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 18> Warning: Close contact of 0.032 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 20> Warning: Close contact of 0.034 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 19> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 19> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 20> Warning: Close contact of 0.025 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 21> Warning: Close contact of 0.030 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 21> Warning: Close contact of 0.032 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 19> Warning: Close contact of 0.033 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 18> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 18> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 19> Warning: Close contact of 0.026 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 21> Warning: Close contact of 0.029 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 21> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 19> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 18> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 19> Warning: Close contact of 0.025 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.025 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.028 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.073 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.051 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.027 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.027 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.034 angstroms between nonbonded atoms HB2 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.030 angstroms between nonbonded atoms HB1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.171 angstroms between nonbonded atoms HZ3 and 2HZ ------- .R.A and .R.A<2HZ 32> Warning: Close contact of 0.171 angstroms between nonbonded atoms HZ2 and 3HZ ------- .R.A and .R.A<3HZ 33> Warning: Close contact of 0.171 angstroms between nonbonded atoms HZ1 and 1HZ ------- .R.A and .R.A<1HZ 31> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 1HZ ------- .R.A and .R.A<1HZ 31> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 2HZ ------- .R.A and .R.A<2HZ 32> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 3HZ ------- .R.A and .R.A<3HZ 33> Warning: Close contact of 0.042 angstroms between nonbonded atoms HE3 and 2HE ------- .R.A and .R.A<2HE 30> Warning: Close contact of 0.042 angstroms between nonbonded atoms HE2 and 1HE ------- .R.A and .R.A<1HE 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 1HE ------- .R.A and .R.A<1HE 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 2HE ------- .R.A and .R.A<2HE 30> Warning: Close contact of 0.023 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 27> Warning: Close contact of 1.110 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 26> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 26> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 24> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 23> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 23> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 24> Warning: Close contact of 0.029 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 21> Warning: Close contact of 0.034 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 20> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 21> Warning: Close contact of 0.028 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 19> Warning: Close contact of 0.029 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 18> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 19> Warning: Close contact of 0.040 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 20> Warning: Close contact of 0.032 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 19> Warning: Close contact of 1.477 angstroms between nonbonded atoms OE22 and 3HZ ------- .R.A and .R.A<3HZ 33> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 19> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 20> Warning: Close contact of 1.014 angstroms between nonbonded atoms H and HN ------- .R.A and .R.A Warning: Close contact of 0.997 angstroms between nonbonded atoms N and HN ------- .R.A and .R.A Warning: Close contact of 0.023 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.023 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.037 angstroms between nonbonded atoms HG13 and HG11 ------- .R.A and .R.A Warning: Close contact of 1.111 angstroms between nonbonded atoms CG1 and HG11 ------- .R.A and .R.A Warning: Close contact of 0.028 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.028 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.024 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.024 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.034 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.034 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 1.499 angstroms between nonbonded atoms HA and HE3 ------- .R.A and .R.A Warning: Close contact of 0.028 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 20> Warning: Close contact of 0.023 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 19> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 19> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 20> Warning: Close contact of 0.992 angstroms between nonbonded atoms H and HN ------- .R.A and .R.A Warning: Close contact of 0.996 angstroms between nonbonded atoms N and HN ------- .R.A and .R.A Warning: Close contact of 0.026 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.027 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.960 angstroms between nonbonded atoms OG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.025 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 13> Warning: Close contact of 0.171 angstroms between nonbonded atoms HZ3 and 2HZ ------- .R.A and .R.A<2HZ 32> Warning: Close contact of 0.171 angstroms between nonbonded atoms HZ2 and 3HZ ------- .R.A and .R.A<3HZ 33> Warning: Close contact of 0.171 angstroms between nonbonded atoms HZ1 and 1HZ ------- .R.A and .R.A<1HZ 31> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 1HZ ------- .R.A and .R.A<1HZ 31> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 2HZ ------- .R.A and .R.A<2HZ 32> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 3HZ ------- .R.A and .R.A<3HZ 33> Warning: Close contact of 0.046 angstroms between nonbonded atoms HE3 and 2HE ------- .R.A and .R.A<2HE 30> Warning: Close contact of 0.046 angstroms between nonbonded atoms HE2 and 1HE ------- .R.A and .R.A<1HE 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 1HE ------- .R.A and .R.A<1HE 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 2HE ------- .R.A and .R.A<2HE 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 28> Warning: Close contact of 0.026 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 26> Warning: Close contact of 0.026 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 25> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 25> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 26> Warning: Close contact of 0.023 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 24> Warning: Close contact of 0.023 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 23> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 23> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 24> Warning: Close contact of 0.050 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.038 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 18> Warning: Close contact of 0.021 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 17> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 17> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 18> Warning: Close contact of 0.038 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 20> Warning: Close contact of 0.039 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 19> Warning: Close contact of 1.110 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 19> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 20> Warning: Close contact of 0.031 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 20> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 19> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 19> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 20> Warning: Close contact of 0.994 angstroms between nonbonded atoms H and HN ------- .R.A and .R.A Warning: Close contact of 0.997 angstroms between nonbonded atoms N and HN ------- .R.A and .R.A Warning: Close contact of 0.036 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.038 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.047 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.063 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.022 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.024 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.024 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.037 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 20> Warning: Close contact of 0.030 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 19> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 19> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 20> Warning: Close contact of 0.951 angstroms between nonbonded atoms H and HN ------- .R.A and .R.A Warning: Close contact of 0.996 angstroms between nonbonded atoms N and HN ------- .R.A and .R.A Warning: Close contact of 1.436 angstroms between nonbonded atoms HB3 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 0.569 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.442 angstroms between nonbonded atoms HB2 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.582 angstroms between nonbonded atoms HB2 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.575 angstroms between nonbonded atoms HB1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.431 angstroms between nonbonded atoms HB1 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 1.325 angstroms between nonbonded atoms SG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.058 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.038 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.109 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.344 angstroms between nonbonded atoms OD1 and HH ------- .R.A and .R.A Warning: Close contact of 0.042 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 14> Warning: Close contact of 0.064 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 13> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 13> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 14> Warning: Close contact of 0.067 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 14> Warning: Close contact of 0.045 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 13> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 13> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 14> Warning: Close contact of 1.451 angstroms between nonbonded atoms HD1 and HB2 ------- .R.A and .R.A Warning: Close contact of 1.435 angstroms between nonbonded atoms HD1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 0.057 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.046 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.032 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.032 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.033 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.033 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.038 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 0.029 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 21> Warning: Close contact of 1.325 angstroms between nonbonded atoms SG and HG1 ------- .R.A and .R.A Warning: Close contact of 0.062 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.034 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.026 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 19> Warning: Close contact of 0.029 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 19> Warning: Close contact of 0.030 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 17> Warning: Close contact of 0.031 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 16> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 16> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 17> Warning: Close contact of 0.026 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.026 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.053 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.045 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.042 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.055 angstroms between nonbonded atoms HB2 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.049 angstroms between nonbonded atoms HB1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.356 angstroms between nonbonded atoms HE3 and 2HE ------- .R.A and .R.A<2HE 23> Warning: Close contact of 0.364 angstroms between nonbonded atoms HE2 and 3HE ------- .R.A and .R.A<3HE 24> Warning: Close contact of 0.361 angstroms between nonbonded atoms HE1 and 1HE ------- .R.A and .R.A<1HE 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 1HE ------- .R.A and .R.A<1HE 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 2HE ------- .R.A and .R.A<2HE 23> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 3HE ------- .R.A and .R.A<3HE 24> Warning: Close contact of 0.025 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 21> Warning: Close contact of 0.026 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 20> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 21> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 19> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 18> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 18> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 19> Warning: Close contact of 0.056 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.051 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.012 angstroms between nonbonded atoms HA3 and 2HA ------- .R.A and .R.A<2HA 9> Warning: Close contact of 0.013 angstroms between nonbonded atoms HA2 and 1HA ------- .R.A and .R.A<1HA 8> Warning: Close contact of 1.080 angstroms between nonbonded atoms CA and 1HA ------- .R.A and .R.A<1HA 8> Warning: Close contact of 1.080 angstroms between nonbonded atoms CA and 2HA ------- .R.A and .R.A<2HA 9> Warning: Close contact of 0.049 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.041 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.112 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.036 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.156 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.141 angstroms between nonbonded atoms HB2 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.149 angstroms between nonbonded atoms HB1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.158 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 0.144 angstroms between nonbonded atoms HB2 and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.151 angstroms between nonbonded atoms HB1 and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 11> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 12> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 3HB ------- .R.A and .R.A<3HB 13> Warning: Close contact of 0.074 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.055 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.057 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.066 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 15> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 16> Warning: Close contact of 0.030 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.029 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.027 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.059 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.045 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 22> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 23> Warning: Close contact of 0.023 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 22> Warning: Close contact of 0.030 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 21> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 21> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 22> Warning: Close contact of 0.028 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.028 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.023 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.030 angstroms between nonbonded atoms HZ3 and 2HZ ------- .R.A and .R.A<2HZ 32> Warning: Close contact of 0.030 angstroms between nonbonded atoms HZ2 and 3HZ ------- .R.A and .R.A<3HZ 33> Warning: Close contact of 0.030 angstroms between nonbonded atoms HZ1 and 1HZ ------- .R.A and .R.A<1HZ 31> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 1HZ ------- .R.A and .R.A<1HZ 31> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 2HZ ------- .R.A and .R.A<2HZ 32> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 3HZ ------- .R.A and .R.A<3HZ 33> Warning: Close contact of 0.045 angstroms between nonbonded atoms HE3 and 2HE ------- .R.A and .R.A<2HE 30> Warning: Close contact of 0.046 angstroms between nonbonded atoms HE2 and 1HE ------- .R.A and .R.A<1HE 29> Warning: Close contact of 1.110 angstroms between nonbonded atoms CE and 1HE ------- .R.A and .R.A<1HE 29> Warning: Close contact of 1.110 angstroms between nonbonded atoms CE and 2HE ------- .R.A and .R.A<2HE 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 28> Warning: Close contact of 0.031 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 26> Warning: Close contact of 0.030 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 26> Warning: Close contact of 0.023 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 24> Warning: Close contact of 0.023 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 23> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 23> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 24> Warning: Close contact of 0.027 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.027 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.026 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.025 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.030 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.030 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 29> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 30> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 27> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 28> Warning: Close contact of 0.029 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.029 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 25> Warning: Close contact of 1.110 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 26> Warning: Close contact of 0.046 angstroms between nonbonded atoms HA3 and 2HA ------- .R.A and .R.A<2HA 9> Warning: Close contact of 0.045 angstroms between nonbonded atoms HA2 and 1HA ------- .R.A and .R.A<1HA 8> Warning: Close contact of 1.079 angstroms between nonbonded atoms CA and 1HA ------- .R.A and .R.A<1HA 8> Warning: Close contact of 1.079 angstroms between nonbonded atoms CA and 2HA ------- .R.A and .R.A<2HA 9> Warning: Close contact of 0.030 angstroms between nonbonded atoms HZ3 and 2HZ ------- .R.A and .R.A<2HZ 33> Warning: Close contact of 0.030 angstroms between nonbonded atoms HZ2 and 3HZ ------- .R.A and .R.A<3HZ 34> Warning: Close contact of 0.030 angstroms between nonbonded atoms HZ1 and 1HZ ------- .R.A and .R.A<1HZ 32> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 1HZ ------- .R.A and .R.A<1HZ 32> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 2HZ ------- .R.A and .R.A<2HZ 33> Warning: Close contact of 1.040 angstroms between nonbonded atoms NZ and 3HZ ------- .R.A and .R.A<3HZ 34> Warning: Close contact of 0.036 angstroms between nonbonded atoms HE3 and 2HE ------- .R.A and .R.A<2HE 31> Warning: Close contact of 0.036 angstroms between nonbonded atoms HE2 and 1HE ------- .R.A and .R.A<1HE 30> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 1HE ------- .R.A and .R.A<1HE 30> Warning: Close contact of 1.111 angstroms between nonbonded atoms CE and 2HE ------- .R.A and .R.A<2HE 31> Warning: Close contact of 0.024 angstroms between nonbonded atoms HD3 and 2HD ------- .R.A and .R.A<2HD 29> Warning: Close contact of 0.023 angstroms between nonbonded atoms HD2 and 1HD ------- .R.A and .R.A<1HD 28> Warning: Close contact of 1.110 angstroms between nonbonded atoms CD and 1HD ------- .R.A and .R.A<1HD 28> Warning: Close contact of 1.111 angstroms between nonbonded atoms CD and 2HD ------- .R.A and .R.A<2HD 29> Warning: Close contact of 0.021 angstroms between nonbonded atoms HG3 and 2HG ------- .R.A and .R.A<2HG 27> Warning: Close contact of 0.022 angstroms between nonbonded atoms HG2 and 1HG ------- .R.A and .R.A<1HG 26> Warning: Close contact of 1.111 angstroms between nonbonded atoms CG and 1HG ------- .R.A and .R.A<1HG 26> Warning: Close contact of 1.110 angstroms between nonbonded atoms CG and 2HG ------- .R.A and .R.A<2HG 27> Warning: Close contact of 0.029 angstroms between nonbonded atoms HB3 and 2HB ------- .R.A and .R.A<2HB 25> Warning: Close contact of 0.029 angstroms between nonbonded atoms HB2 and 1HB ------- .R.A and .R.A<1HB 24> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 1HB ------- .R.A and .R.A<1HB 24> Warning: Close contact of 1.111 angstroms between nonbonded atoms CB and 2HB ------- .R.A and .R.A<2HB 25> Checking parameters for unit 'mgp'. Checking for bond parameters. Error: Could not find bond parameter for: C - NT Error: Could not find bond parameter for: C - NT Error: Could not find bond parameter for: C - NT Error: Could not find bond parameter for: C - NT Error: Could not find bond parameter for: C - NT Error: Could not find bond parameter for: C - NT Error: Could not find bond parameter for: C - NT Error: Could not find bond parameter for: C - NT Checking for angle parameters. Error: Could not find angle parameter: O - C - NT Error: Could not find angle parameter: C - NT - H Error: Could not find angle parameter: C - NT - CT Error: Could not find angle parameter: XC - C - NT Error: Could not find angle parameter: O - C - NT Error: Could not find angle parameter: C - NT - H Error: Could not find angle parameter: C - NT - CT Error: Could not find angle parameter: XC - C - NT Error: Could not find angle parameter: O - C - NT Error: Could not find angle parameter: C - NT - H Error: Could not find angle parameter: C - NT - CT Error: Could not find angle parameter: XC - C - NT Error: Could not find angle parameter: O - C - NT Error: Could not find angle parameter: C - NT - H Error: Could not find angle parameter: C - NT - CT Error: Could not find angle parameter: XC - C - NT Error: Could not find angle parameter: O - C - NT Error: Could not find angle parameter: C - NT - H Error: Could not find angle parameter: C - NT - CT Error: Could not find angle parameter: XC - C - NT Error: Could not find angle parameter: O - C - NT Error: Could not find angle parameter: C - NT - H Error: Could not find angle parameter: C - NT - CT Error: Could not find angle parameter: XC - C - NT Error: Could not find angle parameter: O - C - NT Error: Could not find angle parameter: C - NT - H Error: Could not find angle parameter: C - NT - CT Error: Could not find angle parameter: XC - C - NT Error: Could not find angle parameter: O - C - NT Error: Could not find angle parameter: C - NT - H Error: Could not find angle parameter: C - NT - CT Error: Could not find angle parameter: XC - C - NT Warning: There are missing parameters. check: Errors: 702 Warnings: 1436 > quit Quit Exiting LEaP: Errors = 40; Warnings = 1437; Notes = 0.