log started: Wed Nov 8 13:57:03 2017 Log file: ./leap.log >> # >> # ----- leaprc for loading the ff99SB (Hornak & Simmerling) force field >> # ----- this file is updated 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" } >> { "OH" "O" "sp3" } >> { "OS" "O" "sp3" } >> { "O" "O" "sp2" } >> { "O2" "O" "sp2" } >> { "OW" "O" "sp3" } >> { "CT" "C" "sp3" } >> { "CH" "C" "sp3" } >> { "C2" "C" "sp3" } >> { "C3" "C" "sp3" } >> { "C" "C" "sp2" } >> { "C*" "C" "sp2" } >> { "CA" "C" "sp2" } >> { "CB" "C" "sp2" } >> { "CC" "C" "sp2" } >> { "CN" "C" "sp2" } >> { "CM" "C" "sp2" } >> { "CK" "C" "sp2" } >> { "CQ" "C" "sp2" } >> { "CD" "C" "sp2" } >> { "CE" "C" "sp2" } >> { "CF" "C" "sp2" } >> { "CP" "C" "sp2" } >> { "CI" "C" "sp2" } >> { "CJ" "C" "sp2" } >> { "CW" "C" "sp2" } >> { "CV" "C" "sp2" } >> { "CR" "C" "sp2" } >> { "CA" "C" "sp2" } >> { "CY" "C" "sp2" } >> { "C0" "Ca" "sp2" } >> { "MG" "Mg" "sp3" } >> { "N" "N" "sp2" } >> { "NA" "N" "sp2" } >> { "N2" "N" "sp2" } >> { "N*" "N" "sp2" } >> { "NP" "N" "sp2" } >> { "NQ" "N" "sp2" } >> { "NB" "N" "sp2" } >> { "NC" "N" "sp2" } >> { "NT" "N" "sp3" } >> { "N3" "N" "sp3" } >> { "S" "S" "sp3" } >> { "SH" "S" "sp3" } >> { "P" "P" "sp3" } >> { "LP" "" "sp3" } >> { "F" "F" "sp3" } >> { "CL" "Cl" "sp3" } >> { "BR" "Br" "sp3" } >> { "I" "I" "sp3" } >> { "FE" "Fe" "sp3" } >> { "EP" "" "sp3" } >> # glycam >> { "OG" "O" "sp3" } >> { "OL" "O" "sp3" } >> { "AC" "C" "sp3" } >> { "EC" "C" "sp3" } >> } >> # >> # Load the main parameter set. >> # >> parm99 = loadamberparams parm99.dat Loading parameters: /home/shilpa/AMBER/amber12/dat/leap/parm/parm99.dat Reading title: PARM99 for DNA,RNA,AA, organic molecules, TIP3P wat. Polariz.& LP incl.02/04/99 (UNKNOWN ATOM TYPE: HZ) (UNKNOWN ATOM TYPE: IM) (UNKNOWN ATOM TYPE: Li) (UNKNOWN ATOM TYPE: IP) (UNKNOWN ATOM TYPE: K) (UNKNOWN ATOM TYPE: Rb) (UNKNOWN ATOM TYPE: Cs) (UNKNOWN ATOM TYPE: Zn) (UNKNOWN ATOM TYPE: IB) (UNKNOWN ATOM TYPE: LP) >> frcmod99SB = loadamberparams frcmod.ff99SB Loading parameters: /home/shilpa/AMBER/amber12/dat/leap/parm/frcmod.ff99SB Reading force field modification type file (frcmod) Reading title: Modification/update of parm99.dat (Hornak & Simmerling) >> # >> # Load DNA/RNA libraries >> # >> loadOff all_nucleic94.lib Loading library: /home/shilpa/AMBER/amber12/dat/leap/lib/all_nucleic94.lib Loading: DA Loading: DA3 Loading: DA5 Loading: DAN Loading: DC Loading: DC3 Loading: DC5 Loading: DCN Loading: DG Loading: DG3 Loading: DG5 Loading: DGN Loading: DT Loading: DT3 Loading: DT5 Loading: DTN Loading: RA Loading: RA3 Loading: RA5 Loading: RAN Loading: RC Loading: RC3 Loading: RC5 Loading: RCN Loading: RG Loading: RG3 Loading: RG5 Loading: RGN Loading: RU Loading: RU3 Loading: RU5 Loading: RUN >> # >> # Load main chain and terminating >> # amino acid libraries (i.e. ff94 libs) >> # >> loadOff all_amino94.lib Loading library: /home/shilpa/AMBER/amber12/dat/leap/lib/all_amino94.lib Loading: ALA Loading: ARG Loading: ASH Loading: ASN Loading: ASP Loading: CYM Loading: CYS Loading: CYX Loading: GLH Loading: GLN Loading: GLU Loading: GLY Loading: HID Loading: HIE Loading: HIP Loading: ILE Loading: LEU Loading: LYN Loading: LYS Loading: MET Loading: PHE Loading: PRO Loading: SER Loading: THR Loading: TRP Loading: TYR Loading: VAL >> loadOff all_aminoct94.lib Loading library: /home/shilpa/AMBER/amber12/dat/leap/lib/all_aminoct94.lib Loading: CALA Loading: CARG Loading: CASN Loading: CASP Loading: CCYS Loading: CCYX Loading: CGLN Loading: CGLU Loading: CGLY Loading: CHID Loading: CHIE Loading: CHIP Loading: CILE Loading: CLEU Loading: CLYS Loading: CMET Loading: CPHE Loading: CPRO Loading: CSER Loading: CTHR Loading: CTRP Loading: CTYR Loading: CVAL Loading: NHE Loading: NME >> loadOff all_aminont94.lib Loading library: /home/shilpa/AMBER/amber12/dat/leap/lib/all_aminont94.lib Loading: ACE Loading: NALA Loading: NARG Loading: NASN Loading: NASP Loading: NCYS Loading: NCYX Loading: NGLN Loading: NGLU Loading: NGLY Loading: NHID Loading: NHIE Loading: NHIP Loading: NILE Loading: NLEU Loading: NLYS Loading: NMET Loading: NPHE Loading: NPRO Loading: NSER Loading: NTHR Loading: NTRP Loading: NTYR Loading: NVAL >> # >> # Load water and ions >> # >> loadOff ions94.lib Loading library: /home/shilpa/AMBER/amber12/dat/leap/lib/ions94.lib Loading: CIO Loading: Cl- Loading: Cs+ Loading: IB Loading: K+ Loading: Li+ Loading: MG2 Loading: Na+ Loading: Rb+ >> loadOff solvents.lib Loading library: /home/shilpa/AMBER/amber12/dat/leap/lib/solvents.lib Loading: CHCL3BOX Loading: DC4 Loading: MEOHBOX Loading: NMABOX Loading: PL3 Loading: POL3BOX Loading: QSPCFWBOX Loading: SPC Loading: SPCBOX Loading: SPCFWBOX Loading: SPF Loading: SPG Loading: T4E Loading: TIP3PBOX Loading: TIP3PFBOX Loading: TIP4PBOX Loading: TIP4PEWBOX Loading: TIP5PBOX Loading: TP3 Loading: TP4 Loading: TP5 Loading: TPF >> HOH = TP3 >> WAT = TP3 >> >> # >> # Define the PDB name map for the amino acids and DNA. >> # >> addPdbResMap { >> { 0 "ALA" "NALA" } { 1 "ALA" "CALA" } >> { 0 "ARG" "NARG" } { 1 "ARG" "CARG" } >> { 0 "ASN" "NASN" } { 1 "ASN" "CASN" } >> { 0 "ASP" "NASP" } { 1 "ASP" "CASP" } >> { 0 "CYS" "NCYS" } { 1 "CYS" "CCYS" } >> { 0 "CYX" "NCYX" } { 1 "CYX" "CCYX" } >> { 0 "GLN" "NGLN" } { 1 "GLN" "CGLN" } >> { 0 "GLU" "NGLU" } { 1 "GLU" "CGLU" } >> { 0 "GLY" "NGLY" } { 1 "GLY" "CGLY" } >> { 0 "HID" "NHID" } { 1 "HID" "CHID" } >> { 0 "HIE" "NHIE" } { 1 "HIE" "CHIE" } >> { 0 "HIP" "NHIP" } { 1 "HIP" "CHIP" } >> { 0 "ILE" "NILE" } { 1 "ILE" "CILE" } >> { 0 "LEU" "NLEU" } { 1 "LEU" "CLEU" } >> { 0 "LYS" "NLYS" } { 1 "LYS" "CLYS" } >> { 0 "MET" "NMET" } { 1 "MET" "CMET" } >> { 0 "PHE" "NPHE" } { 1 "PHE" "CPHE" } >> { 0 "PRO" "NPRO" } { 1 "PRO" "CPRO" } >> { 0 "SER" "NSER" } { 1 "SER" "CSER" } >> { 0 "THR" "NTHR" } { 1 "THR" "CTHR" } >> { 0 "TRP" "NTRP" } { 1 "TRP" "CTRP" } >> { 0 "TYR" "NTYR" } { 1 "TYR" "CTYR" } >> { 0 "VAL" "NVAL" } { 1 "VAL" "CVAL" } >> { 0 "HIS" "NHIS" } { 1 "HIS" "CHIS" } >> { 0 "GUA" "DG5" } { 1 "GUA" "DG3" } { "GUA" "DG" } >> { 0 "ADE" "DA5" } { 1 "ADE" "DA3" } { "ADE" "DA" } >> { 0 "CYT" "DC5" } { 1 "CYT" "DC3" } { "CYT" "DC" } >> { 0 "THY" "DT5" } { 1 "THY" "DT3" } { "THY" "DT" } >> { 0 "G" "RG5" } { 1 "G" "RG3" } { "G" "RG" } { "GN" "RGN" } >> { 0 "A" "RA5" } { 1 "A" "RA3" } { "A" "RA" } { "AN" "RAN" } >> { 0 "C" "RC5" } { 1 "C" "RC3" } { "C" "RC" } { "CN" "RCN" } >> { 0 "U" "RU5" } { 1 "U" "RU3" } { "U" "RU" } { "UN" "RUN" } >> { 0 "DG" "DG5" } { 1 "DG" "DG3" } >> { 0 "DA" "DA5" } { 1 "DA" "DA3" } >> { 0 "DC" "DC5" } { 1 "DC" "DC3" } >> { 0 "DT" "DT5" } { 1 "DT" "DT3" } >> >> } >> >> addPdbAtomMap { >> { "O5*" "O5'" } >> { "C5*" "C5'" } >> { "C4*" "C4'" } >> { "O4*" "O4'" } >> { "C3*" "C3'" } >> { "O3*" "O3'" } >> { "C2*" "C2'" } >> { "C1*" "C1'" } >> { "C5M" "C7" } >> { "O2*" "O2'" } >> { "H1*" "H1'" } >> { "H2*1" "H2'1" } >> { "H2*2" "H2'2" } >> { "H2'" "H2'1" } >> { "H2''" "H2'2" } >> { "H3*" "H3'" } >> { "H4*" "H4'" } >> { "H5*1" "H5'1" } >> { "H5*2" "H5'2" } >> { "H5'" "H5'1" } >> { "H5''" "H5'2" } >> { "HO2'" "HO'2" } >> { "HO5'" "H5T" } >> { "HO3'" "H3T" } >> { "O1'" "O4'" } >> { "OA" "O1P" } >> { "OB" "O2P" } >> { "OP1" "O1P" } >> { "OP2" "O2P" } >> } >> >> >> # >> # assumed that most often proteins use HIE >> # >> NHIS = NHIE >> HIS = HIE >> CHIS = CHIE > > source leaprc.gaff ----- Source: /home/shilpa/AMBER/amber12/dat/leap/cmd/leaprc.gaff ----- Source of /home/shilpa/AMBER/amber12/dat/leap/cmd/leaprc.gaff done >> logFile leap.log log started: Wed Nov 8 13:57:08 2017 Log file: ./leap.log >> # >> # ----- leaprc for loading the general Amber Force field. >> # This file is mostly for use with Antechamber >> # >> # load atom type hybridizations >> # >> addAtomTypes { >> { "h1" "H" "sp3" } >> { "h2" "H" "sp3" } >> { "h3" "H" "sp3" } >> { "h4" "H" "sp3" } >> { "h5" "H" "sp3" } >> { "ha" "H" "sp3" } >> { "hc" "H" "sp3" } >> { "hn" "H" "sp3" } >> { "ho" "H" "sp3" } >> { "hp" "H" "sp3" } >> { "hs" "H" "sp3" } >> { "hw" "H" "sp3" } >> { "hx" "H" "sp3" } >> { "o" "O" "sp2" } >> { "o2" "O" "sp2" } >> { "oh" "O" "sp3" } >> { "os" "O" "sp3" } >> { "ow" "O" "sp3" } >> { "c" "C" "sp2" } >> { "c1" "C" "sp2" } >> { "c2" "C" "sp2" } >> { "c3" "C" "sp3" } >> { "ca" "C" "sp2" } >> { "cc" "C" "sp2" } >> { "cd" "C" "sp2" } >> { "ce" "C" "sp2" } >> { "cf" "C" "sp2" } >> { "cg" "C" "sp2" } >> { "ch" "C" "sp2" } >> { "cp" "C" "sp2" } >> { "cq" "C" "sp2" } >> { "cu" "C" "sp2" } >> { "cv" "C" "sp2" } >> { "cx" "C" "sp2" } >> { "cy" "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" } >> { "no" "N" "sp2" } >> { "s" "S" "sp2" } >> { "s2" "S" "sp2" } >> { "s3" "S" "sp3" } >> { "s4" "S" "sp3" } >> { "s6" "S" "sp3" } >> { "sh" "S" "sp3" } >> { "ss" "S" "sp3" } >> { "sx" "S" "sp3" } >> { "sy" "S" "sp3" } >> { "p2" "P" "sp2" } >> { "p3" "P" "sp3" } >> { "p4" "P" "sp3" } >> { "p5" "P" "sp3" } >> { "pb" "P" "sp3" } >> { "pd" "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/shilpa/AMBER/amber12/dat/leap/parm/gaff.dat Reading title: AMBER General Force Field for organic molecules (Version 1.4, March 2010) add. info. at the end (UNKNOWN ATOM TYPE: cz) > > loadamberparams frcmod.bmi Loading parameters: ./frcmod.bmi Reading force field modification type file (frcmod) Reading title: remark goes here > BMI=loadmol2 bmi.mol2 Loading Mol2 file: ./bmi.mol2 Reading MOLECULE named BMI > cl=loadmol2 cl.mol2 Loading Mol2 file: ./cl.mol2 Reading MOLECULE named Cl- > list ACE ALA ARG ASH ASN ASP BMI CALA CARG CASN CASP CCYS CCYX CGLN CGLU CGLY CHCL3BOX CHID CHIE CHIP CHIS CILE CIO CLEU CLYS CMET CPHE CPRO CSER CTHR CTRP CTYR CVAL CYM CYS CYX Cl- Cs+ DA DA3 DA5 DAN DC DC3 DC4 DC5 DCN DG DG3 DG5 DGN DT DT3 DT5 DTN GLH GLN GLU GLY HID HIE HIP HIS HOH IB ILE K+ LEU LYN LYS Li+ MEOHBOX MET MG2 NALA NARG NASN NASP NCYS NCYX NGLN NGLU NGLY NHE NHID NHIE NHIP NHIS NILE NLEU NLYS NMABOX NME NMET NPHE NPRO NSER NTHR NTRP NTYR NVAL Na+ PHE PL3 POL3BOX PRO QSPCFWBOX RA RA3 RA5 RAN RC RC3 RC5 RCN RG RG3 RG5 RGN RU RU3 RU5 RUN Rb+ SER SPC SPCBOX SPCFWBOX SPF SPG T4E THR TIP3PBOX TIP3PFBOX TIP4PBOX TIP4PEWBOX TIP5PBOX TP3 TP4 TP5 TPF TRP TYR VAL WAT cl frcmod99SBgaff parm99 > G3=loadmol2 USER.mol2 Loading Mol2 file: ./USER.mol2 Reading MOLECULE named MOL > ionicbox =loadpdb ionicbox.pdb Loading PDB file: ./ionicbox.pdb Enter zPdbReadScan from call depth 0. Exit zPdbReadScan from call depth 0. Matching PDB residue names to LEaP variables. (Residue 0: aaa, Terminal/beginning, was not found in name map.) Unknown residue: aaa number: 0 type: Terminal/beginning ..relaxing end constraints to try for a dbase match -no luck (Residue 1: bbb, Nonterminal, was not found in name map.) Unknown residue: bbb number: 1 type: Nonterminal (Residue 2: bbb, Nonterminal, was not found in name map.) Unknown residue: bbb number: 2 type: Nonterminal (Residue 3: bbb, Nonterminal, was not found in name map.) Unknown residue: bbb number: 3 type: Nonterminal (Residue 4: bbb, Nonterminal, was not found in name map.) Unknown residue: bbb number: 4 type: Nonterminal (Residue 5: bbb, Nonterminal, was not found in name map.) Unknown residue: bbb number: 5 type: Nonterminal (Residue 6: bbb, Nonterminal, was not found in name map.) Unknown residue: bbb number: 6 type: Nonterminal (Residue 7: bbb, Nonterminal, was not found in name map.) Unknown residue: bbb number: 7 type: Nonterminal (Residue 8: bbb, Nonterminal, was not found in name map.) Unknown residue: bbb number: 8 type: Nonterminal (Residue 9: bbb, Nonterminal, was not found in name map.) Unknown residue: bbb number: 9 type: Nonterminal (Residue 10: bbb, Nonterminal, was not found in name map.) Unknown residue: bbb number: 10 type: Nonterminal (Residue 11: bbb, Nonterminal, was not found in name map.) Unknown residue: bbb number: 11 type: Nonterminal (Residue 12: bbb, Nonterminal, was not found in name map.) Unknown residue: bbb number: 12 type: Nonterminal (Residue 13: ccc, Nonterminal, was not found in name map.) Unknown residue: ccc number: 13 type: Nonterminal (Residue 14: ccc, Nonterminal, was not found in name map.) Unknown residue: ccc number: 14 type: Nonterminal (Residue 15: ccc, Nonterminal, was not found in name map.) Unknown residue: ccc number: 15 type: Nonterminal (Residue 16: ccc, Nonterminal, was not found in name map.) Unknown residue: ccc number: 16 type: Nonterminal (Residue 17: ccc, Nonterminal, was not found in name map.) Unknown residue: ccc number: 17 type: Nonterminal (Residue 18: ccc, Nonterminal, was not found in name map.) Unknown residue: ccc number: 18 type: Nonterminal (Residue 19: ccc, Nonterminal, was not found in name map.) Unknown residue: ccc number: 19 type: Nonterminal (Residue 20: ccc, Nonterminal, was not found in name map.) Unknown residue: ccc number: 20 type: Nonterminal (Residue 21: ccc, Nonterminal, was not found in name map.) Unknown residue: ccc number: 21 type: Nonterminal (Residue 22: ccc, Nonterminal, was not found in name map.) Unknown residue: ccc number: 22 type: Nonterminal (Residue 23: ccc, Nonterminal, was not found in name map.) Unknown residue: ccc number: 23 type: Nonterminal (Residue 24: ccc, Nonterminal, was not found in name map.) Unknown residue: ccc number: 24 type: Nonterminal (Residue 25: ccc, Nonterminal, was not found in name map.) Unknown residue: ccc number: 25 type: Nonterminal (Residue 26: ccc, Nonterminal, was not found in name map.) Unknown residue: ccc number: 26 type: Nonterminal (Residue 27: ccc, Nonterminal, was not found in name map.) Unknown residue: ccc number: 27 type: Nonterminal (Residue 28: ccc, Terminal/last, was not found in name map.) Unknown residue: ccc number: 28 type: Terminal/last ..relaxing end constraints to try for a dbase match -no luck (Residue 29: BMI, Terminal/beginning, was not found in name map.) (Residue 30: BMI, Nonterminal, was not found in name map.) (Residue 31: BMI, Nonterminal, was not found in name map.) (Residue 32: BMI, Nonterminal, was not found in name map.) (Residue 33: BMI, Nonterminal, was not found in name map.) (Residue 34: BMI, Nonterminal, was not found in name map.) (Residue 35: BMI, Nonterminal, was not found in name map.) (Residue 36: BMI, Nonterminal, was not found in name map.) (Residue 37: BMI, Nonterminal, was not found in name map.) (Residue 38: BMI, Nonterminal, was not found in name map.) (Residue 39: BMI, Nonterminal, was not found in name map.) (Residue 40: BMI, Nonterminal, was not found in name map.) (Residue 41: BMI, Nonterminal, was not found in name map.) (Residue 42: BMI, Nonterminal, was not found in name map.) (Residue 43: BMI, Nonterminal, was not found in name map.) (Residue 44: BMI, Nonterminal, was not found in name map.) (Residue 45: BMI, Nonterminal, was not found in name map.) (Residue 46: BMI, Nonterminal, was not found in name map.) (Residue 47: BMI, Nonterminal, was not found in name map.) (Residue 48: BMI, Nonterminal, was not found in name map.) (Residue 49: BMI, Nonterminal, was not found in name map.) (Residue 50: BMI, Nonterminal, was not found in name map.) (Residue 51: BMI, Nonterminal, was not found in name map.) (Residue 52: BMI, Nonterminal, was not found in name map.) (Residue 53: BMI, Nonterminal, was not found in name map.) (Residue 54: BMI, Nonterminal, was not found in name map.) (Residue 55: BMI, Nonterminal, was not found in name map.) (Residue 56: BMI, Nonterminal, was not found in name map.) (Residue 57: BMI, Nonterminal, was not found in name map.) (Residue 58: BMI, Nonterminal, was not found in name map.) (Residue 59: BMI, Nonterminal, was not found in name map.) (Residue 60: BMI, Nonterminal, was not found in name map.) (Residue 61: BMI, Nonterminal, was not found in name map.) (Residue 62: BMI, Nonterminal, was not found in name map.) (Residue 63: BMI, Nonterminal, was not found in name map.) (Residue 64: BMI, Nonterminal, was not found in name map.) (Residue 65: BMI, Nonterminal, was not found in name map.) (Residue 66: BMI, Nonterminal, was not found in name map.) (Residue 67: BMI, Nonterminal, was not found in name map.) (Residue 68: BMI, Nonterminal, was not found in name map.) (Residue 69: BMI, Nonterminal, was not found in name map.) (Residue 70: BMI, Nonterminal, was not found in name map.) (Residue 71: BMI, Nonterminal, was not found in name map.) (Residue 72: BMI, Nonterminal, was not found in name map.) (Residue 73: BMI, Nonterminal, was not found in name map.) (Residue 74: BMI, Nonterminal, was not found in name map.) (Residue 75: BMI, Nonterminal, was not found in name map.) (Residue 76: BMI, Nonterminal, was not found in name map.) (Residue 77: BMI, Nonterminal, was not found in name map.) (Residue 78: BMI, Nonterminal, was not found in name map.) (Residue 79: BMI, Nonterminal, was not found in name map.) (Residue 80: BMI, Nonterminal, was not found in name map.) (Residue 81: BMI, Nonterminal, was not found in name map.) (Residue 82: BMI, Nonterminal, was not found in name map.) (Residue 83: BMI, Nonterminal, was not found in name map.) (Residue 84: BMI, Nonterminal, was not found in name map.) (Residue 85: BMI, Nonterminal, was not found in name map.) (Residue 86: BMI, Nonterminal, was not found in name map.) (Residue 87: BMI, Nonterminal, was not found in name map.) (Residue 88: BMI, Nonterminal, was not found in name map.) (Residue 89: BMI, Nonterminal, was not found in name map.) (Residue 90: BMI, Nonterminal, was not found in name map.) (Residue 91: BMI, Nonterminal, was not found in name map.) (Residue 92: BMI, Nonterminal, was not found in name map.) (Residue 93: BMI, Nonterminal, was not found in name map.) (Residue 94: BMI, Nonterminal, was not found in name map.) (Residue 95: BMI, Nonterminal, was not found in name map.) (Residue 96: BMI, Nonterminal, was not found in name map.) (Residue 97: BMI, Nonterminal, was not found in name map.) (Residue 98: BMI, Nonterminal, was not found in name map.) (Residue 99: BMI, Nonterminal, was not found in name map.) (Residue 100: BMI, Nonterminal, was not found in name map.) (Residue 101: BMI, Nonterminal, was not found in name map.) (Residue 102: BMI, Nonterminal, was not found in name map.) (Residue 103: BMI, Nonterminal, was not found in name map.) (Residue 104: BMI, Nonterminal, was not found in name map.) (Residue 105: BMI, Nonterminal, was not found in name map.) (Residue 106: BMI, Nonterminal, was not found in name map.) (Residue 107: BMI, Nonterminal, was not found in name map.) (Residue 108: BMI, Nonterminal, was not found in name map.) (Residue 109: BMI, Nonterminal, was not found in name map.) (Residue 110: BMI, Nonterminal, was not found in name map.) (Residue 111: BMI, Nonterminal, was not found in name map.) (Residue 112: BMI, Nonterminal, was not found in name map.) (Residue 113: BMI, Nonterminal, was not found in name map.) (Residue 114: BMI, Nonterminal, was not found in name map.) (Residue 115: BMI, Nonterminal, was not found in name map.) (Residue 116: BMI, Nonterminal, was not found in name map.) (Residue 117: BMI, Nonterminal, was not found in name map.) (Residue 118: BMI, Nonterminal, was not found in name map.) (Residue 119: BMI, Nonterminal, was not found in name map.) (Residue 120: BMI, Nonterminal, was not found in name map.) (Residue 121: BMI, Nonterminal, was not found in name map.) (Residue 122: BMI, Nonterminal, was not found in name map.) (Residue 123: BMI, Nonterminal, was not found in name map.) (Residue 124: BMI, Nonterminal, was not found in name map.) (Residue 125: BMI, Nonterminal, was not found in name map.) (Residue 126: BMI, Nonterminal, was not found in name map.) (Residue 127: BMI, Nonterminal, was not found in name map.) (Residue 128: BMI, Nonterminal, was not found in name map.) (Residue 129: BMI, Nonterminal, was not found in name map.) (Residue 130: BMI, Terminal/last, was not found in name map.) (Residue 131: Cl-, Terminal/last, was not found in name map.) (Residue 132: Cl-, Terminal/last, was not found in name map.) (Residue 133: Cl-, Terminal/last, was not found in name map.) (Residue 134: Cl-, Terminal/last, was not found in name map.) (Residue 135: Cl-, Terminal/last, was not found in name map.) (Residue 136: Cl-, Terminal/last, was not found in name map.) (Residue 137: Cl-, Terminal/last, was not found in name map.) (Residue 138: Cl-, Terminal/last, was not found in name map.) (Residue 139: Cl-, Terminal/last, was not found in name map.) (Residue 140: Cl-, Terminal/last, was not found in name map.) (Residue 141: Cl-, Terminal/last, was not found in name map.) (Residue 142: Cl-, Terminal/last, was not found in name map.) (Residue 143: Cl-, Terminal/last, was not found in name map.) (Residue 144: Cl-, Terminal/last, was not found in name map.) (Residue 145: Cl-, Terminal/last, was not found in name map.) (Residue 146: Cl-, Terminal/last, was not found in name map.) (Residue 147: Cl-, Terminal/last, was not found in name map.) (Residue 148: Cl-, Terminal/last, was not found in name map.) (Residue 149: Cl-, Terminal/last, was not found in name map.) (Residue 150: Cl-, Terminal/last, was not found in name map.) (Residue 151: Cl-, Terminal/last, was not found in name map.) (Residue 152: Cl-, Terminal/last, was not found in name map.) (Residue 153: Cl-, Terminal/last, was not found in name map.) (Residue 154: Cl-, Terminal/last, was not found in name map.) (Residue 155: Cl-, Terminal/last, was not found in name map.) (Residue 156: Cl-, Terminal/last, was not found in name map.) (Residue 157: Cl-, Terminal/last, was not found in name map.) (Residue 158: Cl-, Terminal/last, was not found in name map.) (Residue 159: Cl-, Terminal/last, was not found in name map.) (Residue 160: Cl-, Terminal/last, was not found in name map.) (Residue 161: Cl-, Terminal/last, was not found in name map.) (Residue 162: Cl-, Terminal/last, was not found in name map.) (Residue 163: Cl-, Terminal/last, was not found in name map.) (Residue 164: Cl-, Terminal/last, was not found in name map.) (Residue 165: Cl-, Terminal/last, was not found in name map.) (Residue 166: Cl-, Terminal/last, was not found in name map.) (Residue 167: Cl-, Terminal/last, was not found in name map.) (Residue 168: Cl-, Terminal/last, was not found in name map.) (Residue 169: Cl-, Terminal/last, was not found in name map.) (Residue 170: Cl-, Terminal/last, was not found in name map.) (Residue 171: Cl-, Terminal/last, was not found in name map.) (Residue 172: Cl-, Terminal/last, was not found in name map.) (Residue 173: Cl-, Terminal/last, was not found in name map.) (Residue 174: Cl-, Terminal/last, was not found in name map.) (Residue 175: Cl-, Terminal/last, was not found in name map.) (Residue 176: Cl-, Terminal/last, was not found in name map.) (Residue 177: Cl-, Terminal/last, was not found in name map.) (Residue 178: Cl-, Terminal/last, was not found in name map.) (Residue 179: Cl-, Terminal/last, was not found in name map.) (Residue 180: Cl-, Terminal/last, was not found in name map.) (Residue 181: Cl-, Terminal/last, was not found in name map.) (Residue 182: Cl-, Terminal/last, was not found in name map.) (Residue 183: Cl-, Terminal/last, was not found in name map.) (Residue 184: Cl-, Terminal/last, was not found in name map.) (Residue 185: Cl-, Terminal/last, was not found in name map.) (Residue 186: Cl-, Terminal/last, was not found in name map.) (Residue 187: Cl-, Terminal/last, was not found in name map.) (Residue 188: Cl-, Terminal/last, was not found in name map.) (Residue 189: Cl-, Terminal/last, was not found in name map.) (Residue 190: Cl-, Terminal/last, was not found in name map.) (Residue 191: Cl-, Terminal/last, was not found in name map.) (Residue 192: Cl-, Terminal/last, was not found in name map.) (Residue 193: Cl-, Terminal/last, was not found in name map.) (Residue 194: Cl-, Terminal/last, was not found in name map.) (Residue 195: Cl-, Terminal/last, was not found in name map.) (Residue 196: Cl-, Terminal/last, was not found in name map.) (Residue 197: Cl-, Terminal/last, was not found in name map.) (Residue 198: Cl-, Terminal/last, was not found in name map.) (Residue 199: Cl-, Terminal/last, was not found in name map.) (Residue 200: Cl-, Terminal/last, was not found in name map.) (Residue 201: Cl-, Terminal/last, was not found in name map.) (Residue 202: Cl-, Terminal/last, was not found in name map.) (Residue 203: Cl-, Terminal/last, was not found in name map.) (Residue 204: Cl-, Terminal/last, was not found in name map.) (Residue 205: Cl-, Terminal/last, was not found in name map.) (Residue 206: Cl-, Terminal/last, was not found in name map.) (Residue 207: Cl-, Terminal/last, was not found in name map.) (Residue 208: Cl-, Terminal/last, was not found in name map.) (Residue 209: Cl-, Terminal/last, was not found in name map.) (Residue 210: Cl-, Terminal/last, was not found in name map.) (Residue 211: Cl-, Terminal/last, was not found in name map.) (Residue 212: Cl-, Terminal/last, was not found in name map.) (Residue 213: Cl-, Terminal/last, was not found in name map.) (Residue 214: Cl-, Terminal/last, was not found in name map.) (Residue 215: Cl-, Terminal/last, was not found in name map.) (Residue 216: Cl-, Terminal/last, was not found in name map.) (Residue 217: Cl-, Terminal/last, was not found in name map.) (Residue 218: Cl-, Terminal/last, was not found in name map.) (Residue 219: Cl-, Terminal/last, was not found in name map.) (Residue 220: Cl-, Terminal/last, was not found in name map.) (Residue 221: Cl-, Terminal/last, was not found in name map.) (Residue 222: Cl-, Terminal/last, was not found in name map.) (Residue 223: Cl-, Terminal/last, was not found in name map.) (Residue 224: Cl-, Terminal/last, was not found in name map.) (Residue 225: Cl-, Terminal/last, was not found in name map.) (Residue 226: Cl-, Terminal/last, was not found in name map.) (Residue 227: Cl-, Terminal/last, was not found in name map.) (Residue 228: Cl-, Terminal/last, was not found in name map.) (Residue 229: Cl-, Terminal/last, was not found in name map.) (Residue 230: Cl-, Terminal/last, was not found in name map.) (Residue 231: Cl-, Terminal/last, was not found in name map.) (Residue 232: Cl-, Terminal/last, was not found in name map.) Creating new UNIT for residue: aaa sequence: 1 Created a new atom named: N1 within residue: .R Created a new atom named: C1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: C3 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: N2 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: C6 within residue: .R Created a new atom named: C8 within residue: .R Created a new atom named: C9 within residue: .R Created a new atom named: C11 within residue: .R Created a new atom named: C12 within residue: .R Created a new atom named: C14 within residue: .R Created a new atom named: C15 within residue: .R Created a new atom named: H1 within residue: .R Created a new atom named: H2 within residue: .R Created a new atom named: H3 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: H5 within residue: .R Created a new atom named: H6 within residue: .R Created a new atom named: H7 within residue: .R Created a new atom named: H8 within residue: .R Created a new atom named: H9 within residue: .R Created a new atom named: H10 within residue: .R Created a new atom named: H11 within residue: .R Created a new atom named: H12 within residue: .R Created a new atom named: H16 within residue: .R Created a new atom named: H17 within residue: .R Created a new atom named: H18 within residue: .R Created a new atom named: H19 within residue: .R Created a new atom named: H23 within residue: .R Created a new atom named: H24 within residue: .R Created a new atom named: H25 within residue: .R Created a new atom named: H26 within residue: .R Created a new atom named: H30 within residue: .R Created a new atom named: H31 within residue: .R Created a new atom named: H32 within residue: .R Created a new atom named: H33 within residue: .R Creating new UNIT for residue: bbb sequence: 2 Starting new chain with Created a new atom named: N1 within residue: .R Created a new atom named: C1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: H1 within residue: .R Created a new atom named: H2 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: H3 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: C7 within residue: .R Created a new atom named: H8 within residue: .R Created a new atom named: H9 within residue: .R Created a new atom named: H10 within residue: .R Created a new atom named: H11 within residue: .R Created a new atom named: H15 within residue: .R Created a new atom named: H16 within residue: .R Creating new UNIT for residue: bbb sequence: 3 Starting new chain with Created a new atom named: N1 within residue: .R Created a new atom named: C1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: H1 within residue: .R Created a new atom named: H2 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: H3 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: C7 within residue: .R Created a new atom named: H8 within residue: .R Created a new atom named: H9 within residue: .R Created a new atom named: H10 within residue: .R Created a new atom named: H11 within residue: .R Created a new atom named: H15 within residue: .R Created a new atom named: H16 within residue: .R Creating new UNIT for residue: bbb sequence: 4 Starting new chain with Created a new atom named: N1 within residue: .R Created a new atom named: C1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: H1 within residue: .R Created a new atom named: H2 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: H3 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: C7 within residue: .R Created a new atom named: H8 within residue: .R Created a new atom named: H9 within residue: .R Created a new atom named: H10 within residue: .R Created a new atom named: H11 within residue: .R Created a new atom named: H15 within residue: .R Created a new atom named: H16 within residue: .R Creating new UNIT for residue: bbb sequence: 5 Starting new chain with Created a new atom named: N1 within residue: .R Created a new atom named: C1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: H1 within residue: .R Created a new atom named: H2 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: H3 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: C7 within residue: .R Created a new atom named: H8 within residue: .R Created a new atom named: H9 within residue: .R Created a new atom named: H10 within residue: .R Created a new atom named: H11 within residue: .R Created a new atom named: H15 within residue: .R Created a new atom named: H16 within residue: .R Creating new UNIT for residue: bbb sequence: 6 Starting new chain with Created a new atom named: N1 within residue: .R Created a new atom named: C1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: H1 within residue: .R Created a new atom named: H2 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: H3 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: C7 within residue: .R Created a new atom named: H8 within residue: .R Created a new atom named: H9 within residue: .R Created a new atom named: H10 within residue: .R Created a new atom named: H11 within residue: .R Created a new atom named: H15 within residue: .R Created a new atom named: H16 within residue: .R Creating new UNIT for residue: bbb sequence: 7 Starting new chain with Created a new atom named: N1 within residue: .R Created a new atom named: C1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: H1 within residue: .R Created a new atom named: H2 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: H3 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: C7 within residue: .R Created a new atom named: H8 within residue: .R Created a new atom named: H9 within residue: .R Created a new atom named: H10 within residue: .R Created a new atom named: H11 within residue: .R Created a new atom named: H15 within residue: .R Created a new atom named: H16 within residue: .R Creating new UNIT for residue: bbb sequence: 8 Starting new chain with Created a new atom named: N1 within residue: .R Created a new atom named: C1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: H1 within residue: .R Created a new atom named: H2 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: H3 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: C7 within residue: .R Created a new atom named: H8 within residue: .R Created a new atom named: H9 within residue: .R Created a new atom named: H10 within residue: .R Created a new atom named: H11 within residue: .R Created a new atom named: H15 within residue: .R Created a new atom named: H16 within residue: .R Creating new UNIT for residue: bbb sequence: 9 Starting new chain with Created a new atom named: N1 within residue: .R Created a new atom named: C1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: H1 within residue: .R Created a new atom named: H2 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: H3 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: C7 within residue: .R Created a new atom named: H8 within residue: .R Created a new atom named: H9 within residue: .R Created a new atom named: H10 within residue: .R Created a new atom named: H11 within residue: .R Created a new atom named: H15 within residue: .R Created a new atom named: H16 within residue: .R Creating new UNIT for residue: bbb sequence: 10 Starting new chain with Created a new atom named: N1 within residue: .R Created a new atom named: C1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: H1 within residue: .R Created a new atom named: H2 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: H3 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: C7 within residue: .R Created a new atom named: H8 within residue: .R Created a new atom named: H9 within residue: .R Created a new atom named: H10 within residue: .R Created a new atom named: H11 within residue: .R Created a new atom named: H15 within residue: .R Created a new atom named: H16 within residue: .R Creating new UNIT for residue: bbb sequence: 11 Starting new chain with Created a new atom named: N1 within residue: .R Created a new atom named: C1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: H1 within residue: .R Created a new atom named: H2 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: H3 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: C7 within residue: .R Created a new atom named: H8 within residue: .R Created a new atom named: H9 within residue: .R Created a new atom named: H10 within residue: .R Created a new atom named: H11 within residue: .R Created a new atom named: H15 within residue: .R Created a new atom named: H16 within residue: .R Creating new UNIT for residue: bbb sequence: 12 Starting new chain with Created a new atom named: N1 within residue: .R Created a new atom named: C1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: H1 within residue: .R Created a new atom named: H2 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: H3 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: C7 within residue: .R Created a new atom named: H8 within residue: .R Created a new atom named: H9 within residue: .R Created a new atom named: H10 within residue: .R Created a new atom named: H11 within residue: .R Created a new atom named: H15 within residue: .R Created a new atom named: H16 within residue: .R Creating new UNIT for residue: bbb sequence: 13 Starting new chain with Created a new atom named: N1 within residue: .R Created a new atom named: C1 within residue: .R Created a new atom named: C2 within residue: .R Created a new atom named: H1 within residue: .R Created a new atom named: H2 within residue: .R Created a new atom named: C4 within residue: .R Created a new atom named: C5 within residue: .R Created a new atom named: H3 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: C7 within residue: .R Created a new atom named: H8 within residue: .R Created a new atom named: H9 within residue: .R Created a new atom named: H10 within residue: .R Created a new atom named: H11 within residue: .R Created a new atom named: H15 within residue: .R Created a new atom named: H16 within residue: .R Creating new UNIT for residue: ccc sequence: 14 Starting new chain with Created a new atom named: C2 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: H5 within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: H6 within residue: .R Created a new atom named: H7 within residue: .R Creating new UNIT for residue: ccc sequence: 15 Starting new chain with Created a new atom named: C2 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: H5 within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: H6 within residue: .R Created a new atom named: H7 within residue: .R Creating new UNIT for residue: ccc sequence: 16 Starting new chain with Created a new atom named: C2 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: H5 within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: H6 within residue: .R Created a new atom named: H7 within residue: .R Creating new UNIT for residue: ccc sequence: 17 Starting new chain with Created a new atom named: C2 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: H5 within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: H6 within residue: .R Created a new atom named: H7 within residue: .R Creating new UNIT for residue: ccc sequence: 18 Starting new chain with Created a new atom named: C2 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: H5 within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: H6 within residue: .R Created a new atom named: H7 within residue: .R Creating new UNIT for residue: ccc sequence: 19 Starting new chain with Created a new atom named: C2 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: H5 within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: H6 within residue: .R Created a new atom named: H7 within residue: .R Creating new UNIT for residue: ccc sequence: 20 Starting new chain with Created a new atom named: C2 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: H5 within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: H6 within residue: .R Created a new atom named: H7 within residue: .R Creating new UNIT for residue: ccc sequence: 21 Starting new chain with Created a new atom named: C2 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: H5 within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: H6 within residue: .R Created a new atom named: H7 within residue: .R Creating new UNIT for residue: ccc sequence: 22 Starting new chain with Created a new atom named: C2 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: H5 within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: H6 within residue: .R Created a new atom named: H7 within residue: .R Creating new UNIT for residue: ccc sequence: 23 Starting new chain with Created a new atom named: C2 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: H5 within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: H6 within residue: .R Created a new atom named: H7 within residue: .R Creating new UNIT for residue: ccc sequence: 24 Starting new chain with Created a new atom named: C2 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: H5 within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: H6 within residue: .R Created a new atom named: H7 within residue: .R Creating new UNIT for residue: ccc sequence: 25 Starting new chain with Created a new atom named: C2 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: H5 within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: H6 within residue: .R Created a new atom named: H7 within residue: .R Creating new UNIT for residue: ccc sequence: 26 Starting new chain with Created a new atom named: C2 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: H5 within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: H6 within residue: .R Created a new atom named: H7 within residue: .R Creating new UNIT for residue: ccc sequence: 27 Starting new chain with Created a new atom named: C2 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: H5 within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: H6 within residue: .R Created a new atom named: H7 within residue: .R Creating new UNIT for residue: ccc sequence: 28 Starting new chain with Created a new atom named: C2 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: H5 within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: H6 within residue: .R Created a new atom named: H7 within residue: .R Creating new UNIT for residue: ccc sequence: 29 Starting new chain with Created a new atom named: C2 within residue: .R Created a new atom named: H4 within residue: .R Created a new atom named: H5 within residue: .R Created a new atom named: N1 within residue: .R Created a new atom named: H6 within residue: .R Created a new atom named: H7 within residue: .R Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI Starting new chain with BMI total atoms in file: 2978 The file contained 326 atoms not in residue templates > quit Quit