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SG GLN OE1 NE2 HE21HE22GLU OE2 GLY HIS ND1 HD1 CD2 CE1 ILE CG1 CG2 LEU CD1 LYS CE NZ HZ1 HZ2 HZ3 MET SD PHE CE2 PRO SER OG HG THR OG1 HG1 TRP NE1 HE1 CE3 CZ2 CZ3 CH2 TYR OH HH VAL ARGNASPHHD GLUHLYSNHSC HE2 HSD NOTE: N and C terminals have never the standard number of residues USAGE: search RTF recep.pdb lignd.pdb Nr_of_extra_ligands Contact_Ener Surface_onlyRTF: Indicate the location of the RTF filerecep and lignd pdbs must have polar hydrogens (united atom)Nr_of_extra_ligands: number of extra rigid-body ligands to be screened If Nr > 0, Nr new file names are read as standard inputDetailed Contact Energy Info: 1->No; Other->YesFiles fort.19 and fort.20 have the pdbs renumbered as in the residue contactsDesolvation of surface atoms only: 1->No; Other->Yes (slow)Carlos J. Camacho and Chao Zhang, Bioinformatics 2005OCT1OCT2ENDHTN CDOCC Warning: This atom does not have a known atom type ACP is set to 0Residue ----- CONFORMATION NUMBER: Electrostatic (4r) Energy: Desolvation Free Energy: ----------------------------------------------Top 20 Min & Max residues contributing to the binding free energy-----------------Top 20 Min & Max ligand residues contributing to the desolvation free energythe electrostatics energyTop 20 Min & Max receptor residues contributing to Top 20 Min & Max receptor-ligand residue electrostatic contacts--------------------------free energy contacts THE END C ?@f@@@@5@A(A80)(5x,a4,8x,f5.2)(5x,a4,1x,a4)RESIATOMBONDError RTFUnknown atom: Geometrical Center ****STARTING HE21 NT N HE22 HD21 HD22 HH11 HH12 HH21 HH22 OCT1 OCT2CD1 ILECD ILE has atoms more than normalMax number of residues (1600) has been exceededunknown residueOXT HT1 HT2 HT3 UNKNOWN Atom type:in residue WARNING Unknow atom:Atom is removed from the calculations (uncharged H) INCREASE NSATMINCREASE NCUBEINCREASE NACIO=ICT=NT w  ?@D@@@@Ac2l,ll2l2l2 (ATOM,I7,2X,O ,A4,E,I4,4X,3F8.3,18X,A4)(ATOM,I7,2X,OXT ,A4,E,I4,4X,3F8.3,18X,A4)(ATOM,I7,2X,A4,A4,E,I4,4X,3F8.3,18X,A4)l `(ATOM,I7,2X,O ,A4,I,I4,4X,3F8.3,18X,A4)(ATOM,I7,2X,OXT ,A4,I,I4,4X,3F8.3,18X,A4)(ATOM,I7,2X,A4,A4,I,I4,4X,3F8.3,18X,A4)lllmmmmmmmmllll,l  2l |ttPP(5X,A4,1X,A4,3X,F5.2,3X,F6.3)tP|tc8P8P8Pc8P8P(30X,3F8.3)) $ lH  LD4oooXRbrˆ҈"2BRbr‰҉GCC: (GNU) 3.2.3 20030502 (Red Hat Linux 3.2.3-20)GCC: (GNU) 3.2.3 20030502 (Red Hat Linux 3.2.3-20)GCC: (GNU) 3.2.3 20030502 (Red Hat Linux 3.2.3-20)GCC: (GNU) 3.2.3 20030502 (Red Hat Linux 3.2.3-20)GCC: (GNU) 3.2.3 20030502 (Red Hat Linux 3.2.3-20)GCC: (GNU) 3.2.3 20030502 (Red Hat Linux 3.2.3-20)GCC: (GNU) 3.2.3 20030502 (Red Hat Linux 3.2.3-20).symtab.strtab.shstrtab.interp.note.ABI-tag.hash.dynsym.dynstr.gnu.version.gnu.version_r.rel.dyn.rel.plt.init.text.fini.rodata.eh_frame.data.dynamic.ctors.dtors.jcr.got.bss.comment#(( 1HH<7 ?GoPToPc 44l DD u$$p<<{ ll pvpX XX 88 @@ HH LL  #   lL T  t! 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