remarks changed Tue Sep  2 09:48:07 CDT 2003
 remarks bye jfd to include a physical bond to the Zn ion.
 remarks 

topology 
{===>} @TOPPAR:topallhdg5.3.pro
end

segment  name="A" 
    chain 
        @TOPPAR:topallhdg5.3.pep
        sequence
met ser phe glu lys ile cys ser leu asp asp ile trp val gly glu met glu thr phe
glu thr ser asp gly thr glu val leu ile val asn ser glu glu his gly val lys ala
tyr gln ala met cys pro his gln glu ile leu leu ser glu gly ser tyr glu gly gly
val ile thr cys arg ala his leu trp thr phe asn asp gly thr gly his gly ile asn
pro asp asp cys cys leu ala glu tyr pro val glu val lys gly asp asp ile tyr val
ser thr lys gly ile leu pro asn lys ala his ser
	end
    end
    chain 
         sequence fes end
    end 
end
! FES will be residue 113 by this def.
!
!his 47 Nd1            Sg-cys 45
!          \    S1    /
!            Fe2   Fe1 
!	  /    S2    \
!his 67 Nd1            Sg-cys 64


                              {* disulfide bridge  ...CYS - DISU - CYS...  *}
                              {* w/o the actual bond                       *}
! removes the hydrogen on the cys-en
patch DISN reference=1=( resid 45 )
	   reference=2=( resid 64 ) end

				 {* Patch to change doubly protonated HIS  *}

patch HISD reference=nil=( resid 12 ) end
patch HISE reference=nil=( resid 16 ) end

patch HISE reference=nil=( resid 24 ) end


							    {* C1   C2 *}
							    {*  \  /   *}
							    {*   Zn5   *}
							    {*  /  \   *}
							    {* H3   H4 *}
patch  ZINE
     reference=1=( resid 40 )
     reference=2=( resid 43 )
     reference=3=( resid 12 )
     reference=4=( resid 16 )
     reference=5=( resid 47 )
end

 write structure output=tmoc.psf end
 
 stop