program converti parameter(max=50000) character*30 pdbfil,dyafil,uplfil character*2 sd1(max),sd2(max),sg1(max),sg2(max),se1(max),se2(max) character*2 se3(max),sz2(max),sz3(max),sz1(max) character*2 hd1(max),hd2(max),hg1(max),hg2(max),he1(max),he2(max) character*2 he3(max),hz2(max),hz3(max),hh1(max),hh2(max) character*2 hd11(max),hd12(max),hd13(max),hh12(max),hh22(max) character*2 sg21(max),sg22(max),sg23(max),ff(max) character*2 se21(max),se22(max),se23(max) character*2 sg11(max),sg12(max),sg13(max) character*2 sg31(max),sg32(max),sg33(max),sg3(max) character*2 hd21(max),hd22(max),hd23(max),hz1(max) character*2 sd11(max),sd12(max),sd13(max),ss1(max) character*5 atnam,atnam1(max),sim,simm(max),bolo,myname character*4 resnam,identf,seqres(max),numero character*2 AA, esad real x,y,z,x1,z1,y1 integer cont,atnum,nn,nha,b,ncont,le1,le2,le3,le4,le5 integer nca,no,nc,nhn,nres,npseudres integer seqnum(max),resnum real cor(3,max) print*,'Pdb filname (senza intestazione nè coda)' read*,pdbfil print*,'pseudoresidue name (eg. RMZ - use only 3 letters)' read*,myname print*,'pseudoresidue number into the sequence' read*,npseudres print*,'dyana filname (eg. 1RMZ.lib)' read*,dyafil print*,'UPL filname (eg. 1RMZ.upl)' read*,uplfil print*,'UPL range (eg. 0.1)' read*,uplrnge open (11,file=pdbfil,status='OLD') cont=0 b=3 ncont=0 10 read (11,50,end=100) identf,atnum,atnam,resnam,resnum,x,y,z cont=cont+1 atnam1(cont)=atnam seqres(cont)=resnam seqnum(cont)=resnum cor(1,cont)=x cor(2,cont)=y cor(3,cont)=z c end if 50 format (A6,I5,1X,A5,A4,1X,I4,4X,3(F8.3)) !ATOM 3 C4' DG A 1 7.197 0.121 -11.176 1.00 0.00 C go to 10 100 continue open(13,file=uplfil,status='unknown') open(12,file=dyafil,status='unknown') !uplrnge=0.1 !myname=myname do k=1,cont AA=esad(seqnum(k)) !atnam=atnam1(k) !resnam=seqres(k) !resnum=seqnum(k) !write(12,800) !write(13,900) ! b=b+1 ! if (seqnum(k).le.9) then ! write(12,200) b,'HH',seqnum(k),'DUMMY',cor(1,k), ! * cor(2,k),cor(3,k),b-1,0,0,0,0 ! write(13,900)npseudres,myname,atnam(1:2) // AA,resnum,resnam, ! * atnam,'0.100' ! !!!write(13,900)npseudres,myname,'HN',seqnum(k),seqnum(k),seqres(k),atnam1(k),uplrnge ! else !!!!!!!!write(13,900)npseudres,myname,'HN'//AA ! if(seqnum(k).gt.99)then ! write(12,250) b,'HH',AA,'DUMMY',cor(1,k), ! * cor(2,k),cor(3,k),b-1,0,0,0,0 ! write(13,900)npseudres,myname,atnam(1:2) // AA,resnum,resnam, ! * atnam,'0.100' ! else ! write(12,150) b,'HH',AA,'DUMMY',cor(1,k), ! * cor(2,k),cor(3,k),b-1,0,0,0,0 ! write(13,900)npseudres,myname,atnam(1:2) // AA,resnum,resnam, ! * atnam,'0.100' ! end if if (atnam1(k).eq.'HN ') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'HN'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HN'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,'HN',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HN'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'HN',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HN'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq.'HA ') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'HA'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HA'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'HA',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HA'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'HA',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HA'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq.'HB ') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'HB'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HB'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'HB',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HB'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'HB',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HB'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq.'HE ') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'HE'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HE'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'HE',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HE'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'HE',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HE'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq.'HH ') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'HH'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HH'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'HH',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HH'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'HH',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HH'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq.'HZ ') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'HZ'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HZ'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'HZ',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HZ'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'HZ',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HZ'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq.'HG ') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'HG'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HG'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'HG',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HG'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'HG',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HG'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq.' N ') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'NN'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'NN'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,'NN',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'NN'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'NN',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'NN'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq.' CA ') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'CA'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,0,b+2,0 write(13,900)npseudres,myname,'CA'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,'CA',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,0,b+2,0 write(13,900)npseudres,myname,'CA'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'CA',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,0,b+2,0 write(13,900)npseudres,myname,'CA'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq.' C ') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'CC'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'CC'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,'CC',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'CC'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'CC',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'CC'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq.' O ') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'OO'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'OO'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'OO',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'OO'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150)b,'OO',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'OO'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq.' CB ') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'CB'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,0,0,0,0 write(13,900)npseudres,myname,'CB'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,'CB',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,0,0,0,0 write(13,900)npseudres,myname,'CB'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'CB',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,0,0,0,0 write(13,900)npseudres,myname,'CB'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq.'HD1 ') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'LL'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'LL'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,'LL',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'LL'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'LL',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'LL'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(3:4).eq.'D1') then b=b+1 sd1(k)=atnam1(k)(2:2)//'L' if (seqnum(k).le.9) then write(12,200) b,sd1(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sd1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,sd1(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sd1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,sd1(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sd1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(2:3).eq.'D1') then c b=b+1 if (atnam1(k)(2:4).eq.'D11')then b=b+1 hd13(k)='LA' if (seqnum(k).le.9) then write(12,200) b,hd13(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hd13(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,hd13(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hd13(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,hd13(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hd13(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if if(atnam1(k)(2:4).eq.'D12')then b=b+1 hd11(k)='LB' if (seqnum(k).le.9) then write(12,200) b,hd11(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hd11(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,hd11(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hd11(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,hd11(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hd11(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if if (atnam1(k)(2:4).eq.'D13') then b=b+1 hd12(k)='LC' if (seqnum(k).le.9) then write(12,200) b,hd12(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hd12(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,hd12(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hd12(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,hd12(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hd12(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if else if (atnam1(k).eq.'HD2 ') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'MM'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'MM'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,'MM',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'MM'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'MM',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'MM'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(3:4).eq.'D2') then b=b+1 sd2(k)=atnam1(k)(2:2)//'M' if (seqnum(k).le.9) then write(12,200) b,sd2(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sd2(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,sd2(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sd2(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,sd2(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sd2(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(2:3).eq.'D2') then if (atnam1(k)(2:4).eq.'D21') then b=b+1 hd21(k)='MA' if (seqnum(k).le.9) then write(12,200) b,hd21(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hd21(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,hd21(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hd21(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,hd21(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hd21(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if if (atnam1(k)(4:4).eq.'D22')then b=b+1 hd22(k)='MB' if (seqnum(k).le.9) then write(12,200) b,hd22(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hd22(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,hd22(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hd22(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,hd22(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hd22(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if if (atnam1(k)(2:4).eq.'D23') then b=b+1 hd23(k)='MC' if (seqnum(k).le.9) then write(12,200) b,hd23(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hd23(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,hd23(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hd23(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,hd23(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hd23(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if else if (atnam1(k).eq.'HD3 ') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'SS'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'SS'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,'SS',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'SS'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'SS',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'SS'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(3:4).eq.'D3') then b=b+1 ss1(k)=atnam1(k)(2:2)//'S' if (seqnum(k).le.9) then write(12,200) b,ss1(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, ss1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,ss1(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, ss1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,ss1(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, ss1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(2:3).eq.'D3') then if (atnam1(k)(2:4).eq.'D31')then b=b+1 sd13(k)='SA' if (seqnum(k).le.9) then write(12,200) b,sd13(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sd13(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,sd13(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sd13(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,sd13(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sd13(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if if(atnam1(k)(2:4).eq.'D32')then b=b+1 sd11(k)='SB' if (seqnum(k).le.9) then write(12,200) b,sd11(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sd11(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,sd11(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sd11(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,sd11(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sd11(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if if (atnam1(k)(2:4).eq.'D33') then b=b+1 sd12(k)='SC' if (seqnum(k).le.9) then write(12,200) b,sd12(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sd12(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,sd12(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sd12(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,sd12(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sd12(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if else if (atnam1(k).eq.'HG1 ') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'WW'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'WW'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,'WW',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'WW'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'WW',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'WW'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(3:4).eq.'G1') then b=b+1 sg1(k)=atnam1(k)(2:2)//'W' if (seqnum(k).le.9) then write(12,200) b,sg1(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,sg1(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,sg1(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(2:3).eq.'G1') then if (atnam1(k)(2:4).eq.'G11')then b=b+1 sg11(k)='WA' if (seqnum(k).le.9) then write(12,200) b,sg11(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg11(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,sg11(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg11(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,sg11(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg11(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if if (atnam1(k)(2:4).eq.'G12') then b=b+1 sg12(k)='WB' if (seqnum(k).le.9) then write(12,200) b,sg12(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg12(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,sg12(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg12(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,sg12(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg12(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if if (atnam1(k)(2:4).eq.'G13') then b=b+1 sg13(k)='WC' if (seqnum(k).le.9) then write(12,200) b,sg13(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg13(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,sg13(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg13(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,sg13(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg13(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if else if (atnam1(k).eq.'HG2 ') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'XX'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'XX'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,'XX',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'XX'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'XX',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'XX'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(3:4).eq.'G2') then b=b+1 sg2(k)=atnam1(k)(2:2)//'X' if (seqnum(k).le.9) then write(12,200) b,sg2(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg2(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,sg2(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg2(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,sg2(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg2(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(2:3).eq.'G2') then if (atnam1(k)(2:4).eq.'G21') then b=b+1 sg21(k)='XA' if (seqnum(k).le.9) then write(12,200) b,sg21(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg21(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,sg21(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg21(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,sg21(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg21(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if if (atnam1(k)(2:4).eq.'G22') then b=b+1 sg22(k)='XB' if (seqnum(k).le.9) then write(12,200) b,sg22(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg22(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,sg22(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg22(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,sg22(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg22(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if if (atnam1(k)(2:4).eq.'G23') then b=b+1 sg23(k)='XC' if (seqnum(k).le.9) then write(12,200) b,sg23(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg23(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,sg23(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg23(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,sg23(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg23(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if else if (atnam1(k).eq.'HG3 ') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'II'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'II'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,'II',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'II'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'II',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-2,b+1,b+2,0,0 write(13,900)npseudres,myname,'II'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(3:4).eq.'G3') then b=b+1 sg3(k)=atnam1(k)(2:2)//'I' if (seqnum(k).le.9) then write(12,200) b,sg3(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg3(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,sg3(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg3(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,sg3(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg3(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(2:3).eq.'G3') then if (atnam1(k)(2:4).eq.'G31')then b=b+1 sg31(k)='IA' if (seqnum(k).le.9) then write(12,200) b,sg31(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg31(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,sg31(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg31(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,sg31(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg31(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if if (atnam1(k)(2:4).eq.'G32') then b=b+1 sg32(k)='IB' if (seqnum(k).le.9) then write(12,200) b,sg32(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg32(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,sg32(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg32(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,sg32(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg32(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if if (atnam1(k)(2:4).eq.'G33') then b=b+1 sg33(k)='IC' if (seqnum(k).le.9) then write(12,200) b,sg33(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg33(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,sg33(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg33(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,sg33(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sg33(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if else if (atnam1(k)(3:4).eq.'E1') then b=b+1 se1(k)=atnam1(k)(2:2)//'Y' if (seqnum(k).le.9) then write(12,200) b,se1(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, se1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,se1(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, se1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,se1(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, se1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(2:3).eq.'E1') then b=b+1 he1(k)='YY' if (seqnum(k).le.9) then write(12,200) b,he1(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, he1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,he1(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, he1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,he1(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, he1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(3:4).eq.'E2') then b=b+1 se2(k)=atnam1(k)(2:2)//'R' if (seqnum(k).le.9) then write(12,200) b,se2(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, se2(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,se2(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, se2(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,se2(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, se2(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(2:3).eq.'E2') then if (atnam1(k)(2:4).eq.'E21') then b=b+1 se21(k)='RA' if (seqnum(k).le.9) then write(12,200) b,se21(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, se21(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,se21(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, se21(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,se21(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, se21(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if if (atnam1(k)(2:4).eq.'E22') then b=b+1 se22(k)='RB' if (seqnum(k).le.9) then write(12,200) b,se22(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, se22(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,se22(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, se22(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,se22(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, se22(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if if (atnam1(k)(2:4).eq.'E23') then b=b+1 se23(k)='RC' if (seqnum(k).le.9) then write(12,200) b,se23(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, se23(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,se23(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, se23(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,se23(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, se23(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if else if (atnam1(k).eq.'HE2 ') then b=b+1 he2(k)='RR' if (seqnum(k).le.9) then write(12,200) b,he2(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, he2(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,he2(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, he2(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,he2(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, he2(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(3:4).eq.'E3') then b=b+1 se3(k)=atnam1(k)(2:2)//'K' if (seqnum(k).le.9) then write(12,200) b,se3(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, se3(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,se3(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, se3(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,se3(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, se3(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(2:3).eq.'E3') then b=b+1 he3(k)='KK' if (seqnum(k).le.9) then write(12,200) b,he3(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, he3(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,he3(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, he3(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,he3(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, he3(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if c else c end if else if (atnam1(k)(3:4).eq.'Z1') then b=b+1 sz1(k)=atnam1(k)(2:2)//'F' if (seqnum(k).le.9) then write(12,200) b,sz1(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sz1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,sz1(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sz1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,sz1(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sz1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(2:3).eq.'Z1') then b=b+1 hz1(k)='ZA' if (seqnum(k).le.9) then write(12,200) b,hz1(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hz1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,hz1(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hz1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,hz1(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hz1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(3:4).eq.'Z2') then b=b+1 sz2(k)=atnam1(k)(2:2)//'P' if (seqnum(k).le.9) then write(12,200) b,sz2(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sz2(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,sz2(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sz2(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,sz2(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sz2(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(2:3).eq.'Z2') then b=b+1 hz2(k)='ZB' if (seqnum(k).le.9) then write(12,200) b,hz2(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hz2(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,hz2(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hz2(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,hz2(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hz2(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(3:4).eq.'Z3') then b=b+1 sz3(k)=atnam1(k)(2:2)//'V' if (seqnum(k).le.9) then write(12,200) b,sz3(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sz3(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,sz3(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sz3(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,sz3(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, sz3(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(2:3).eq.'Z3') then b=b+1 hz3(k)='ZC' if (seqnum(k).le.9) then write(12,200) b,hz3(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hz3(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,hz3(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hz3(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,hz3(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hz3(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if c else c end if else if (atnam1(k)(2:4).eq.'CH2') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'WT'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'WT'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,'WT',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'WT'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'WT',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'WT'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq.'HH11') then b=b+1 hh1(k)='JA' if (seqnum(k).le.9) then write(12,200) b,hh1(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hh1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,hh1(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hh1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,hh1(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hh1(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq.'HH12') then b=b+1 hh12(k)='JB' if (seqnum(k).le.9) then write(12,200) b,hh12(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hh12(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,hh12(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hh12(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,hh12(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hh12(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq.'HH21') then b=b+1 hh2(k)='QA' if (seqnum(k).le.9) then write(12,200) b,hh2(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hh2(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,hh2(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hh2(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,hh2(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hh2(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq.'HH22') then b=b+1 hh22(k)='QB' if (seqnum(k).le.9) then write(12,200) b,hh22(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hh22(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,hh22(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hh22(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,hh22(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, hh22(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(2:4).eq.'NH1') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'NT'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'NT'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,'NT',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'NT'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'NT',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'NT'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if c else c end if else if (atnam1(k)(2:4).eq.'NH2') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'MT'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'MT'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,'MT',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'MT'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'MT',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'MT'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(1:3).eq.'HA1') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'KT'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'KT'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,'KT',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'KT'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'KT',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'KT'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if c else c end if else if (atnam1(k)(1:3).eq.'HA2') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'YT'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'YT'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,'YT',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'YT'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'YT',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'YT'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(1:3).eq.'HB1') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'BA'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'BA'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,'BA',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'BA'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'BA',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'BA'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(1:3).eq.'HB2') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'BB'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'BB'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,'BB',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'BB'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'BB',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'BB'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k)(1:3).eq.'HB3') then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'BC'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'BC'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,'BC',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'BC'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'BC',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, 'BC'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if !---------------------------------------------------------------- ! da qui inserisco gli atomi per il DNA !---------------------------------------------------------------- !----------------- H#'' --> J# ------------------------------ else if (atnam1(k).eq."H2'' ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'J2'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'J2'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'J2',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'J2'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'J2',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'J2'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq."H5'' ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'J5'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'J5'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'J5',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'J5'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'J5',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'J5'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if !----------------- H#' --> Y# ------------------------------ else if (atnam1(k).eq." H1' ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'Y1'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'Y1'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'Y1',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'Y1'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'Y1',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'Y1'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq." H2' ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'Y2'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'Y2'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'Y2',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'Y2'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'Y2',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'Y2'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq." H3' ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'Y3'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'Y3'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'Y3',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'Y3'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'Y3',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'Y3'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq." H4' ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'Y4'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'Y4'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'Y4',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'Y4'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'Y4',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'Y4'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq." H5' ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'Y5'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'Y5'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'Y5',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'Y5'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'Y5',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'Y5'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if !----------------- H --> HH ------------------------------ else if (atnam1(k).eq." H ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'HH'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HH'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'HH',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HH'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'HH',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'HH'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if !----------------- H## --> ## ------------------------------ else if (atnam1(k).eq." H21 ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'21'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'21'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'21',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'21'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'21',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'21'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq." H22 ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'22'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'22'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'22',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'22'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'22',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'22'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq." H41 ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'41'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'41'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'41',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'41'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'41',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'41'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq." H42 ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'42'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'42'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'42',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'42'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'42',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'42'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq." H61 ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'61'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'61'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'61',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'61'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'61',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'61'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq." H62 ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'62'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'62'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'62',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'62'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'62',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'62'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq." H71 ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'71'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'71'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'71',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'71'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'71',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'71'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq." H72 ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'72'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'72'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'72',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'72'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'72',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'72'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if else if (atnam1(k).eq." H73 ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'73'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'73'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'73',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'73'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'73',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'73'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if !----------------- HO5' --> K5 ------------------------------ else if (atnam1(k).eq."HO5' ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'K5'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'K5'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'K5',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'K5'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'K5',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'K5'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if !----------------- P --> P0 ------------------------------ else if (atnam1(k).eq." P ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'P0'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'P0'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'P0',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'P0'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'P0',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'P0'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if !----------------- OP1 --> P1 ------------------------------ else if (atnam1(k).eq." OP1 ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'P1'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'P1'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'P1',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'P1'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'P1',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'P1'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if !----------------- OP2 --> P2 ------------------------------ else if (atnam1(k).eq." OP2 ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'P2'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'P2'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'P2',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'P2'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'P2',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'P2'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if !----------------- O5' --> W5 ------------------------------ else if (atnam1(k).eq." O5' ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'W5'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'W5'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'W5',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'W5'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'W5',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'W5'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if !----------------- O4' --> W4 ------------------------------ else if (atnam1(k).eq." O4' ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'W4'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'W4'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'W4',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'W4'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'W4',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'W4'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if !----------------- O3' --> W3 ------------------------------ else if (atnam1(k).eq." O3' ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'W3'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'W3'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'W3',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'W3'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'W3',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'W3'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if !----------------- C5' --> X5 ------------------------------ else if (atnam1(k).eq." C5' ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'X5'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'X5'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'X5',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'X5'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'X5',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'X5'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if !----------------- C4' --> X4 ------------------------------ else if (atnam1(k).eq." C4' ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'X4'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'X4'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'X4',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'X4'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'X4',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'X4'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if !----------------- C3' --> X3 ------------------------------ else if (atnam1(k).eq." C3' ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'X3'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'X3'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'X3',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'X3'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'X3',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'X3'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if !----------------- C2' --> X2 ------------------------------ else if (atnam1(k).eq." C2' ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'X2'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'X2'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'X2',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'X2'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'X2',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'X2'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if !----------------- C1' --> X1 ------------------------------ else if (atnam1(k).eq." C1' ") then b=b+1 if (seqnum(k).le.9) then write(12,200) b,'X1'//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'X1'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if (seqnum(k).gt.99) then write(12,250) b,'X1',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'X1'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,'X1',AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),b-1,0,0,0,0 write(13,900)npseudres,myname,'X1'//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if !---------------------------------------------------------------- ! fine atomi per il DNA !---------------------------------------------------------------- else b=b+1 ff(k)=atnam1(k)(2:3)//'Z' if (seqnum(k).le.9) then write(12,200) b,ff(k)//AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, ff(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else if(seqnum(k).gt.99)then write(12,250) b,ff(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, ff(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge else write(12,150) b,ff(k),AA,'DUMMY',cor(1,k), * cor(2,k),cor(3,k),0,0,0,0,0 write(13,900)npseudres,myname, ff(k)//AA,seqnum(k),seqres(k), * atnam1(k),uplrnge end if end if end if end do 150 format(I4,1x,A2,A2,1x,A5,' 0 0.0000',f10.4,f10.4,f10.4,1x, * I4,1x,I4,1x,I4,1x,I4,1x,I4) 200 format(I4,1x,A4,1x,A5,' 0 0.0000',f10.4,f10.4,f10.4,1x, * I4,1x,I4,1x,I4,1x,I4,1x,I4) 250 format(I4,1x,A2,A2,1x,A5,' 0 0.0000',f10.4,f10.4,f10.4,1x, * I4,1x,I4,1x,I4,1x,I4,1x,I4) 400 format(9x,A2,I1,5x,I4,1X,A4,5X,A5,1x,f5.3) 500 format(9x,A2,I3,3x,I4,1X,A4,5X,A5,1x,f5.3) 300 format(9x,A2,I2,4X,I4,1X,A4,5X,A5,1x,f5.3) 900 format(i3,1x,a5,a4,2x,i3,1x,a4,a4,3x,f6.2,' 1.00E+00') endfile(12) endfile(13) stop end function esad(n) character*2 esad integer n,m,r,q character c1,c2 q=abs(n/36) r=abs(mod(n,36)) select case (q) case (0) c1='0' case (1) c1='1' case (2) c1='2' case (3) c1='3' case (4) c1='4' case (5) c1='5' case (6) c1='6' case (7) c1='7' case (8) c1='8' case (9) c1='9' case (10) c1='A' case (11) c1='B' case (12) c1='C' case (13) c1='D' case (14) c1='E' case (15) c1='F' case (16) c1='G' case (17) c1='H' case (18) c1='I' case (19) c1='J' case (20) c1='K' case (21) c1='L' case (22) c1='M' case (23) c1='N' case (24) c1='O' case (25) c1='P' case (26) c1='Q' case (27) c1='R' case (28) c1='S' case (29) c1='T' case (30) c1='U' case (31) c1='V' case (32) c1='W' case (33) c1='X' case (34) c1='Y' case (35) c1='Z' end select select case (r) case (0) c2='0' case (1) c2='1' case (2) c2='2' case (3) c2='3' case (4) c2='4' case (5) c2='5' case (6) c2='6' case (7) c2='7' case (8) c2='8' case (9) c2='9' case (10) c2='A' case (11) c2='B' case (12) c2='C' case (13) c2='D' case (14) c2='E' case (15) c2='F' case (16) c2='G' case (17) c2='H' case (18) c2='I' case (19) c2='J' case (20) c2='K' case (21) c2='L' case (22) c2='M' case (23) c2='N' case (24) c2='O' case (25) c2='P' case (26) c2='Q' case (27) c2='R' case (28) c2='S' case (29) c2='T' case (30) c2='U' case (31) c2='V' case (32) c2='W' case (33) c2='X' case (34) c2='Y' case (35) c2='Z' end select esad=c1 // c2 return end