enddo
100 format (//' alpha-carbon coordinates ',
& ' centroid coordinates'/
- 1 ' ', 6X,'X',11X,'Y',11X,'Z',
+ 1 ' ', 7X,'X',11X,'Y',11X,'Z',
& 10X,'X',11X,'Y',11X,'Z')
- 110 format (a,'(',i3,')',6f12.5)
+ 110 format (a,'(',i4,')',6f12.5)
return
end