subroutine char SEGMENTS rena atom CD1 sele resi name ILE .a atom name CD .a segm name SEGMENTS end ! rena resi HIS sele resi name HIS .a segm name SEGMENTS end rena atom OD1 sele atom name AD1 .and resi name ASN end rena atom ND2 sele atom name AD2 .and resi name ASN end rena atom OE1 sele atom name AE1 .and resi name GLN end rena atom NE2 sele atom name AE2 .and resi name GLN end rena atom O sele atom name OT1 .a segm name SEGMENTS end rena atom OXT sele atom name OT2 .a segm name SEGMENTS end rena atom C sele atom name CXT .a segm name SEGMENTS end !rena atom OT1 sele atom name O .a by resi atom name OXT end !rena atom OT2 sele atom name OXT end rena resi H2O sele resi name TIP3 HOH SOL WAT end rena atom OH2 sele resi name H2O .a atom name O* end rena atom CA sele atom name KA end rena resi CAL sele resi name KA end return