#200 steps of minimization, distance-dependent dielectric in AMBER7 &cntrl maxcyc=200, imin=1, ntmin=1, ncyc=100, nsnb=20, igb=0,ntb=0,cut=10.0, dielc=1.0, ntpr=10, ntr=1, &end &ewald eedmeth=5, &end restrain protein atoms except H, ligand, and wat 32.0 FIND * CT * * * C * * * C* * * SEARCH RES 1 388 END restrain protein atoms except H 32.0 FIND * CA * * * CB * * * CC * * * CK * * * CM * * * CN * * * CQ * * * CR * * * CV * * * CW * * SEARCH RES 1 388 END restrain protein atoms except H 32.0 FIND * N3 * * * N * * * N* * * * N2 * * * NA * * * NB * * * NC * * SEARCH RES 1 388 END restrain protein atoms except H 32.0 FIND * OH * * * OS * * * O * * * O2 * * * P * * * S * * * SH * * SEARCH RES 1 388 END END