! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI SME 0.00 ! Methionine sulfoxide GROUP ATOM N NH1 -0.4700 ATOM HN H 0.3100 ATOM CA CT1 0.0700 ATOM HA HB 0.0900 GROUP ATOM CB CT2 -0.1800 ATOM HB2 HA 0.0900 ATOM HB1 HA 0.0900 GROUP ATOM CG CT2 0.0100 ATOM HG1 HA 0.0900 ATOM HG2 HA 0.0900 ATOM SD SO 0.12 ATOM OE O -0.5000 ATOM CE CT3 -0.0800 ATOM HE3 HA 0.0900 ATOM HE2 HA 0.0900 ATOM HE1 HA 0.0900 GROUP ATOM C C 0.5100 ATOM O O -0.5100 BOND CB CA N HN N CA C CA C +N CA HA DOUBLE O C BOND CG HG1 BOND CG HG2 BOND CB CG BOND SD CG BOND HB2 CB BOND HB1 CB BOND CE HE3 BOND CE HE2 BOND CE SD BOND OE SD BOND HE1 CE IMPR N -C CA HN C CA +N O IMPR SD OE CE CG CMAP -C N CA C N CA C +N IC -C CA *N HN 1.3551 126.4900 180.0000 115.4200 0.9996 IC -C N CA C 1.3551 126.4900 180.0000 114.4400 1.5390 IC N CA C +N 1.4592 114.4400 180.0000 116.8400 1.3558 IC +N CA *C O 1.3558 116.8400 180.0000 122.5200 1.2297 IC CA C +N +CA 1.5390 116.8400 180.0000 126.7700 1.4613 IC N C *CA CB 1.4592 114.4400 123.2300 111.0900 1.5461 IC N C *CA HA 1.4592 114.4400 -120.4500 106.3900 1.0840 IC CB CG SD CE 1.55 112.10 87.47 119.73 1.81 IC CB CG SD OE 1.55 112.10 -87.06 119.90 1.60 IC CG SD CE HE1 1.81 119.73 -179.99 109.49 1.09 IC CG SD CE HE2 1.81 119.73 -60.00 109.44 1.09 IC CG SD CE HE3 1.81 119.73 59.96 109.45 1.09 IC SD CG CB HB1 1.81 112.10 60.91 109.43 1.09 IC SD CG CB HB2 1.81 112.10 -59.03 109.44 1.09 IC CE SD CG HG1 1.81 119.73 -32.89 108.79 1.09 IC CE SD CG HG2 1.81 119.73 -151.71 109.03 1.09 IC CA CG *CB HB2 0.00 0.00 120.00 0.00 0.00 IC CA CG *CB HB1 0.00 0.00 -120.00 0.00 0.00 IC SD CB *CG HG1 0.00 0.00 120.00 0.00 0.00 IC HG1 CB *CG HG2 0.00 0.00 -120.00 0.00 0.00 IC OE CG *SD CE 0.00 0.00 180.00 0.00 0.00 IC HE3 SD *CE HE2 0.00 0.00 120.00 0.00 0.00 IC HE3 SD *CE HE1 0.00 0.00 -120.00 0.00 0.00 IC C CB *CA N 0.00 0.00 120.00 0.00 0.00 IC C CB *CA HA 0.00 0.00 -120.00 0.00 0.00