! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI DONL 0.00 ! 5-oxo-l-norleucine 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 HB1 HA 0.0900 ATOM HB2 HA 0.0900 GROUP ATOM CG CT2 -0.1200 ATOM HG1 HA 0.0900 ATOM HG2 HA 0.0900 ATOM CD CC 0.45 ATOM OD O -0.5700 ATOM CE CT3 -0.2100 ATOM HE1 HA 0.0900 ATOM HE2 HA 0.0900 ATOM HE3 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 CB BOND HB1 CB BOND HB2 CB BOND CG CD BOND CE CD BOND OD CD BOND HE1 CE BOND HE2 CE BOND HE3 CE BOND HG1 CG BOND HG2 CG IMPR N -C CA HN C CA +N O IMPR CD CG CE OD 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 -123.23 111.0900 1.5461 IC N C *CA HA 1.4592 114.4400 120.45 106.3900 1.0840 IC N CA CB CG 1.47 109.42 -65.01 109.50 1.53 IC N CA CB HB1 1.47 109.42 55.07 109.44 1.09 IC N CA CB HB2 1.47 109.42 175.00 109.43 1.09 IC CA CB CG CD 1.53 109.50 179.98 109.46 1.51 IC CA CB CG HG1 1.53 109.50 -60.03 109.53 1.09 IC CA CB CG HG2 1.53 109.50 60.04 109.42 1.09 IC CB CG CD OD 1.53 109.46 0.05 120.00 1.21 IC CB CG CD CE 1.53 109.46 -179.99 119.99 1.51 IC CG CD CE HE1 1.51 119.99 90.08 109.41 1.09 IC CG CD CE HE2 1.51 119.99 -149.97 109.43 1.09 IC CG CD CE HE3 1.51 119.99 -30.00 109.50 1.09 IC CB N *CA C 0.00 0.00 -120 0.00 0.00 IC CG CA *CB HB1 0.00 0.00 120.00 0.00 0.00 IC CG CA *CB HB2 0.00 0.00 -120.00 0.00 0.00 IC CD CB *CG HG1 0.00 0.00 120.00 0.00 0.00 IC CD CB *CG HG2 0.00 0.00 -120.00 0.00 0.00 IC OD CG *CD CE 0.00 0.00 180.00 0.00 0.00 IC HE1 CD *CE HE2 0.00 0.00 120.00 0.00 0.00 IC HE1 CD *CE HE3 0.00 0.00 -120.00 0.00 0.00