! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI HL2 0.00 ! (2s,3r)-2-amino-3-hydroxy-4-methylpentanoic acid GROUP ATOM N NH1 -0.4700 ATOM HN H 0.3100 ATOM CA CT1 0.0700 ATOM HA HB 0.0900 GROUP ATOM CB CT1 0.1400 ATOM HB HA 0.0900 ATOM OH OH1 -0.6600 ATOM HH H 0.4300 GROUP ATOM CG CT1 -0.0900 ATOM HG HA 0.0900 GROUP ATOM CD1 CT3 -0.2700 ATOM HD11 HA 0.0900 ATOM HD12 HA 0.0900 ATOM HD13 HA 0.0900 GROUP ATOM CD2 CT3 -0.2700 ATOM HD21 HA 0.0900 ATOM HD22 HA 0.0900 ATOM HD23 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 OH CB BOND CD1 CG BOND CD2 CG BOND CB HB BOND CG HG BOND CD2 HD21 BOND CD2 HD22 BOND CD2 HD23 BOND CD1 HD11 BOND CD1 HD12 BOND CD1 HD13 BOND OH HH IMPR N -C CA HN C CA +N O 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 C CA CB CG 1.51 109.45 -178.46 109.42 1.53 IC C CA CB OH 1.51 109.45 -58.50 109.49 1.43 IC C CA CB HB 1.51 109.45 61.56 109.48 1.09 IC CA CB CG CD1 1.53 109.42 174.49 109.48 1.53 IC CA CB CG CD2 1.53 109.42 -65.50 109.51 1.53 IC CA CB CG HG 1.53 109.42 54.49 109.47 1.09 IC CA CB OH HH 1.53 109.49 152.03 109.45 0.96 IC CB CG CD1 HD11 1.53 109.48 -59.98 109.53 1.09 IC CB CG CD1 HD12 1.53 109.48 60.05 109.47 1.09 IC CB CG CD1 HD13 1.53 109.48 179.98 109.48 1.09 IC CB CG CD2 HD21 1.53 109.51 59.95 109.49 1.09 IC CB CG CD2 HD22 1.53 109.51 179.96 109.47 1.09 IC CB CG CD2 HD23 1.53 109.51 -60.04 109.45 1.09 IC CB C *CA N 0.00 0.00 120.00 0.00 0.00 IC CG CA *CB OH 0.00 0.00 120.00 0.00 0.00 IC CG CA *CB HB 0.00 0.00 -120.00 0.00 0.00 IC CD1 CB *CG CD2 0.00 0.00 120.00 0.00 0.00 IC CD1 CB *CG HG 0.00 0.00 -120.00 0.00 0.00 IC HD21 CG *CD2 HD22 0.00 0.00 120.00 0.00 0.00 IC HD21 CG *CD2 HD23 0.00 0.00 -120.00 0.00 0.00 IC HD11 CG *CD1 HD12 0.00 0.00 120.00 0.00 0.00 IC HD11 CG *CD1 HD13 0.00 0.00 -120.00 0.00 0.00