! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI ARO 1.00 ! c-gamma-hydroxy arginine 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 CT1 0.1400 ATOM HG HA 0.0900 ATOM OH OH1 -0.6600 ATOM HH H 0.4300 GROUP ATOM CD CT2 0.20 ATOM HD1 HA 0.0900 ATOM HD2 HA 0.0900 ATOM NE NC2 -0.70 ATOM HE HC 0.4400 ATOM CZ C 0.64 ATOM NH1 NC2 -0.80 ATOM HH11 HC 0.4600 ATOM HH12 HC 0.4600 ATOM NH2 NC2 -0.80 ATOM HH21 HC 0.4600 ATOM HH22 HC 0.4600 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 CB HB1 BOND CD HD1 BOND NH1 HH11 BOND CB HB2 BOND CG CB BOND OH HH BOND NH1 HH12 BOND CZ NH1 BOND CD HD2 BOND CG CD BOND NE CD BOND OH CG BOND HG CG BOND NE CZ BOND NH2 CZ BOND HE NE BOND NH2 HH21 BOND HH22 NH2 IMPR N -C CA HN C CA +N O IMPR CZ NH1 NH2 NE 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 N CA CB CG 1.47 109.50 -66.23 109.48 1.53 IC N CA CB HB1 1.47 109.50 53.70 109.45 1.09 IC N CA CB HB2 1.47 109.50 173.73 109.53 1.09 IC CA CB CG OH 1.53 109.48 66.46 109.54 1.43 IC CA CB CG CD 1.53 109.48 -173.50 109.50 1.53 IC CA CB CG HG 1.53 109.48 -53.52 109.42 1.09 IC CB CG OH HH 1.53 109.54 59.97 106.79 0.97 IC CB CG CD NE 1.53 109.50 179.94 109.50 1.47 IC CB CG CD HD1 1.53 109.50 -60.02 109.53 1.09 IC CB CG CD HD2 1.53 109.50 59.98 109.54 1.09 IC CG CD NE CZ 1.53 109.50 179.99 120.05 1.38 IC CG CD NE HE 1.53 109.50 -0.04 120.00 0.97 IC CD NE CZ NH1 1.47 120.05 0.01 119.93 1.34 IC CD NE CZ NH2 1.47 120.05 -179.95 120.04 1.34 IC NE CZ NH1 HH11 1.38 119.93 0.02 120.01 0.97 IC NE CZ NH1 HH12 1.38 119.93 -179.96 119.99 0.97 IC NE CZ NH2 HH21 1.38 120.04 -179.98 119.96 0.97 IC NE CZ NH2 HH22 1.38 120.04 -0.11 120.03 0.97 IC CB N *CA C 0.00 0.00 120.00 0.00 0.00 IC CG CA *CB HB1 0.00 0.00 120.00 0.00 0.00 IC HB1 CA *CB HB2 0.00 0.00 -120.00 0.00 0.00 IC CD CB *CG OH 0.00 0.00 120.00 0.00 0.00 IC CD CB *CG HG 0.00 0.00 -120.00 0.00 0.00 IC NE CG *CD HD1 0.00 0.00 120.00 0.00 0.00 IC HD1 CG *CD HD2 0.00 0.00 -120.00 0.00 0.00 IC CZ CD *NE HE 0.00 0.00 180.00 0.00 0.00 IC NH1 NE *CZ NH2 0.00 0.00 180.00 0.00 0.00 IC HH11 CZ *NH1 HH12 0.00 0.00 180.00 0.00 0.00 IC HH21 CZ *NH2 HH22 0.00 0.00 180.00 0.00 0.00