! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI ILX 0.00 ! 4,5-dihydroxyisoleucine 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 -0.0900 ATOM HB HA 0.0900 GROUP ATOM CG1 CT1 0.1400 ATOM HG1 HA 0.0900 ATOM OG1 OH1 -0.6600 ATOM HOG1 H 0.4300 GROUP ATOM CG2 CT3 -0.2700 ATOM HG21 HA 0.0900 ATOM HG22 HA 0.0900 ATOM HG23 HA 0.0900 GROUP ATOM CD1 CT2 0.0500 ATOM HD11 HA 0.0900 ATOM HD12 HA 0.0900 ATOM OD1 OH1 -0.6600 ATOM HOD1 H 0.4300 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 CG1 CB BOND CG2 CB BOND OG1 CG1 BOND CD1 CG1 BOND OD1 CD1 BOND CB HB BOND CG1 HG1 BOND CD1 HD11 BOND CD1 HD12 BOND OG1 HOG1 BOND OD1 HOD1 BOND CG2 HG21 BOND CG2 HG22 BOND CG2 HG23 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 N CA CB CG1 1.46 113.98 -175.42 113.78 1.55 IC N CA CB CG2 1.46 113.98 57.57 110.22 1.54 IC N CA CB HB 1.46 113.98 -57.98 106.74 1.09 IC CA CB CG1 OG1 1.56 113.78 51.58 110.27 1.43 IC CA CB CG1 CD1 1.56 113.78 172.58 112.65 1.53 IC CA CB CG1 HG1 1.56 113.78 -67.21 108.52 1.09 IC CA CB CG2 HG21 1.56 110.22 179.95 109.53 1.09 IC CA CB CG2 HG22 1.56 110.22 -59.97 109.49 1.09 IC CA CB CG2 HG23 1.56 110.22 59.96 109.46 1.09 IC CB CG1 OG1 HOG1 1.55 110.27 -74.13 109.47 0.96 IC CB CG1 CD1 OD1 1.55 112.65 178.28 108.74 1.43 IC CB CG1 CD1 HD11 1.55 112.65 58.37 109.66 1.09 IC CB CG1 CD1 HD12 1.55 112.65 -61.96 109.55 1.09 IC CG1 CD1 OD1 HOD1 1.53 108.74 179.97 109.46 0.96 IC CB N *CA C 0.00 0.00 120.00 0.00 0.00 IC CG1 CA *CB CG2 0.00 0.00 120.00 0.00 0.00 IC CG1 CA *CB HB 0.00 0.00 -120.00 0.00 0.00 IC CD1 CB *CG1 OG1 0.00 0.00 120.00 0.00 0.00 IC OG1 CB *CG1 HG1 0.00 0.00 -120.00 0.00 0.00 IC OD1 CG1 *CD1 HD11 0.00 0.00 120.00 0.00 0.00 IC OD1 CG1 *CD1 HD12 0.00 0.00 -120.00 0.00 0.00 IC HG21 CB *CG2 HG22 0.00 0.00 120.00 0.00 0.00 IC HG21 CB *CG2 HG23 0.00 0.00 -120.00 0.00 0.00