! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI HLEU 0.00 ! Homoleucine 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 -0.1800 ATOM HG1 HA 0.0900 ATOM HG2 HA 0.0900 GROUP ATOM CD CT1 -0.0900 ATOM HD HA 0.0900 GROUP ATOM CE1 CT3 -0.2700 ATOM HE11 HA 0.0900 ATOM HE12 HA 0.0900 ATOM HE13 HA 0.0900 GROUP ATOM CE2 CT3 -0.2700 ATOM HE21 HA 0.0900 ATOM HE22 HA 0.0900 ATOM HE23 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 CE1 CD BOND CE2 CD BOND HD CD BOND HG1 CG BOND HG2 CG BOND HE11 CE1 BOND HE12 CE1 BOND HE13 CE1 BOND HE21 CE2 BOND HE22 CE2 BOND HE23 CE2 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 CG 1.46 110.86 171.34 116.65 1.54 IC N CA CB HB1 1.46 110.86 48.99 109.64 1.11 IC N CA CB HB2 1.46 110.86 -63.79 109.32 1.11 IC CA CB CG CD 1.56 116.65 -179.38 109.52 1.54 IC CA CB CG HG1 1.56 116.65 60.54 109.53 1.09 IC CA CB CG HG2 1.56 116.65 -59.42 109.46 1.09 IC CB CG CD CE1 1.54 109.52 88.80 109.48 1.54 IC CB CG CD CE2 1.54 109.52 -151.13 109.52 1.54 IC CB CG CD HD 1.54 109.52 -31.11 109.43 1.09 IC CG CD CE1 HE11 1.54 109.48 -43.89 109.55 1.09 IC CG CD CE1 HE12 1.54 109.48 -163.98 109.53 1.09 IC CG CD CE1 HE13 1.54 109.48 76.13 109.45 1.09 IC CG CD CE2 HE21 1.54 109.52 33.47 109.51 1.09 IC CG CD CE2 HE22 1.54 109.52 -86.70 109.52 1.09 IC CG CD CE2 HE23 1.54 109.52 153.36 109.40 1.09 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 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 CE1 CG *CD CE2 0.00 0.00 120.00 0.00 0.00 IC CE1 CG *CD HD 0.00 0.00 -120.00 0.00 0.00 IC HE21 CD *CE2 HE22 0.00 0.00 120.00 0.00 0.00 IC HE21 CD *CE2 HE23 0.00 0.00 -120.00 0.00 0.00 IC HE11 CD *CE1 HE12 0.00 0.00 120.00 0.00 0.00 IC HE11 CD *CE1 HE13 0.00 0.00 -120.00 0.00 0.00