! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI DLMQ -0.00 ! 3-methyl-l-glutamine 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 CG2 CT3 -0.2700 ATOM HG23 HA 0.0900 ATOM HG21 HA 0.0900 ATOM HG22 HA 0.0900 GROUP ATOM CG1 CT2 -0.1800 ATOM HG11 HA 0.0900 ATOM HG12 HA 0.0900 GROUP ATOM CD CC 0.55 ATOM OE1 O -0.55 GROUP ATOM NE2 NH2 -0.62 ATOM HE21 H 0.32 ATOM HE22 H 0.30 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 CG2 CB BOND CG1 CB BOND HB CB BOND HG23 CG2 BOND HG21 CG2 BOND HG22 CG2 BOND CG1 CD BOND OE1 CD BOND NE2 CD BOND HG11 CG1 BOND HG12 CG1 BOND NE2 HE21 BOND NE2 HE22 IMPR N -C CA HN C CA +N O IMPR CD NE2 CG1 OE1 IMPR CD CG1 NE2 OE1 IMPR NE2 CD HE21 HE22 IMPR NE2 CD HE22 HE21 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 CG2 1.47 109.50 -179.98 109.54 1.53 IC N CA CB CG1 1.47 109.50 -60.00 109.40 1.53 IC N CA CB HB 1.47 109.50 59.93 109.48 1.09 IC CA CB CG2 HG21 1.53 109.54 59.91 109.46 1.09 IC CA CB CG2 HG22 1.53 109.54 179.97 109.48 1.09 IC CA CB CG2 HG23 1.53 109.54 -59.98 109.44 1.09 IC CA CB CG1 CD 1.53 109.40 175.02 109.45 1.51 IC CA CB CG1 HG11 1.53 109.40 -65.10 109.48 1.09 IC CA CB CG1 HG12 1.53 109.40 55.04 109.54 1.09 IC CB CG1 CD OE1 1.53 109.45 -0.04 119.96 1.21 IC CB CG1 CD NE2 1.53 109.45 180.00 119.99 1.35 IC CG1 CD NE2 HE21 1.51 119.99 -0.07 120.05 0.97 IC CG1 CD NE2 HE22 1.51 119.99 -179.94 119.97 0.97 IC CB N *CA C 0.00 0.00 -120 0.00 0.00 IC CG1 CA *CB CG2 0.00 0.00 120.00 0.00 0.00 IC CG2 CA *CB HB 0.00 0.00 -120.00 0.00 0.00 IC CD CB *CG1 HG11 0.00 0.00 120.00 0.00 0.00 IC CD CB *CG1 HG12 0.00 0.00 -120.00 0.00 0.00 IC NE2 CG1 *CD OE1 0.00 0.00 180.00 0.00 0.00 IC HG23 CB *CG2 HG21 0.00 0.00 120.00 0.00 0.00 IC HG23 CB *CG2 HG22 0.00 0.00 -120.00 0.00 0.00 IC HE21 CD *NE2 HE22 0.00 0.00 180.00 0.00 0.00