! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI DMEQ -0.00 ! n5-methylglutamine 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 HB2 HA 0.0900 ATOM HB1 HA 0.0900 GROUP ATOM CG CT2 -0.1200 ATOM HG1 HA 0.0900 ATOM HG2 HA 0.0900 GROUP ATOM CD CC 0.57 ATOM OE1 O -0.57 ATOM NE2 NH1 -0.73 ATOM HE2 H 0.37 ATOM CZ CT3 0.0300 ATOM HZ1 HA 0.0900 ATOM HZ2 HA 0.0900 ATOM HZ3 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 HB2 CB BOND HB1 CB BOND CG CB BOND CG CD BOND OE1 CD BOND NE2 CD BOND NE2 CZ BOND HZ1 CZ BOND HZ2 CZ BOND HZ3 CZ BOND HG1 CG BOND HG2 CG BOND NE2 HE2 IMPR N -C CA HN C CA +N O IMPR CD CG NE2 OE1 IMPR NE2 CD CZ HE2 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 CG 1.44 112.53 -62.30 113.37 1.53 IC N CA CB HB1 1.44 112.53 177.09 108.46 1.09 IC N CA CB HB2 1.44 112.53 58.91 108.83 1.09 IC CA CB CG CD 1.53 113.37 -178.48 113.59 1.52 IC CA CB CG HG1 1.53 113.37 -57.88 108.43 1.09 IC CA CB CG HG2 1.53 113.37 60.19 108.80 1.09 IC CB CG CD OE1 1.53 113.59 -1.24 123.35 1.23 IC CB CG CD NE2 1.53 113.59 179.96 111.60 1.39 IC CG CD NE2 CZ 1.52 111.60 178.77 122.60 1.45 IC CG CD NE2 HE2 1.52 111.60 -1.23 118.68 1.01 IC CD NE2 CZ HZ1 1.39 122.60 -179.94 109.45 1.09 IC CD NE2 CZ HZ2 1.39 122.60 60.08 109.48 1.09 IC CD NE2 CZ HZ3 1.39 122.60 -60.06 109.50 1.09 IC CB N *CA C 0.00 0.00 -120 0.00 0.00 IC CG CA *CB HB2 0.00 0.00 120.00 0.00 0.00 IC HB2 CA *CB HB1 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 NE2 CG *CD OE1 0.00 0.00 180.00 0.00 0.00 IC CZ CD *NE2 HE2 0.00 0.00 180.00 0.00 0.00 IC HZ1 NE2 *CZ HZ2 0.00 0.00 120.00 0.00 0.00 IC HZ1 NE2 *CZ HZ3 0.00 0.00 -120.00 0.00 0.00