! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI GHG -0.00 ! (2s,4s)-2,5-diamino-4-hydroxy-5-oxopentanoic acid 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 OG1 OH1 -0.6600 ATOM HG1 H 0.4300 GROUP ATOM CD CC 0.55 ATOM OE1 O -0.55 GROUP ATOM NE2 NH2 -0.6200 ATOM HE21 H 0.3200 ATOM HE22 H 0.3000 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 NE2 CD BOND CG CD BOND OE1 CD BOND OG1 CG BOND HG CG BOND NE2 HE21 BOND NE2 HE22 BOND OG1 HG1 IMPR N -C CA HN C CA +N O IMPR CD CG OE1 NE2 IMPR NE2 CD HE21 HE22 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 1.47 109.48 -65.03 109.45 1.53 IC N CA CB HB1 1.47 109.48 54.90 109.50 1.09 IC N CA CB HB2 1.47 109.48 174.97 109.52 1.09 IC CA CB CG OG1 1.53 109.45 -65.04 109.42 1.43 IC CA CB CG CD 1.53 109.45 175.05 109.48 1.51 IC CA CB CG HG 1.53 109.45 54.97 109.49 1.09 IC CB CG OG1 HG1 1.53 109.42 -59.98 114.07 0.97 IC CB CG CD OE1 1.53 109.48 114.95 120.02 1.21 IC CB CG CD NE2 1.53 109.48 -65.05 119.96 1.35 IC CG CD NE2 HE21 1.51 119.96 0.07 119.94 0.97 IC CG CD NE2 HE22 1.51 119.96 -179.95 120.00 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 CG CA *CB HB2 0.00 0.00 -120.00 0.00 0.00 IC CD CB *CG OG1 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 NE2 CG *CD OE1 0.00 0.00 180.00 0.00 0.00 IC HE21 CD *NE2 HE22 0.00 0.00 180.00 0.00 0.00