! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI SLZ 1.00 ! thialysine 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 -0.1400 ATOM HB1 HA 0.0900 ATOM HB2 HA 0.0900 ATOM SG S -0.0900 ATOM CD CT2 -0.13 ATOM HD1 HA 0.09 ATOM HD2 HA 0.09 GROUP ATOM CE CT2 0.2100 ATOM HE1 HA 0.0500 ATOM HE2 HA 0.0500 ATOM NZ NH3 -0.30 ATOM HZ1 HC 0.3300 ATOM HZ2 HC 0.3300 ATOM HZ3 HC 0.3300 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 SG CB BOND HB1 CB BOND HB2 CB BOND SG CD BOND CE CD BOND HD1 CD BOND HD2 CD BOND NZ CE BOND HE1 CE BOND HE2 CE BOND NZ HZ1 BOND NZ HZ2 BOND NZ HZ3 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 SG 1.47 109.50 -59.95 109.51 1.81 IC N CA CB HB1 1.47 109.50 -179.93 109.52 1.09 IC N CA CB HB2 1.47 109.50 60.05 109.43 1.09 IC CA CB SG CD 1.53 109.51 -179.99 100.08 1.81 IC CB SG CD CE 1.81 100.08 -179.96 109.60 1.53 IC CB SG CD HD1 1.81 100.08 60.01 109.48 1.09 IC CB SG CD HD2 1.81 100.08 -60.00 109.46 1.09 IC SG CD CE NZ 1.81 109.60 -179.98 109.63 1.47 IC SG CD CE HE1 1.81 109.60 59.89 109.47 1.09 IC SG CD CE HE2 1.81 109.60 -59.96 109.41 1.09 IC CD CE NZ HZ1 1.53 109.63 -179.96 106.75 1.01 IC CD CE NZ HZ2 1.53 109.63 -66.21 106.60 1.01 IC CD CE NZ HZ3 1.53 109.63 56.86 112.06 1.01 IC CB N *CA C 0.00 0.00 120.00 0.00 0.00 IC SG CA *CB HB1 0.00 0.00 120.00 0.00 0.00 IC SG CA *CB HB2 0.00 0.00 -120.00 0.00 0.00 IC CE SG *CD HD1 0.00 0.00 120.00 0.00 0.00 IC CE SG *CD HD2 0.00 0.00 -120.00 0.00 0.00 IC NZ CD *CE HE1 0.00 0.00 120.00 0.00 0.00 IC NZ CD *CE HE2 0.00 0.00 -120.00 0.00 0.00 IC HZ1 CE *NZ HZ2 0.00 0.00 120.00 0.00 0.00 IC HZ1 CE *NZ HZ3 0.00 0.00 -120.00 0.00 0.00