! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI DNTLH 0.00 ! 3-(9-anthryl)-alanine 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 CA 0.0000 GROUP ATOM CD1 CA 0.0000 GROUP ATOM CD2 CA 0.0000 GROUP ATOM CE1 CA 0.0000 GROUP ATOM CF1 CA -0.1150 ATOM HF1 HP 0.1150 GROUP ATOM CE2 CA 0.0000 GROUP ATOM CH1 CA -0.1150 ATOM HH1 HP 0.1150 GROUP ATOM CF2 CA -0.1150 ATOM HF2 HP 0.1150 GROUP ATOM CZ CA -0.1150 ATOM HZ HP 0.1150 GROUP ATOM CJ1 CA -0.1150 ATOM HJ1 HP 0.1150 GROUP ATOM CH2 CA -0.1150 ATOM HH2 HP 0.1150 GROUP ATOM CM1 CA -0.1150 ATOM HM1 HP 0.1150 GROUP ATOM CJ2 CA -0.1150 ATOM HJ2 HP 0.1150 GROUP ATOM CM2 CA -0.1150 ATOM HM2 HP 0.1150 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 CE1 CD1 BOND CF1 CD1 BOND CG CD1 BOND CE2 CD2 BOND CG CD2 BOND CH1 CD2 BOND CF2 CE1 BOND CZ CE1 BOND CH2 CE2 BOND CZ CE2 BOND CJ1 CF1 BOND CJ2 CF2 BOND CM1 CH1 BOND CM2 CH2 BOND CJ2 CJ1 BOND CM2 CM1 BOND CF1 HF1 BOND CJ1 HJ1 BOND CJ2 HJ2 BOND CF2 HF2 BOND CZ HZ BOND CH1 HH1 BOND CH2 HH2 BOND CM2 HM2 BOND CM1 HM1 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 -123.23 111.0900 1.5461 IC N C *CA HA 1.4592 114.4400 120.45 106.3900 1.0840 IC CD1 CF1 CJ1 CJ2 1.42 121.90 -1.02 120.07 1.40 IC CD1 CF1 CJ1 HJ1 1.42 121.90 178.96 119.95 1.08 IC CD1 CE1 CF2 HF2 1.43 120.94 -178.68 119.75 1.08 IC CD1 CE1 CZ CE2 1.43 120.12 -1.24 121.03 1.41 IC CD1 CE1 CZ HZ 1.43 120.12 178.79 119.48 1.08 IC CD1 CG CD2 CH1 1.44 119.40 172.47 123.75 1.42 IC CD1 CG CB HB1 1.44 118.91 45.55 107.37 1.10 IC CD1 CG CB HB2 1.44 118.91 157.39 109.30 1.11 IC CF1 CD1 CE1 CF2 1.42 116.79 -3.14 120.94 1.41 IC CF1 CD1 CE1 CZ 1.42 116.79 176.70 120.12 1.40 IC CF1 CD1 CG CD2 1.42 123.75 -172.48 119.40 1.43 IC CF1 CJ1 CJ2 HJ2 1.41 120.07 179.04 120.16 1.08 IC CJ1 CF1 CD1 CE1 1.41 121.90 3.02 116.79 1.43 IC CJ1 CF1 CD1 CG 1.41 121.90 -177.26 123.75 1.44 IC CJ2 CJ1 CF1 HF1 1.40 120.07 178.96 119.04 1.08 IC CE1 CZ CE2 CH2 1.40 121.03 -178.56 118.97 1.41 IC CZ CE2 CH2 CM2 1.41 118.97 178.48 120.57 1.40 IC CZ CE2 CH2 HH2 1.41 118.97 -1.52 119.70 1.08 IC CE2 CD2 CH1 CM1 1.43 116.73 -2.97 121.90 1.41 IC CE2 CD2 CH1 HH1 1.43 116.73 177.04 119.04 1.08 IC CE2 CH2 CM2 HM2 1.41 120.57 179.23 120.18 1.08 IC CD2 CH1 CM1 HM1 1.42 121.90 -178.96 119.95 1.08 IC CE1 CG *CD1 CF1 0.00 0.00 180.00 0.00 0.00 IC CJ1 CD1 *CF1 HF1 0.00 0.00 180.00 0.00 0.00 IC CJ2 CF1 *CJ1 HJ1 0.00 0.00 180.00 0.00 0.00 IC CZ CD1 *CE1 CF2 0.00 0.00 180.00 0.00 0.00 IC CE2 CE1 *CZ HZ 0.00 0.00 180.00 0.00 0.00 IC CH2 CZ *CE2 CD2 0.00 0.00 180.00 0.00 0.00 IC CG CE2 *CD2 CH1 0.00 0.00 180.00 0.00 0.00 IC CM2 CE2 *CH2 HH2 0.00 0.00 180.00 0.00 0.00 IC CM1 CD2 *CH1 HH1 0.00 0.00 180.00 0.00 0.00 IC CD2 CD1 *CG CB 0.00 0.00 180.00 0.00 0.00 IC CA CG *CB HB1 0.00 0.00 120.00 0.00 0.00 IC CA CG *CB HB2 0.00 0.00 -120.00 0.00 0.00 IC CF2 CJ1 *CJ2 HJ2 0.00 0.00 180.00 0.00 0.00 IC CJ2 CE1 *CF2 HF2 0.00 0.00 180.00 0.00 0.00 IC CM1 CH2 *CM2 HM2 0.00 0.00 180.00 0.00 0.00 IC CM2 CH1 *CM1 HM1 0.00 0.00 180.00 0.00 0.00