! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI BB8 -0.00 ! Phenylserine 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 0.1400 ATOM HB HA 0.0900 ATOM OG2 OH1 -0.6600 ATOM HG2 H 0.4300 GROUP ATOM CG1 CA 0.0000 GROUP ATOM CD2 CA -0.1150 ATOM HD2 HP 0.1150 GROUP ATOM CD1 CA -0.1150 ATOM HD1 HP 0.1150 GROUP ATOM CE2 CA -0.1150 ATOM HE2 HP 0.1150 GROUP ATOM CE1 CA -0.1150 ATOM HE1 HP 0.1150 GROUP ATOM CZ CA -0.1150 ATOM HZ 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 CE2 HE2 BOND CD2 HD2 BOND CD2 CE2 BOND CZ CE2 BOND CG1 CD2 BOND CB HB BOND CZ HZ BOND CE1 CZ BOND CB CG1 BOND CD1 CG1 BOND OG2 CB BOND CD1 CE1 BOND HE1 CE1 BOND HD1 CD1 BOND HG2 OG2 IMPR N -C CA HN C CA +N O 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 CG1 CD1 CE1 CZ 1.40 120.06 0.13 120.04 1.39 IC CG1 CD1 CE1 HE1 1.40 120.06 -179.85 119.97 1.08 IC CG1 CD2 CE2 HE2 1.40 120.22 179.82 120.04 1.08 IC CG1 CB OG2 HG2 1.53 109.35 1.67 109.47 0.96 IC CD1 CG1 CD2 CE2 1.40 119.63 0.27 120.22 1.39 IC CD1 CG1 CD2 HD2 1.40 119.63 -179.75 119.87 1.08 IC CD1 CG1 CB OG2 1.40 120.60 41.60 109.35 1.43 IC CD1 CG1 CB HB 1.40 120.60 157.08 107.01 1.09 IC CD1 CE1 CZ HZ 1.39 120.04 -179.96 119.97 1.09 IC CD2 CG1 CD1 CE1 1.40 119.63 -0.25 120.06 1.39 IC CD2 CG1 CD1 HD1 1.40 119.63 -179.74 120.44 1.08 IC CD1 CB *CG1 CD2 0.00 0.00 180.00 0.00 0.00 IC CE1 CG1 *CD1 HD1 0.00 0.00 180.00 0.00 0.00 IC CE2 CG1 *CD2 HD2 0.00 0.00 180.00 0.00 0.00 IC CZ CD2 *CE2 HE2 0.00 0.00 180.00 0.00 0.00 IC CA CG1 *CB OG2 0.00 0.00 120.00 0.00 0.00 IC CA CG1 *CB HB 0.00 0.00 -120.00 0.00 0.00 IC C CB *CA N 0.00 0.00 120.00 0.00 0.00 IC N CB *CA HA 0.00 0.00 -120.00 0.00 0.00 IC CZ CD1 *CE1 HE1 0.00 0.00 180.00 0.00 0.00 IC CE1 CE2 *CZ HZ 0.00 0.00 180.00 0.00 0.00