! When using this topology, make sure you've included the required parameters ! (see http://swisssidechain.ch/MD/charmm.html) RESI TEZA 0.00 ! 3-(2-Tetrazolyl)-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 0.0800 ATOM HB1 HA 0.0900 ATOM HB2 HA 0.0900 ATOM NG NY 0.58 ATOM ND1 N5A -0.42 ATOM ND2 N5A -0.71 ATOM NE1 N5B -0.22 ATOM CE2 C5B 0.36 ATOM HE2 HP 0.15 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 NG CB BOND NG ND1 BOND NG ND2 BOND CE2 ND2 BOND NE1 CE2 BOND ND1 NE1 BOND CB HB1 BOND CB HB2 BOND CE2 HE2 IMPR N -C CA HN C CA +N O IMPR NG CB ND1 ND2 IMPR CE2 ND2 NE1 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 123.2300 111.0900 1.5461 IC N C *CA HA 1.4592 114.4400 -120.4500 106.3900 1.0840 IC NG ND2 CE2 NE1 1.29 105.16 -0.09 108.90 1.34 IC NG ND2 CE2 HE2 1.29 105.16 179.99 125.51 1.08 IC NG ND1 NE1 CE2 1.30 108.98 -0.27 106.27 1.34 IC ND2 NG CB HB1 1.29 124.64 -149.17 109.06 1.09 IC ND2 NG CB HB2 1.29 124.64 -29.82 109.26 1.09 IC ND2 CE2 NE1 ND1 1.34 108.90 0.22 106.27 1.29 IC ND1 CB *NG ND2 0.00 0.00 180.00 0.00 0.00 IC NE1 ND2 *CE2 HE2 0.00 0.00 180.00 0.00 0.00 IC CA NG *CB HB1 0.00 0.00 120.00 0.00 0.00 IC CA NG *CB HB2 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 C CB *CA HA 0.00 0.00 -120.00 0.00 0.00