PSF 7 !NTITLE REMARKS original generated structure x-plor psf file REMARKS 2 patches were applied to the molecule. REMARKS topology FF/top_all27_prot_lipid.rtf REMARKS topology FF/top_all27_cmts.rtf REMARKS segment P { first NTER; last CTER; auto angles dihedrals } REMARKS patch NTER P:18 REMARKS patch CTER P:18 40 !NATOM 1 P 18 CMTS C CC 0.340000 12.0110 0 2 P 18 CMTS OT1 OC -0.670000 15.9990 0 3 P 18 CMTS OT2 OC -0.670000 15.9990 0 4 P 18 CMTS N NH3 -0.300000 14.0070 0 5 P 18 CMTS HT1 HC 0.330000 1.0080 0 6 P 18 CMTS HT2 HC 0.330000 1.0080 0 7 P 18 CMTS HT3 HC 0.330000 1.0080 0 8 P 18 CMTS CA CT1 0.210000 12.0110 0 9 P 18 CMTS HA HB 0.100000 1.0080 0 10 P 18 CMTS CB CT2 -0.100000 12.0110 0 11 P 18 CMTS HB1 HA 0.090000 1.0080 0 12 P 18 CMTS HB2 HA 0.090000 1.0080 0 13 P 18 CMTS SG SM -0.080000 32.0600 0 14 P 18 CMTS N1 NN5 0.170000 14.0070 0 15 P 18 CMTS O1 ON -0.310000 15.9994 0 16 P 18 CMTS C2 CT 0.070000 12.0110 0 17 P 18 CMTS C5 CT 0.070000 12.0110 0 18 P 18 CMTS C3 CC 0.000000 12.0110 0 19 P 18 CMTS C4 CE1 -0.090000 12.0110 0 20 P 18 CMTS HC41 HE1 0.090000 1.0080 0 21 P 18 CMTS C6 CT3 -0.270000 12.0110 0 22 P 18 CMTS HC61 HA 0.090000 1.0080 0 23 P 18 CMTS HC62 HA 0.090000 1.0080 0 24 P 18 CMTS HC63 HA 0.090000 1.0080 0 25 P 18 CMTS C7 CT3 -0.270000 12.0110 0 26 P 18 CMTS HC71 HA 0.090000 1.0080 0 27 P 18 CMTS HC72 HA 0.090000 1.0080 0 28 P 18 CMTS HC73 HA 0.090000 1.0080 0 29 P 18 CMTS C8 CT3 -0.270000 12.0110 0 30 P 18 CMTS HC81 HA 0.090000 1.0080 0 31 P 18 CMTS HC82 HA 0.090000 1.0080 0 32 P 18 CMTS HC83 HA 0.090000 1.0080 0 33 P 18 CMTS C9 CT3 -0.270000 12.0110 0 34 P 18 CMTS HC91 HA 0.090000 1.0080 0 35 P 18 CMTS HC92 HA 0.090000 1.0080 0 36 P 18 CMTS HC93 HA 0.090000 1.0080 0 37 P 18 CMTS C10 CT2 -0.100000 12.0110 0 38 P 18 CMTS HC01 HA 0.090000 1.0080 0 39 P 18 CMTS HC02 HA 0.090000 1.0080 0 40 P 18 CMTS S1 SM -0.080000 32.0600 0 40 !NBOND: bonds 1 3 1 2 4 8 5 4 6 4 7 4 8 1 8 9 8 10 10 11 10 12 10 13 13 40 14 15 14 16 14 17 16 18 16 29 16 33 17 21 17 25 18 37 18 19 19 17 19 20 21 22 21 23 21 24 25 26 25 27 25 28 29 30 29 31 29 32 33 34 33 35 33 36 37 40 37 38 37 39 74 !NTHETA: angles 1 8 10 1 8 9 2 1 8 3 1 8 3 1 2 4 8 10 4 8 9 4 8 1 5 4 8 5 4 7 5 4 6 6 4 8 6 4 7 7 4 8 8 10 13 8 10 12 8 10 11 9 8 10 10 13 40 11 10 13 11 10 12 12 10 13 13 40 37 14 17 25 14 17 21 14 17 19 14 16 33 14 16 29 14 16 18 15 14 17 15 14 16 16 33 36 16 33 35 16 33 34 16 29 32 16 29 31 16 29 30 16 18 19 16 18 37 16 14 17 17 25 28 17 25 27 17 25 26 17 21 24 17 21 23 17 21 22 17 19 18 17 19 20 18 37 39 18 37 38 18 37 40 18 16 33 18 16 29 19 17 25 19 17 21 20 19 18 21 17 25 22 21 24 22 21 23 23 21 24 26 25 28 26 25 27 27 25 28 29 16 33 30 29 32 30 29 31 31 29 32 34 33 36 34 33 35 35 33 36 37 18 19 38 37 39 40 37 39 40 37 38 101 !NPHI: dihedrals 1 8 4 5 1 8 4 6 1 8 4 7 1 8 10 11 1 8 10 12 1 8 10 13 2 1 8 4 2 1 8 9 2 1 8 10 3 1 8 4 3 1 8 9 3 1 8 10 4 8 10 11 4 8 10 12 4 8 10 13 5 4 8 9 5 4 8 10 6 4 8 9 6 4 8 10 7 4 8 9 7 4 8 10 8 10 13 40 9 8 10 11 9 8 10 12 9 8 10 13 10 13 40 37 11 10 13 40 12 10 13 40 13 40 37 18 13 40 37 38 13 40 37 39 14 17 19 20 14 17 19 18 14 17 21 22 14 17 21 23 14 17 21 24 14 17 25 26 14 17 25 27 14 17 25 28 14 16 18 37 14 16 18 19 14 16 29 30 14 16 29 31 14 16 29 32 14 16 33 34 14 16 33 35 14 16 33 36 15 14 16 18 15 14 16 29 15 14 16 33 15 14 17 19 15 14 17 21 15 14 17 25 16 18 37 40 16 18 37 38 16 18 37 39 16 18 19 17 16 18 19 20 16 14 17 19 16 14 17 21 16 14 17 25 17 19 18 37 17 14 16 18 17 14 16 29 17 14 16 33 18 19 17 21 18 19 17 25 18 16 29 30 18 16 29 31 18 16 29 32 18 16 33 34 18 16 33 35 18 16 33 36 19 18 16 29 19 18 16 33 19 18 37 40 19 18 37 38 19 18 37 39 19 17 21 22 19 17 21 23 19 17 21 24 19 17 25 26 19 17 25 27 19 17 25 28 20 19 17 21 20 19 17 25 20 19 18 37 21 17 25 26 21 17 25 27 21 17 25 28 22 21 17 25 23 21 17 25 24 21 17 25 29 16 18 37 29 16 33 34 29 16 33 35 29 16 33 36 30 29 16 33 31 29 16 33 32 29 16 33 33 16 18 37 3 !NIMPHI: impropers 1 8 3 2 8 4 1 10 15 16 17 14 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 !NGRP 0 0 0