PSF 2 !NTITLE * MAKE SURE CAN READ NEW POPC STRUCTURE * DATE: 3/ 1/ 6 15:51:15 CREATED BY USER: jsachs 38 !NATOM 1 AHA 1 ALA N NH3 -0.300000 14.0070 0 0.00000 -0.301140E-02 2 AHA 1 ALA HT1 HC 0.330000 1.00800 0 0.00000 -0.301140E-02 3 AHA 1 ALA HT2 HC 0.330000 1.00800 0 0.00000 -0.301140E-02 4 AHA 1 ALA HT3 HC 0.330000 1.00800 0 0.00000 -0.301140E-02 5 AHA 1 ALA CA CT1 0.210000 12.0110 0 0.00000 -0.301140E-02 6 AHA 1 ALA HA HB 0.100000 1.00800 0 0.00000 -0.301140E-02 7 AHA 1 ALA CB CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02 8 AHA 1 ALA HB1 HA 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 9 AHA 1 ALA HB2 HA 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 10 AHA 1 ALA HB3 HA 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 11 AHA 1 ALA C C 0.510000 12.0110 0 0.00000 -0.301140E-02 12 AHA 1 ALA O O -0.510000 15.9990 0 0.00000 -0.301140E-02 13 AHA 2 STA N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02 14 AHA 2 STA HN H 0.310000 1.00800 0 0.00000 -0.301140E-02 15 AHA 2 STA CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02 16 AHA 2 STA HA HB 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 17 AHA 2 STA CBA CT2 0.500000E-01 12.0110 0 0.00000 -0.301140E-02 18 AHA 2 STA HB1A HA 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 19 AHA 2 STA HB2A HA 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 20 AHA 2 STA OGA OH1 -0.660000 15.9990 0 0.00000 -0.301140E-02 21 AHA 2 STA HG1A H 0.430000 1.00800 0 0.00000 -0.301140E-02 22 AHA 2 STA CBB CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02 23 AHA 2 STA HB1B HA 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 24 AHA 2 STA HB2B HA 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 25 AHA 2 STA HB3B HA 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 26 AHA 2 STA C C 0.510000 12.0110 0 0.00000 -0.301140E-02 27 AHA 2 STA O O -0.510000 15.9990 0 0.00000 -0.301140E-02 28 AHA 3 ALA N NH1 -0.470000 14.0070 0 0.00000 -0.301140E-02 29 AHA 3 ALA HN H 0.310000 1.00800 0 0.00000 -0.301140E-02 30 AHA 3 ALA CA CT1 0.700000E-01 12.0110 0 0.00000 -0.301140E-02 31 AHA 3 ALA HA HB 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 32 AHA 3 ALA CB CT3 -0.270000 12.0110 0 0.00000 -0.301140E-02 33 AHA 3 ALA HB1 HA 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 34 AHA 3 ALA HB2 HA 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 35 AHA 3 ALA HB3 HA 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 36 AHA 3 ALA C CC 0.340000 12.0110 0 0.00000 -0.301140E-02 37 AHA 3 ALA OT1 OC -0.670000 15.9990 0 0.00000 -0.301140E-02 38 AHA 3 ALA OT2 OC -0.670000 15.9990 0 0.00000 -0.301140E-02 37 !NBOND: bonds 2 1 3 1 4 1 7 5 1 5 11 5 11 13 5 6 7 8 7 9 7 10 12 11 13 14 13 15 26 15 26 28 15 16 17 15 20 17 20 21 18 17 19 17 22 15 23 22 24 22 25 22 27 26 32 30 28 29 28 30 36 30 30 31 32 33 32 34 32 35 36 38 36 37 66 !NTHETA: angles 2 1 3 2 1 4 2 1 5 3 1 4 3 1 5 4 1 5 1 5 6 1 5 7 1 5 11 6 5 7 6 5 11 7 5 11 5 7 8 5 7 9 5 7 10 8 7 9 8 7 10 9 7 10 5 11 12 5 11 13 12 11 13 11 13 14 11 13 15 14 13 15 13 15 16 13 15 17 13 15 22 13 15 26 16 15 17 16 15 22 16 15 26 22 15 26 15 17 18 15 17 19 15 17 20 18 17 19 18 17 20 19 17 20 17 20 21 15 22 23 15 22 24 15 22 25 23 22 24 23 22 25 24 22 25 15 26 27 15 26 28 27 26 28 26 28 29 26 28 30 29 28 30 28 30 31 28 30 32 28 30 36 31 30 32 31 30 36 32 30 36 30 32 33 30 32 34 30 32 35 33 32 34 33 32 35 34 32 35 30 36 37 30 36 38 37 36 38 85 !NPHI: dihedrals 1 5 7 8 1 5 7 9 1 5 7 10 1 5 11 12 1 5 11 13 2 1 5 6 2 1 5 7 2 1 5 11 3 1 5 6 3 1 5 7 3 1 5 11 4 1 5 6 4 1 5 7 4 1 5 11 5 11 13 14 5 11 13 15 6 5 7 8 6 5 7 9 6 5 7 10 6 5 11 12 6 5 11 13 7 5 11 12 7 5 11 13 8 7 5 11 9 7 5 11 10 7 5 11 11 13 15 16 11 13 15 17 11 13 15 22 11 13 15 26 12 11 13 14 12 11 13 15 13 15 17 18 13 15 17 19 13 15 17 20 13 15 22 23 13 15 22 24 13 15 22 25 13 15 26 27 13 15 26 28 14 13 15 16 14 13 15 17 14 13 15 22 14 13 15 26 15 17 20 21 15 26 28 29 15 26 28 30 16 15 17 18 16 15 17 19 16 15 17 20 16 15 22 23 16 15 22 24 16 15 22 25 16 15 26 27 16 15 26 28 18 17 20 21 19 17 20 21 22 15 26 27 22 15 26 28 23 22 15 26 24 22 15 26 25 22 15 26 26 28 30 31 26 28 30 32 26 28 30 36 27 26 28 29 27 26 28 30 28 30 32 33 28 30 32 34 28 30 32 35 28 30 36 37 28 30 36 38 29 28 30 31 29 28 30 32 29 28 30 36 31 30 32 33 31 30 32 34 31 30 32 35 31 30 36 37 31 30 36 38 32 30 36 37 32 30 36 38 33 32 30 36 34 32 30 36 35 32 30 36 5 !NIMPHI: impropers 11 5 13 12 13 11 15 14 26 15 28 27 28 26 30 29 37 30 38 36 6 !NDON: donors 1 2 1 3 1 4 13 14 20 21 28 29 5 !NACC: acceptors 12 11 20 0 27 26 37 36 38 36 30 !NNB 22 23 24 25 26 27 22 23 24 25 26 27 22 23 24 25 26 27 22 23 24 25 26 27 22 23 24 25 26 27 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 12 18 24 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 10 0 !NGRP NST2 0 2 0 6 1 0 10 1 0 12 1 0 16 1 0 21 1 0 25 1 0 27 1 0 31 1 0 35 2 0 1 !MOLNT 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms