PSF EXT 6 !NTITLE REMARKS original generated structure x-plor psf file REMARKS 2 patches were applied to the molecule. REMARKS topology 2MA_ideal_autopsf-temp.top REMARKS segment AO1 { first 5TER; last 3TER; auto angles dihedrals } REMARKS patch 3TER AO1:1 REMARKS patch 5TER AO1:1 35 !NATOM 1 AO1 1 2MA H5T HN5 0.430000 1.0080 0 2 AO1 1 2MA O5' ON5 -0.660000 15.9994 0 3 AO1 1 2MA C5' CN8B 0.050000 12.0110 0 4 AO1 1 2MA H5' HN8 0.090000 1.0080 0 5 AO1 1 2MA H5'' HN8 0.090000 1.0080 0 6 AO1 1 2MA C4' CN7 0.160000 12.0110 0 7 AO1 1 2MA H4' HN7 0.090000 1.0080 0 8 AO1 1 2MA O4' ON6B -0.500000 15.9994 0 9 AO1 1 2MA C1' CN7B 0.160000 12.0110 0 10 AO1 1 2MA H1' HN7 0.090000 1.0080 0 11 AO1 1 2MA N9 NG2R51 -0.052000 14.0070 0 12 AO1 1 2MA C8 CG2R53 0.340000 12.0110 0 13 AO1 1 2MA N7 NG2R50 -0.712000 14.0070 0 14 AO1 1 2MA C5 CG2RC0 0.286000 12.0110 0 15 AO1 1 2MA C6 CG2R64 0.433000 12.0110 0 16 AO1 1 2MA N6 NG2S3 -0.772000 14.0070 0 17 AO1 1 2MA H62 HGP4 0.380000 1.0080 0 18 AO1 1 2MA N1 NG2R62 -0.683000 14.0070 0 19 AO1 1 2MA C2 CG2R64 0.443000 12.0110 0 20 AO1 1 2MA CM2 CG331 -0.165000 12.0110 0 21 AO1 1 2MA N3 NG2R62 -0.709000 14.0070 0 22 AO1 1 2MA C4 CG2RC0 0.430000 12.0110 0 23 AO1 1 2MA H8 HGR52 0.130000 1.0080 0 24 AO1 1 2MA H61 HGP4 0.380000 1.0080 0 25 AO1 1 2MA HM21 HGA3 0.090000 1.0080 0 26 AO1 1 2MA HM22 HGA3 0.090000 1.0080 0 27 AO1 1 2MA HM23 HGA3 0.090000 1.0080 0 28 AO1 1 2MA C2' CN7B 0.140000 12.0110 0 29 AO1 1 2MA H2'' HN7 0.090000 1.0080 0 30 AO1 1 2MA O2' ON5 -0.660000 15.9994 0 31 AO1 1 2MA H2' HN5 0.430000 1.0080 0 32 AO1 1 2MA C3' CN7 0.140000 12.0110 0 33 AO1 1 2MA H3' HN7 0.090000 1.0080 0 34 AO1 1 2MA O3' ON5 -0.660000 15.9994 0 35 AO1 1 2MA H3T HN5 0.430000 1.0080 0 37 !NBOND: bonds 1 2 2 3 3 6 3 4 3 5 6 8 6 32 6 7 8 9 9 11 9 28 9 10 11 22 11 12 12 23 13 12 14 13 15 16 15 14 16 24 16 17 18 15 19 18 19 20 19 21 20 25 20 26 20 27 22 21 22 14 28 32 28 30 28 29 30 31 32 34 32 33 34 35 64 !NTHETA: angles 1 2 3 2 3 5 2 3 4 2 3 6 3 6 7 3 6 32 3 6 8 4 3 5 6 32 33 6 32 34 6 32 28 6 8 9 6 3 5 6 3 4 8 9 10 8 9 28 8 9 11 8 6 7 8 6 32 9 28 29 9 28 30 9 28 32 9 11 12 9 11 22 11 22 14 11 22 21 11 12 13 11 12 23 11 9 10 11 9 28 13 14 22 14 15 18 14 13 12 15 16 17 15 16 24 15 14 22 15 14 13 16 15 18 16 15 14 18 19 21 18 19 20 19 20 27 19 20 26 19 20 25 19 18 15 20 19 21 21 22 14 22 21 19 22 11 12 23 12 13 24 16 17 25 20 27 25 20 26 26 20 27 28 32 33 28 32 34 28 30 31 28 9 10 30 28 29 32 28 29 32 28 30 32 6 7 34 32 33 35 34 32 95 !NPHI: dihedrals 1 2 3 6 1 2 3 4 1 2 3 5 2 3 6 8 2 3 6 32 2 3 6 7 3 6 8 9 3 6 32 28 3 6 32 34 3 6 32 33 4 3 6 8 4 3 6 32 4 3 6 7 5 3 6 8 5 3 6 32 5 3 6 7 6 32 28 9 6 32 28 30 6 32 28 29 6 32 34 35 6 8 9 11 6 8 9 28 6 8 9 10 7 6 8 9 7 6 32 28 7 6 32 34 7 6 32 33 8 9 11 22 8 9 11 12 8 9 28 32 8 9 28 30 8 9 28 29 8 6 32 28 8 6 32 34 8 6 32 33 9 28 32 34 9 28 32 33 9 28 30 31 9 11 22 21 9 11 22 14 9 11 12 23 9 11 12 13 9 8 6 32 10 9 11 22 10 9 11 12 10 9 28 32 10 9 28 30 10 9 28 29 11 22 21 19 11 22 14 15 11 22 14 13 11 12 13 14 11 9 28 32 11 9 28 30 11 9 28 29 12 13 14 15 12 13 14 22 12 11 9 28 12 11 22 21 12 11 22 14 13 14 15 16 13 14 15 18 13 14 22 21 13 12 11 22 14 22 21 19 14 15 16 24 14 15 16 17 14 15 18 19 14 13 12 23 15 18 19 20 15 18 19 21 15 14 22 21 16 15 14 22 16 15 18 19 17 16 15 18 18 19 20 25 18 19 20 26 18 19 20 27 18 19 21 22 18 15 16 24 18 15 14 22 20 19 21 22 21 19 20 25 21 19 20 26 21 19 20 27 22 11 9 28 22 11 12 23 28 32 34 35 29 28 32 34 29 28 32 33 29 28 30 31 30 28 32 34 30 28 32 33 31 30 28 32 33 32 34 35 2 !NIMPHI: impropers 15 18 14 16 16 15 24 17 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 1 0 !NGRP 0 0 0