PSF 4 !NTITLE REMARKS original generated structure x-plor psf file REMARKS topology top_all27_prot_na.rtf REMARKS topology top-ign-cgenff.rtf REMARKS segment I { first NONE; last NONE; auto angles dihedrals } 42 !NATOM 1 I 1 IGN F1 FGR1 -0.202000 18.9980 0 2 I 1 IGN C1 CG2R61 -0.171000 12.0110 0 3 I 1 IGN H1 HGR61 0.115000 1.0080 0 4 I 1 IGN N1 NG2R51 0.178000 14.0070 0 5 I 1 IGN S1 SG311 -0.162000 32.0600 0 6 I 1 IGN O1 OG2D1 -0.510000 15.9994 0 7 I 1 IGN C10 CG321 -0.017000 12.0110 0 8 I 1 IGN H10 HGP1 0.319000 1.0080 0 9 I 1 IGN C11 CG2O1 0.501000 12.0110 0 10 I 1 IGN H11 HGR61 0.115000 1.0080 0 11 I 1 IGN C12 CG2R61 0.145000 12.0110 0 12 I 1 IGN H12 HGR62 0.194000 1.0080 0 13 I 1 IGN C13 CG2R61 -0.180000 12.0110 0 14 I 1 IGN H13 HGR62 0.194000 1.0080 0 15 I 1 IGN C14 CG2R61 -0.089000 12.0110 0 16 I 1 IGN H14 HGR61 0.115000 1.0080 0 17 I 1 IGN C15 CG2R66 0.116000 12.0110 0 18 I 1 IGN C16 CG2R61 -0.089000 12.0110 0 19 I 1 IGN C17 CG2R61 -0.180000 12.0110 0 20 I 1 IGN C2 CG2R61 -0.099000 12.0110 0 21 I 1 IGN H2 HGR61 0.115000 1.0080 0 22 I 1 IGN N2 NG2R50 -0.634000 14.0070 0 23 I 1 IGN O2 OG2D1 -0.524000 15.9994 0 24 I 1 IGN F2 FGR1 -0.202000 18.9980 0 25 I 1 IGN H3 HGR62 0.187000 1.0080 0 26 I 1 IGN C3 CG2R61 0.071000 12.0110 0 27 I 1 IGN N3 NG2R50 -0.024000 14.0070 0 28 I 1 IGN C4 CG2R61 -0.136000 12.0110 0 29 I 1 IGN H4 HGR62 0.194000 1.0080 0 30 I 1 IGN N4 NG2R50 -0.357000 14.0070 0 31 I 1 IGN C5 CG2R66 0.129000 12.0110 0 32 I 1 IGN H5 HGA2 0.090000 1.0080 0 33 I 1 IGN N5 NG2S1 -0.452000 14.0070 0 34 I 1 IGN C6 CG2R61 -0.095000 12.0110 0 35 I 1 IGN H6 HGA2 0.090000 1.0080 0 36 I 1 IGN N6 NG2S1 -0.473000 14.0070 0 37 I 1 IGN C7 CG2R53 0.739000 12.0110 0 38 I 1 IGN H7 HGP1 0.312000 1.0080 0 39 I 1 IGN C8 CG321 -0.053000 12.0110 0 40 I 1 IGN H8 HGA2 0.090000 1.0080 0 41 I 1 IGN C9 CG2O1 0.550000 12.0110 0 42 I 1 IGN H9 HGA2 0.090000 1.0080 0 44 !NBOND: bonds 1 31 2 3 2 20 2 34 4 26 4 30 4 37 5 37 5 39 6 41 7 9 7 33 7 40 7 42 8 36 9 23 9 36 10 13 11 13 11 19 11 36 12 15 13 15 14 18 15 17 16 19 17 18 17 24 18 19 20 21 20 26 22 27 22 37 25 28 26 28 27 30 28 31 29 34 31 34 32 39 33 38 33 41 35 39 39 41 70 !NTHETA: angles 1 31 34 1 31 28 2 34 31 2 34 29 2 20 26 2 20 21 3 2 34 3 2 20 4 37 22 4 37 5 4 30 27 4 26 28 4 26 20 5 39 41 5 39 35 5 39 32 5 37 22 6 41 39 6 41 33 7 33 41 7 33 38 7 9 36 7 9 23 8 36 11 8 36 9 9 36 11 9 7 42 9 7 40 9 7 33 10 13 15 10 13 11 11 19 18 11 19 16 11 13 15 12 15 17 12 15 13 13 15 17 13 11 36 13 11 19 14 18 19 14 18 17 15 17 24 15 17 18 16 19 18 17 18 19 18 17 24 19 11 36 20 26 28 20 2 34 21 20 26 22 27 30 23 9 36 25 28 31 25 28 26 26 28 31 26 4 37 26 4 30 27 22 37 28 31 34 29 34 31 30 4 37 32 39 41 32 39 35 33 41 39 33 7 42 33 7 40 35 39 41 37 5 39 38 33 41 40 7 42 97 !NPHI: dihedrals 1 31 28 25 1 31 28 26 1 31 34 2 1 31 34 29 2 34 31 28 2 20 26 4 2 20 26 28 3 2 20 21 3 2 20 26 3 2 34 29 3 2 34 31 4 37 5 39 4 37 22 27 4 30 27 22 4 26 20 21 4 26 28 25 4 26 28 31 5 39 41 6 5 39 41 33 5 37 4 26 5 37 4 30 5 37 22 27 6 41 33 7 6 41 33 38 6 41 39 32 6 41 39 35 7 33 41 39 7 9 36 8 7 9 36 11 8 36 9 23 8 36 11 13 8 36 11 19 9 36 11 13 9 36 11 19 9 7 33 38 9 7 33 41 10 13 11 19 10 13 11 36 10 13 15 12 10 13 15 17 11 36 9 23 11 19 18 14 11 19 18 17 11 13 15 12 11 13 15 17 12 15 17 18 12 15 17 24 13 15 17 18 13 15 17 24 13 11 19 16 13 11 19 18 14 18 17 15 14 18 17 24 14 18 19 16 15 17 18 19 15 13 11 19 15 13 11 36 16 19 11 36 16 19 18 17 18 19 11 36 19 18 17 24 20 26 4 30 20 26 4 37 20 26 28 25 20 26 28 31 20 2 34 29 20 2 34 31 21 20 2 34 21 20 26 28 22 37 4 26 22 37 4 30 22 37 5 39 23 9 7 33 23 9 7 40 23 9 7 42 25 28 31 34 26 28 31 34 26 20 2 34 26 4 30 27 27 30 4 37 28 31 34 29 28 26 4 30 28 26 4 37 30 27 22 37 32 39 5 37 32 39 41 33 33 41 39 35 33 7 9 36 35 39 5 37 36 9 7 40 36 9 7 42 37 5 39 41 38 33 7 40 38 33 7 42 38 33 41 39 40 7 33 41 41 33 7 42 2 !NIMPHI: impropers 9 7 36 23 41 39 33 6 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 0 0 1 0 !NGRP 0 0 0