PSF 1 !NTITLE REMARKS VMD-generated NAMD/X-Plor PSF structure file 24 !NATOM 1 1 cs C1 CG2R61 -0.115 12.0110 0 2 1 cs H1 HGR61 0.115 1.0080 0 3 1 cs C2 CG2R61 -0.210 12.0110 0 4 1 cs H2 HGR61 0.210 1.0080 0 5 1 cs C3 CG2R61 -0.400 12.0110 0 6 1 cs S1 SG301 1.350 32.0600 0 7 1 cs O1 OG2P1 -0.650 15.9990 0 8 1 cs O2 OG2P1 -0.650 15.9990 0 9 1 cs O3 OG2P1 -0.650 15.9990 0 10 1 cs C4 CG2R61 -0.210 12.0110 0 11 1 cs H3 HGR61 0.210 1.0080 0 12 1 cs C5 CG2R61 -0.115 12.0110 0 13 1 cs H4 HGR61 0.115 1.0080 0 14 1 cs C6 CG2R61 -0.000 12.0110 0 15 1 cs C7 CG311 -0.100 12.0110 0 16 1 cs H5 HGA1 0.090 1.0080 0 17 1 cs C9 CG331 -0.266 12.0110 0 18 1 cs H9 HGA3 0.090 1.0080 0 19 1 cs H10 HGA3 0.090 1.0080 0 20 1 cs H11 HGA3 0.090 1.0080 0 21 1 cs C8 CG331 -0.266 12.0110 0 22 1 cs H6 HGA3 0.090 1.0080 0 23 1 cs H7 HGA3 0.090 1.0080 0 24 1 cs H8 HGA3 0.090 1.0080 0 24 !NBOND: bonds 1 2 1 3 3 4 3 5 5 6 6 7 6 8 6 9 5 10 10 11 10 12 12 13 12 14 14 15 14 1 15 16 15 17 15 21 17 18 17 19 17 20 21 22 21 23 21 24 42 !NTHETA: angles 2 1 3 3 1 14 2 1 14 1 3 4 1 3 5 4 3 5 3 5 6 6 5 10 3 5 10 5 6 7 5 6 8 5 6 9 7 6 8 7 6 9 8 6 9 5 10 12 11 10 12 5 10 11 10 12 13 10 12 14 13 12 14 1 14 15 12 14 15 1 14 12 17 15 21 14 15 21 16 15 21 14 15 17 16 15 17 14 15 16 18 17 20 18 17 19 15 17 18 19 17 20 15 17 20 15 17 19 15 21 22 22 21 23 22 21 24 15 21 23 15 21 24 23 21 24 54 !NPHI: dihedrals 2 1 3 4 2 1 3 5 14 1 3 4 14 1 3 5 3 1 14 15 3 1 14 12 2 1 14 15 2 1 14 12 1 3 5 6 1 3 5 10 4 3 5 6 4 3 5 10 3 5 6 7 3 5 6 8 3 5 6 9 10 5 6 7 10 5 6 8 10 5 6 9 6 5 10 12 6 5 10 11 3 5 10 12 3 5 10 11 5 10 12 13 5 10 12 14 11 10 12 13 11 10 12 14 10 12 14 15 10 12 14 1 13 12 14 15 13 12 14 1 1 14 15 21 1 14 15 17 1 14 15 16 12 14 15 21 12 14 15 17 12 14 15 16 17 15 21 22 17 15 21 23 17 15 21 24 14 15 21 22 14 15 21 23 14 15 21 24 16 15 21 22 16 15 21 23 16 15 21 24 21 15 17 18 21 15 17 20 21 15 17 19 14 15 17 18 14 15 17 20 14 15 17 19 16 15 17 18 16 15 17 20 16 15 17 19 0 !NIMPHI: impropers 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 !NGRP 0 !NCRTERM: cross-terms