PSF

       6 !NTITLE
 REMARKS original generated structure x-plor psf file
 REMARKS 2 patches were applied to the molecule.
 REMARKS topology ../common/top_all22_prot.inp 
 REMARKS segment ALA { first ACE; last CT3; auto angles dihedrals }
 REMARKS patch ACE ALA:1  
 REMARKS patch CT3 ALA:1  

      22 !NATOM
       1 ALA  1    ALA  C    C      0.510000       12.0110           0
       2 ALA  1    ALA  O    O     -0.510000       15.9990           0
       3 ALA  1    ALA  NT   NH1   -0.470000       14.0070           0
       4 ALA  1    ALA  HNT  H      0.310000        1.0080           0
       5 ALA  1    ALA  CAT  CT3   -0.110000       12.0110           0
       6 ALA  1    ALA  HT1  HA     0.090000        1.0080           0
       7 ALA  1    ALA  HT2  HA     0.090000        1.0080           0
       8 ALA  1    ALA  HT3  HA     0.090000        1.0080           0
       9 ALA  1    ALA  CAY  CT3   -0.270000       12.0110           0
      10 ALA  1    ALA  HY1  HA     0.090000        1.0080           0
      11 ALA  1    ALA  HY2  HA     0.090000        1.0080           0
      12 ALA  1    ALA  HY3  HA     0.090000        1.0080           0
      13 ALA  1    ALA  CY   C      0.510000       12.0110           0
      14 ALA  1    ALA  OY   O     -0.510000       15.9990           0
      15 ALA  1    ALA  N    NH1   -0.470000       14.0070           0
      16 ALA  1    ALA  HN   H      0.310000        1.0080           0
      17 ALA  1    ALA  CA   CT1    0.070000       12.0110           0
      18 ALA  1    ALA  HA   HB     0.090000        1.0080           0
      19 ALA  1    ALA  CB   CT3   -0.270000       12.0110           0
      20 ALA  1    ALA  HB1  HA     0.090000        1.0080           0
      21 ALA  1    ALA  HB2  HA     0.090000        1.0080           0
      22 ALA  1    ALA  HB3  HA     0.090000        1.0080           0

      21 !NBOND: bonds
       1       3       1      17       2       1       3       4
       3       5       5       6       5       7       5       8
       9      10       9      11       9      12      13       9
      13      15      14      13      15      16      15      17
      17      18      19      17      19      20      19      21
      19      22

      36 !NTHETA: angles
       1      17      18       1       3       5       1       3       4
       3       5       8       3       5       7       3       5       6
       3       1       2       3       1      17       4       3       5
       6       5       8       6       5       7       7       5       8
       9      13      14       9      13      15      10       9      12
      10       9      11      11       9      12      13      15      17
      13      15      16      13       9      12      13       9      11
      13       9      10      15      17      18      15      17       1
      15      13      14      16      15      17      17      19      22
      17      19      21      17      19      20      17       1       2
      19      17      18      19      17       1      19      17      15
      20      19      22      20      19      21      21      19      22

      41 !NPHI: dihedrals
       1      17      19      20       1      17      19      21
       1      17      19      22       1      17      15      13
       1      17      15      16       1       3       5       6
       1       3       5       7       1       3       5       8
       2       1       3       4       2       1       3       5
       2       1      17      19       2       1      17      15
       2       1      17      18       3       1      17      19
       3       1      17      15       3       1      17      18
       4       3       1      17       4       3       5       6
       4       3       5       7       4       3       5       8
       5       3       1      17       9      13      15      16
       9      13      15      17      10       9      13      15
      10       9      13      14      11       9      13      15
      11       9      13      14      12       9      13      15
      12       9      13      14      13      15      17      19
      13      15      17      18      14      13      15      16
      14      13      15      17      15      17      19      20
      15      17      19      21      15      17      19      22
      16      15      17      19      16      15      17      18
      18      17      19      20      18      17      19      21
      18      17      19      22

       4 !NIMPHI: impropers
       1      17       3       2       3       1       5       4
      13       9      15      14      15      13      17      16

       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

       1       0 !NGRP
       0       0       0