corrected example CSA run with 4P

[unres.git] / examples / unres / CSA / 4P / outputs / 1l2y_csa@053.pdb

diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@053.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@053.pdb
new file mode 100644 (file)
index 0000000..15e9ac6
--- /dev/null
+++ b/examples/unres/CSA/4P/outputs/1l2y_csa@053.pdb
@@ -0,0 +1,63 @@
+REMARK GM 53 e   8042481 m  34707                         ENERGY    -1.85283E+02
+HELIX    1 H1  LEU      2  GLY     10  1                                       8
+SHEET    1 B1  2 GLY    11  SER    13  0
+SHEET    2 B1  2 ARG    16  PRO    18 -1  N  PRO    18   O  GLY    11
+ATOM      1  CA  ASN     1       3.800   0.000   0.000          0.000
+ATOM      2  CB  ASN     1       5.352   0.503   0.417          0.000
+ATOM      3  CA  LEU     2       4.042  -3.792   0.000          0.000
+ATOM      4  CB  LEU     2       4.055  -5.731  -0.052          0.000
+ATOM      5  CA  TYR     3       1.497  -4.081  -2.806          0.000
+ATOM      6  CB  TYR     3       0.564  -1.785  -2.636          0.000
+ATOM      7  CA  ILE     4       4.069  -3.162  -5.448          0.000
+ATOM      8  CB  ILE     4       4.288  -1.515  -6.075          0.000
+ATOM      9  CA  GLN     5       6.562  -5.674  -4.065          0.000
+ATOM     10  CB  GLN     5       7.511  -4.302  -2.571          0.000
+ATOM     11  CA  TRP     6       3.815  -8.263  -3.634          0.000
+ATOM     12  CB  TRP     6       4.699 -10.704  -3.417          0.000
+ATOM     13  CA  LEU     7       2.374  -7.482  -7.062          0.000
+ATOM     14  CB  LEU     7       0.934  -6.306  -6.513          0.000
+ATOM     15  CA  LYS     8       5.844  -7.477  -8.613          0.000
+ATOM     16  CB  LYS     8       6.617  -5.057  -8.649          0.000
+ATOM     17  CA  ASP     9       6.622 -10.922  -7.210          0.000
+ATOM     18  CB  ASP     9       7.504 -12.058  -6.287          0.000
+ATOM     19  CA  GLY    10       3.446 -12.464  -8.615          0.000
+ATOM     20  CA  GLY    11       2.888 -14.571 -11.728          0.000
+ATOM     21  CA  PRO    12       5.395 -15.055 -14.542          0.000
+ATOM     22  CB  PRO    12       4.536 -15.519 -15.467          0.000
+ATOM     23  CA  SER    13       5.793 -11.853 -16.551          0.000
+ATOM     24  CB  SER    13       6.071 -11.971 -17.660          0.000
+ATOM     25  CA  SER    14       2.022 -11.676 -16.984          0.000
+ATOM     26  CB  SER    14       1.460 -12.673 -16.871          0.000
+ATOM     27  CA  GLY    15       1.621 -10.446 -13.411          0.000
+ATOM     28  CA  ARG    16       5.240 -10.202 -12.277          0.000
+ATOM     29  CB  ARG    16       3.535  -7.923 -11.266          0.000
+ATOM     30  CA  PRO    17       7.662 -12.998 -11.408          0.000
+ATOM     31  CB  PRO    17       8.336 -11.979 -10.844          0.000
+ATOM     32  CA  PRO    18       6.557 -15.932  -9.262          0.000
+ATOM     33  CB  PRO    18       6.299 -16.502 -10.453          0.000
+ATOM     34  CA  PRO    19       9.029 -17.548  -6.871          0.000
+ATOM     35  CB  PRO    19       8.467 -16.751  -5.944          0.000
+ATOM     36  CA  SER    20       9.243 -20.741  -8.920          0.000
+ATOM     37  CB  SER    20       8.260 -21.051  -9.430          0.000
+TER
+CONECT    1    3    2
+CONECT    3    5    4
+CONECT    5    7    6
+CONECT    7    9    8
+CONECT    9   11   10
+CONECT   11   13   12
+CONECT   13   15   14
+CONECT   15   17   16
+CONECT   17   19   18
+CONECT   19   20
+CONECT   20   21
+CONECT   21   23   22
+CONECT   23   25   24
+CONECT   25   27   26
+CONECT   27   28
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT   34   36   35
+CONECT   36   37
+ENDMDL