corrected example CSA run with 4P

[unres.git] / examples / unres / CSA / 4P / outputs / 1l2y_csa@054.pdb

diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@054.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@054.pdb
new file mode 100644 (file)
index 0000000..1cbf688
--- /dev/null
+++ b/examples/unres/CSA/4P/outputs/1l2y_csa@054.pdb
@@ -0,0 +1,63 @@
+REMARK GM 54 e   8163883 m  35252                         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   0.419          0.000
+ATOM      3  CA  LEU     2       4.042  -3.792   0.000          0.000
+ATOM      4  CB  LEU     2       4.052  -5.731  -0.048          0.000
+ATOM      5  CA  TYR     3       1.483  -4.082  -2.794          0.000
+ATOM      6  CB  TYR     3       0.553  -1.785  -2.623          0.000
+ATOM      7  CA  ILE     4       4.044  -3.170  -5.449          0.000
+ATOM      8  CB  ILE     4       4.262  -1.524  -6.079          0.000
+ATOM      9  CA  GLN     5       6.542  -5.682  -4.075          0.000
+ATOM     10  CB  GLN     5       7.499  -4.310  -2.586          0.000
+ATOM     11  CA  TRP     6       3.793  -8.268  -3.625          0.000
+ATOM     12  CB  TRP     6       4.677 -10.708  -3.405          0.000
+ATOM     13  CA  LEU     7       2.336  -7.491  -7.048          0.000
+ATOM     14  CB  LEU     7       0.901  -6.311  -6.494          0.000
+ATOM     15  CA  LYS     8       5.798  -7.492  -8.615          0.000
+ATOM     16  CB  LYS     8       6.574  -5.073  -8.659          0.000
+ATOM     17  CA  ASP     9       6.580 -10.935  -7.210          0.000
+ATOM     18  CB  ASP     9       7.465 -12.068  -6.286          0.000
+ATOM     19  CA  GLY    10       3.396 -12.477  -8.597          0.000
+ATOM     20  CA  GLY    11       2.821 -14.589 -11.703          0.000
+ATOM     21  CA  PRO    12       5.313 -15.079 -14.529          0.000
+ATOM     22  CB  PRO    12       4.450 -15.545 -15.449          0.000
+ATOM     23  CA  SER    13       5.702 -11.881 -16.545          0.000
+ATOM     24  CB  SER    13       5.975 -12.000 -17.656          0.000
+ATOM     25  CA  SER    14       1.929 -11.702 -16.959          0.000
+ATOM     26  CB  SER    14       1.368 -12.698 -16.842          0.000
+ATOM     27  CA  GLY    15       1.548 -10.465 -13.386          0.000
+ATOM     28  CA  ARG    16       5.173 -10.222 -12.272          0.000
+ATOM     29  CB  ARG    16       3.475  -7.940 -11.256          0.000
+ATOM     30  CA  PRO    17       7.597 -13.018 -11.411          0.000
+ATOM     31  CB  PRO    17       8.275 -11.999 -10.853          0.000
+ATOM     32  CA  PRO    18       6.501 -15.947  -9.253          0.000
+ATOM     33  CB  PRO    18       6.237 -16.519 -10.441          0.000
+ATOM     34  CA  PRO    19       8.985 -17.559  -6.871          0.000
+ATOM     35  CB  PRO    19       8.423 -16.763  -5.945          0.000
+ATOM     36  CA  SER    20       9.180 -20.760  -8.910          0.000
+ATOM     37  CB  SER    20       8.194 -21.065  -9.418          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