corrected example CSA run with 4P

[unres.git] / examples / unres / CSA / 4P / outputs / 1l2y_csa@047.pdb

diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@047.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@047.pdb
new file mode 100644 (file)
index 0000000..ede69ed
--- /dev/null
+++ b/examples/unres/CSA/4P/outputs/1l2y_csa@047.pdb
@@ -0,0 +1,63 @@
+REMARK GM 47 e   5779184 m  24450                         ENERGY    -1.85201E+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       4.057  -5.730  -0.052          0.000
+ATOM      5  CA  TYR     3       1.505  -4.081  -2.814          0.000
+ATOM      6  CB  TYR     3       0.569  -1.786  -2.646          0.000
+ATOM      7  CA  ILE     4       4.084  -3.158  -5.448          0.000
+ATOM      8  CB  ILE     4       4.303  -1.511  -6.073          0.000
+ATOM      9  CA  GLN     5       6.577  -5.668  -4.058          0.000
+ATOM     10  CB  GLN     5       7.520  -4.295  -2.561          0.000
+ATOM     11  CA  TRP     6       3.830  -8.260  -3.636          0.000
+ATOM     12  CB  TRP     6       4.721 -10.699  -3.418          0.000
+ATOM     13  CA  LEU     7       2.398  -7.479  -7.068          0.000
+ATOM     14  CB  LEU     7       0.955  -6.305  -6.521          0.000
+ATOM     15  CA  LYS     8       5.872  -7.467  -8.608          0.000
+ATOM     16  CB  LYS     8       6.701  -5.066  -8.577          0.000
+ATOM     17  CA  ASP     9       6.648 -10.916  -7.213          0.000
+ATOM     18  CB  ASP     9       7.771 -10.739  -5.937          0.000
+ATOM     19  CA  GLY    10       3.498 -12.465  -8.667          0.000
+ATOM     20  CA  GLY    11       2.999 -14.563 -11.796          0.000
+ATOM     21  CA  PRO    12       5.487 -14.898 -14.649          0.000
+ATOM     22  CB  PRO    12       4.635 -15.377 -15.574          0.000
+ATOM     23  CA  SER    13       5.724 -11.650 -16.606          0.000
+ATOM     24  CB  SER    13       5.986 -11.736 -17.722          0.000
+ATOM     25  CA  SER    14       1.942 -11.607 -16.970          0.000
+ATOM     26  CB  SER    14       1.421 -12.626 -16.860          0.000
+ATOM     27  CA  GLY    15       1.560 -10.425 -13.378          0.000
+ATOM     28  CA  ARG    16       5.185 -10.093 -12.290          0.000
+ATOM     29  CB  ARG    16       3.485  -7.816 -11.268          0.000
+ATOM     30  CA  PRO    17       7.724 -12.810 -11.505          0.000
+ATOM     31  CB  PRO    17       8.363 -11.788 -10.910          0.000
+ATOM     32  CA  PRO    18       6.743 -15.795  -9.367          0.000
+ATOM     33  CB  PRO    18       6.536 -16.349 -10.575          0.000
+ATOM     34  CA  PRO    19       9.205 -17.032  -6.750          0.000
+ATOM     35  CB  PRO    19       8.693 -16.098  -5.930          0.000
+ATOM     36  CA  SER    20       9.779 -20.329  -8.552          0.000
+ATOM     37  CB  SER    20       8.853 -20.768  -9.074          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