corrected example CSA run with 4P

[unres.git] / examples / unres / CSA / 4P / outputs / 1l2y_csa@044.pdb

diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@044.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@044.pdb
new file mode 100644 (file)
index 0000000..5a5b43e
--- /dev/null
+++ b/examples/unres/CSA/4P/outputs/1l2y_csa@044.pdb
@@ -0,0 +1,63 @@
+REMARK GM 44 e   5680474 m  23998                         ENERGY    -1.85197E+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       5.354   0.491   0.423          0.000
+ATOM      3  CA  LEU     2       4.042  -3.792   0.000          0.000
+ATOM      4  CB  LEU     2       4.047  -5.731  -0.050          0.000
+ATOM      5  CA  TYR     3       1.510  -4.080  -2.819          0.000
+ATOM      6  CB  TYR     3       0.578  -1.784  -2.648          0.000
+ATOM      7  CA  ILE     4       4.097  -3.164  -5.448          0.000
+ATOM      8  CB  ILE     4       4.317  -1.513  -6.067          0.000
+ATOM      9  CA  GLN     5       6.579  -5.682  -4.058          0.000
+ATOM     10  CB  GLN     5       7.520  -4.321  -2.548          0.000
+ATOM     11  CA  TRP     6       3.822  -8.263  -3.633          0.000
+ATOM     12  CB  TRP     6       4.699 -10.705  -3.392          0.000
+ATOM     13  CA  LEU     7       2.397  -7.483  -7.068          0.000
+ATOM     14  CB  LEU     7       0.958  -6.303  -6.523          0.000
+ATOM     15  CA  LYS     8       5.873  -7.481  -8.604          0.000
+ATOM     16  CB  LYS     8       6.708  -5.082  -8.564          0.000
+ATOM     17  CA  ASP     9       6.634 -10.936  -7.215          0.000
+ATOM     18  CB  ASP     9       7.740 -10.794  -5.920          0.000
+ATOM     19  CA  GLY    10       3.477 -12.468  -8.673          0.000
+ATOM     20  CA  GLY    11       2.971 -14.557 -11.807          0.000
+ATOM     21  CA  PRO    12       5.457 -14.891 -14.662          0.000
+ATOM     22  CB  PRO    12       4.596 -15.376 -15.574          0.000
+ATOM     23  CA  SER    13       5.707 -11.636 -16.607          0.000
+ATOM     24  CB  SER    13       5.969 -11.722 -17.724          0.000
+ATOM     25  CA  SER    14       1.925 -11.578 -16.972          0.000
+ATOM     26  CB  SER    14       1.402 -12.596 -16.861          0.000
+ATOM     27  CA  GLY    15       1.546 -10.409 -13.376          0.000
+ATOM     28  CA  ARG    16       5.174 -10.094 -12.289          0.000
+ATOM     29  CB  ARG    16       3.490  -7.805 -11.266          0.000
+ATOM     30  CA  PRO    17       7.702 -12.823 -11.513          0.000
+ATOM     31  CB  PRO    17       8.344 -11.808 -10.906          0.000
+ATOM     32  CA  PRO    18       6.710 -15.807  -9.380          0.000
+ATOM     33  CB  PRO    18       6.507 -16.356 -10.591          0.000
+ATOM     34  CA  PRO    19       9.143 -17.016  -6.723          0.000
+ATOM     35  CB  PRO    19       8.628 -16.071  -5.916          0.000
+ATOM     36  CA  SER    20       9.759 -20.319  -8.498          0.000
+ATOM     37  CB  SER    20       8.844 -20.770  -9.028          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