corrected example CSA run with 4P

[unres.git] / examples / unres / CSA / 4P / outputs / 1l2y_csa@045.pdb

diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@045.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@045.pdb
new file mode 100644 (file)
index 0000000..f24574b
--- /dev/null
+++ b/examples/unres/CSA/4P/outputs/1l2y_csa@045.pdb
@@ -0,0 +1,63 @@
+REMARK GM 45 e   5718925 m  24177                         ENERGY    -1.85199E+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       5.353   0.502   0.416          0.000
+ATOM      3  CA  LEU     2       4.042  -3.792   0.000          0.000
+ATOM      4  CB  LEU     2       4.061  -5.730  -0.056          0.000
+ATOM      5  CA  TYR     3       1.528  -4.079  -2.835          0.000
+ATOM      6  CB  TYR     3       0.593  -1.784  -2.667          0.000
+ATOM      7  CA  ILE     4       4.128  -3.155  -5.447          0.000
+ATOM      8  CB  ILE     4       4.351  -1.506  -6.069          0.000
+ATOM      9  CA  GLN     5       6.609  -5.665  -4.039          0.000
+ATOM     10  CB  GLN     5       7.539  -4.291  -2.534          0.000
+ATOM     11  CA  TRP     6       3.860  -8.258  -3.641          0.000
+ATOM     12  CB  TRP     6       4.731 -10.704  -3.427          0.000
+ATOM     13  CA  LEU     7       2.458  -7.477  -7.086          0.000
+ATOM     14  CB  LEU     7       1.010  -6.307  -6.544          0.000
+ATOM     15  CA  LYS     8       5.946  -7.460  -8.595          0.000
+ATOM     16  CB  LYS     8       6.764  -5.055  -8.565          0.000
+ATOM     17  CA  ASP     9       6.714 -10.909  -7.198          0.000
+ATOM     18  CB  ASP     9       7.817 -10.766  -5.900          0.000
+ATOM     19  CA  GLY    10       3.571 -12.458  -8.670          0.000
+ATOM     20  CA  GLY    11       3.090 -14.552 -11.804          0.000
+ATOM     21  CA  PRO    12       5.592 -14.885 -14.644          0.000
+ATOM     22  CB  PRO    12       4.745 -15.365 -15.571          0.000
+ATOM     23  CA  SER    13       5.840 -11.633 -16.595          0.000
+ATOM     24  CB  SER    13       6.108 -11.719 -17.710          0.000
+ATOM     25  CA  SER    14       2.060 -11.589 -16.978          0.000
+ATOM     26  CB  SER    14       1.538 -12.608 -16.868          0.000
+ATOM     27  CA  GLY    15       1.660 -10.411 -13.387          0.000
+ATOM     28  CA  ARG    16       5.281 -10.083 -12.281          0.000
+ATOM     29  CB  ARG    16       3.576  -7.803 -11.273          0.000
+ATOM     30  CA  PRO    17       7.813 -12.802 -11.485          0.000
+ATOM     31  CB  PRO    17       8.450 -11.781 -10.885          0.000
+ATOM     32  CA  PRO    18       6.819 -15.787  -9.354          0.000
+ATOM     33  CB  PRO    18       6.621 -16.340 -10.564          0.000
+ATOM     34  CA  PRO    19       9.253 -17.008  -6.704          0.000
+ATOM     35  CB  PRO    19       8.734 -16.069  -5.893          0.000
+ATOM     36  CA  SER    20       9.857 -20.310  -8.486          0.000
+ATOM     37  CB  SER    20       8.939 -20.755  -9.016          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