restructured examples

[unres.git] / examples / unres / CSA / 4P / outputs / 1l2y_csa@012.pdb

diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@012.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@012.pdb
new file mode 100644 (file)
index 0000000..73ed5f2
--- /dev/null
+++ b/examples/unres/CSA/4P/outputs/1l2y_csa@012.pdb
@@ -0,0 +1,62 @@
+REMARK GM 12 e    166126 m    553                         ENERGY    -1.64179E+02
+SHEET    1 B1  2 TYR     3  TRP     6  0
+SHEET    2 B1  2 PRO    12  GLY    15  1  N  PRO    12   O  TYR     3
+ATOM      1  CA  ASN     1       3.800   0.000   0.000          0.000
+ATOM      2  CB  ASN     1       4.232   1.456   0.728          0.000
+ATOM      3  CA  LEU     2       4.039  -3.792   0.000          0.000
+ATOM      4  CB  LEU     2       4.152  -5.495   0.921          0.000
+ATOM      5  CA  TYR     3       1.467  -4.133  -2.776          0.000
+ATOM      6  CB  TYR     3      -0.942  -4.088  -3.380          0.000
+ATOM      7  CA  ILE     4       1.909  -4.660  -6.514          0.000
+ATOM      8  CB  ILE     4       2.555  -6.311  -6.418          0.000
+ATOM      9  CA  GLN     5       0.851  -2.251  -9.256          0.000
+ATOM     10  CB  GLN     5       1.754  -1.196 -11.013          0.000
+ATOM     11  CA  TRP     6      -0.322  -5.103 -11.477          0.000
+ATOM     12  CB  TRP     6      -0.523  -3.450 -13.480          0.000
+ATOM     13  CA  LEU     7      -3.000  -7.645 -10.582          0.000
+ATOM     14  CB  LEU     7      -4.909  -7.471 -10.878          0.000
+ATOM     15  CA  LYS     8      -1.322 -10.350 -12.656          0.000
+ATOM     16  CB  LYS     8      -0.311 -10.128 -14.977          0.000
+ATOM     17  CA  ASP     9       1.418 -10.896 -10.080          0.000
+ATOM     18  CB  ASP     9       0.862  -9.538  -9.204          0.000
+ATOM     19  CA  GLY    10       0.893 -13.602  -7.464          0.000
+ATOM     20  CA  GLY    11       1.373 -11.325  -4.461          0.000
+ATOM     21  CA  PRO    12      -0.478  -8.161  -3.459          0.000
+ATOM     22  CB  PRO    12       0.564  -8.080  -2.614          0.000
+ATOM     23  CA  SER    13      -1.733  -6.156  -6.434          0.000
+ATOM     24  CB  SER    13      -2.649  -6.770  -6.760          0.000
+ATOM     25  CA  SER    14      -2.959  -2.790  -7.701          0.000
+ATOM     26  CB  SER    14      -2.101  -2.067  -7.954          0.000
+ATOM     27  CA  GLY    15      -4.550  -3.118 -11.136          0.000
+ATOM     28  CA  ARG    16      -4.144  -4.804 -14.517          0.000
+ATOM     29  CB  ARG    16      -3.757  -2.837 -16.776          0.000
+ATOM     30  CA  PRO    17      -1.103  -5.848 -16.544          0.000
+ATOM     31  CB  PRO    17      -2.006  -6.769 -16.925          0.000
+ATOM     32  CA  PRO    18       0.919  -3.117 -18.245          0.000
+ATOM     33  CB  PRO    18       1.958  -3.750 -17.671          0.000
+ATOM     34  CA  PRO    19       0.727  -2.855 -22.031          0.000
+ATOM     35  CB  PRO    19      -0.142  -1.891 -21.677          0.000
+ATOM     36  CA  SER    20       3.939  -3.366 -23.996          0.000
+ATOM     37  CB  SER    20       4.815  -3.827 -23.412          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