Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / CSA / GAB / global / restrained / outputs / 1l2y_csa@018.pdb

diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@018.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@018.pdb
new file mode 100644 (file)
index 0000000..e76a22c
--- /dev/null
+++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@018.pdb
@@ -0,0 +1,61 @@
+REMARK GM 18 e    354506 m    976                         ENERGY    -8.23575E+01
+HELIX    1 H1  ILE      4  GLY     10  1                                       6
+ATOM      1  CA  ASN     1       3.800   0.000   0.000          0.000
+ATOM      2  CB  ASN     1       4.373   0.152   1.576          0.000
+ATOM      3  CA  LEU     2       5.692  -3.296   0.000          0.000
+ATOM      4  CB  LEU     2       5.940  -3.940  -1.812          0.000
+ATOM      5  CA  TYR     3       6.937  -2.729   3.545          0.000
+ATOM      6  CB  TYR     3       7.455  -1.354   5.548          0.000
+ATOM      7  CA  ILE     4       3.408  -3.093   4.906          0.000
+ATOM      8  CB  ILE     4       2.347  -3.226   3.487          0.000
+ATOM      9  CA  GLN     5       4.664  -5.655   7.416          0.000
+ATOM     10  CB  GLN     5       5.738  -6.947   5.934          0.000
+ATOM     11  CA  TRP     6       6.647  -2.904   9.131          0.000
+ATOM     12  CB  TRP     6       7.632  -1.512  11.100          0.000
+ATOM     13  CA  LEU     7       3.655  -0.567   8.975          0.000
+ATOM     14  CB  LEU     7       3.773   0.697   7.509          0.000
+ATOM     15  CA  LYS     8       1.469  -3.201  10.625          0.000
+ATOM     16  CB  LYS     8       0.234  -3.655   8.452          0.000
+ATOM     17  CA  ASP     9       4.290  -4.330  12.907          0.000
+ATOM     18  CB  ASP     9       5.068  -5.296  11.731          0.000
+ATOM     19  CA  GLY    10       4.374  -0.952  14.647          0.000
+ATOM     20  CA  GLY    11       5.498   2.029  12.576          0.000
+ATOM     21  CA  PRO    12       8.838   2.944  11.013          0.000
+ATOM     22  CB  PRO    12       8.910   4.182  11.535          0.000
+ATOM     23  CA  SER    13      11.403   1.989  13.649          0.000
+ATOM     24  CB  SER    13      12.180   2.791  13.922          0.000
+ATOM     25  CA  SER    14       8.950   2.708  16.460          0.000
+ATOM     26  CB  SER    14       7.926   3.014  16.034          0.000
+ATOM     27  CA  GLY    15       8.095  -0.973  16.858          0.000
+ATOM     28  CA  ARG    16      10.107  -3.650  15.061          0.000
+ATOM     29  CB  ARG    16       9.255  -4.724  12.370          0.000
+ATOM     30  CA  PRO    17      12.685  -2.930  12.364          0.000
+ATOM     31  CB  PRO    17      13.200  -4.072  12.854          0.000
+ATOM     32  CA  PRO    18      11.361  -2.051   8.912          0.000
+ATOM     33  CB  PRO    18      11.330  -0.787   9.371          0.000
+ATOM     34  CA  PRO    19      11.736  -4.656   6.171          0.000
+ATOM     35  CB  PRO    19      10.400  -4.692   6.327          0.000
+ATOM     36  CA  SER    20      13.888  -3.793   3.161          0.000
+ATOM     37  CB  SER    20      14.696  -4.590   2.975          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