Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / CSA / GAB / global / restrained / outputs / 1l2y_csa@015.pdb

diff --git a/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@015.pdb b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@015.pdb
new file mode 100644 (file)
index 0000000..e57d55c
--- /dev/null
+++ b/examples/unres/CSA/GAB/global/restrained/outputs/1l2y_csa@015.pdb
@@ -0,0 +1,61 @@
+REMARK GM 15 e    245371 m    642                         ENERGY    -7.93944E+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       5.417   0.342   0.324          0.000
+ATOM      3  CA  LEU     2       4.057  -3.791   0.000          0.000
+ATOM      4  CB  LEU     2       3.314  -5.509   0.507          0.000
+ATOM      5  CA  TYR     3       5.638  -5.093  -3.201          0.000
+ATOM      6  CB  TYR     3       7.969  -4.434  -3.750          0.000
+ATOM      7  CA  ILE     4       6.535  -8.784  -3.106          0.000
+ATOM      8  CB  ILE     4       5.250  -9.643  -2.229          0.000
+ATOM      9  CA  GLN     5       7.163  -8.794  -6.854          0.000
+ATOM     10  CB  GLN     5       5.609  -7.197  -7.089          0.000
+ATOM     11  CA  TRP     6      10.135  -6.474  -6.377          0.000
+ATOM     12  CB  TRP     6      12.283  -5.415  -7.400          0.000
+ATOM     13  CA  LEU     7      11.397  -8.597  -3.489          0.000
+ATOM     14  CB  LEU     7      11.126  -7.319  -2.057          0.000
+ATOM     15  CA  LYS     8      11.115 -11.725  -5.628          0.000
+ATOM     16  CB  LYS     8       8.951 -12.567  -4.594          0.000
+ATOM     17  CA  ASP     9      12.871  -9.990  -8.517          0.000
+ATOM     18  CB  ASP     9      11.734  -9.011  -9.334          0.000
+ATOM     19  CA  GLY    10      16.091  -9.636  -6.530          0.000
+ATOM     20  CA  GLY    11      18.334  -9.358  -9.585          0.000
+ATOM     21  CA  PRO    12      17.100  -5.865 -10.433          0.000
+ATOM     22  CB  PRO    12      16.683  -6.378 -11.605          0.000
+ATOM     23  CA  SER    13      16.984  -4.724  -6.810          0.000
+ATOM     24  CB  SER    13      18.027  -4.478  -6.394          0.000
+ATOM     25  CA  SER    14      15.375  -1.389  -5.955          0.000
+ATOM     26  CB  SER    14      14.240  -1.470  -6.117          0.000
+ATOM     27  CA  GLY    15      15.115  -0.090  -2.393          0.000
+ATOM     28  CA  ARG    16      11.619  -1.440  -1.766          0.000
+ATOM     29  CB  ARG    16       8.793  -0.748  -2.575          0.000
+ATOM     30  CA  PRO    17       9.831  -2.098   1.523          0.000
+ATOM     31  CB  PRO    17       8.816  -2.696   0.873          0.000
+ATOM     32  CA  PRO    18      10.580  -5.460   3.127          0.000
+ATOM     33  CB  PRO    18      10.416  -5.142   4.423          0.000
+ATOM     34  CA  PRO    19       7.516  -7.705   3.001          0.000
+ATOM     35  CB  PRO    19       7.416  -7.371   1.702          0.000
+ATOM     36  CA  SER    20       8.357  -9.425   6.283          0.000
+ATOM     37  CB  SER    20       9.415  -9.174   6.658          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