Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / CSA / GAB / local / outputs / 1l2y_csa@022.pdb

diff --git a/examples/unres/CSA/GAB/local/outputs/1l2y_csa@022.pdb b/examples/unres/CSA/GAB/local/outputs/1l2y_csa@022.pdb
new file mode 100644 (file)
index 0000000..24caaf8
--- /dev/null
+++ b/examples/unres/CSA/GAB/local/outputs/1l2y_csa@022.pdb
@@ -0,0 +1,61 @@
+REMARK GM 22 e   1470737 m   4262 rms  2.31 %NC  53.3     ENERGY    -9.08499E+01
+HELIX    1 H1  TYR      3  GLY     10  1                                       7
+ATOM      1  CA  ASN     1       3.800   0.000   0.000          0.000
+ATOM      2  CB  ASN     1       5.414   0.458   0.141          0.000
+ATOM      3  CA  LEU     2       4.056  -3.791   0.000          0.000
+ATOM      4  CB  LEU     2       3.504  -5.587  -0.479          0.000
+ATOM      5  CA  TYR     3       6.090  -3.751  -3.209          0.000
+ATOM      6  CB  TYR     3       5.994  -1.301  -3.610          0.000
+ATOM      7  CA  ILE     4       9.313  -3.098  -1.305          0.000
+ATOM      8  CB  ILE     4       9.982  -1.462  -1.127          0.000
+ATOM      9  CA  GLN     5       8.387  -5.708   1.296          0.000
+ATOM     10  CB  GLN     5       7.068  -4.367   2.512          0.000
+ATOM     11  CA  TRP     6       7.269  -8.065  -1.467          0.000
+ATOM     12  CB  TRP     6       5.621  -9.882  -2.345          0.000
+ATOM     13  CA  LEU     7      10.317  -7.170  -3.552          0.000
+ATOM     14  CB  LEU     7       9.090  -6.465  -4.878          0.000
+ATOM     15  CA  LYS     8      12.597  -7.968  -0.618          0.000
+ATOM     16  CB  LYS     8      11.711  -6.055   0.800          0.000
+ATOM     17  CA  ASP     9      10.743 -11.211   0.080          0.000
+ATOM     18  CB  ASP     9       9.403 -10.392   0.756          0.000
+ATOM     19  CA  GLY    10      12.375 -12.828  -2.947          0.000
+ATOM     20  CA  GLY    11      10.967 -10.842  -5.865          0.000
+ATOM     21  CA  PRO    12       7.328 -11.899  -5.584          0.000
+ATOM     22  CB  PRO    12       6.862 -10.798  -6.199          0.000
+ATOM     23  CA  SER    13       8.234 -15.342  -4.253          0.000
+ATOM     24  CB  SER    13       9.357 -15.508  -4.066          0.000
+ATOM     25  CA  SER    14       7.288 -14.524  -0.664          0.000
+ATOM     26  CB  SER    14       7.074 -13.408  -0.486          0.000
+ATOM     27  CA  GLY    15       4.043 -15.698   0.927          0.000
+ATOM     28  CA  ARG    16       2.149 -12.490   0.179          0.000
+ATOM     29  CB  ARG    16       4.120 -10.389   1.086          0.000
+ATOM     30  CA  PRO    17       0.440 -11.296  -2.998          0.000
+ATOM     31  CB  PRO    17       0.015 -10.338  -2.155          0.000
+ATOM     32  CA  PRO    18       2.577 -10.369  -6.000          0.000
+ATOM     33  CB  PRO    18       1.680 -11.113  -6.671          0.000
+ATOM     34  CA  PRO    19       2.914  -6.696  -6.914          0.000
+ATOM     35  CB  PRO    19       3.707  -6.748  -5.828          0.000
+ATOM     36  CA  SER    20       2.816  -5.808 -10.607          0.000
+ATOM     37  CB  SER    20       2.031  -4.999 -10.833          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