Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / CSA / GAB / local / outputs / 1l2y_csa@003.pdb

diff --git a/examples/unres/CSA/GAB/local/outputs/1l2y_csa@003.pdb b/examples/unres/CSA/GAB/local/outputs/1l2y_csa@003.pdb
new file mode 100644 (file)
index 0000000..a90fe68
--- /dev/null
+++ b/examples/unres/CSA/GAB/local/outputs/1l2y_csa@003.pdb
@@ -0,0 +1,61 @@
+REMARK GM  3 e      4153 m      4 rms  1.80 %NC  66.7     ENERGY    -8.48152E+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       5.221   0.823   0.371          0.000
+ATOM      3  CA  LEU     2       5.344  -3.472   0.000          0.000
+ATOM      4  CB  LEU     2       5.789  -5.322  -0.374          0.000
+ATOM      5  CA  TYR     3       8.635  -2.146  -1.359          0.000
+ATOM      6  CB  TYR     3       9.631  -3.954  -2.741          0.000
+ATOM      7  CA  ILE     4       9.834  -1.302   2.146          0.000
+ATOM      8  CB  ILE     4       9.611   0.269   2.944          0.000
+ATOM      9  CA  GLN     5       8.740  -4.721   3.393          0.000
+ATOM     10  CB  GLN     5       6.712  -3.914   3.896          0.000
+ATOM     11  CA  TRP     6      10.118  -6.334   0.240          0.000
+ATOM     12  CB  TRP     6      10.118  -8.271  -1.502          0.000
+ATOM     13  CA  LEU     7      13.266  -4.222   0.510          0.000
+ATOM     14  CB  LEU     7      13.998  -2.427   0.467          0.000
+ATOM     15  CA  LYS     8      13.743  -5.365   4.102          0.000
+ATOM     16  CB  LYS     8      12.897  -3.208   5.144          0.000
+ATOM     17  CA  ASP     9      13.136  -8.997   3.164          0.000
+ATOM     18  CB  ASP     9      11.475  -9.062   2.770          0.000
+ATOM     19  CA  GLY    10      16.544  -9.165   1.490          0.000
+ATOM     20  CA  GLY    11      16.194  -6.806  -1.469          0.000
+ATOM     21  CA  PRO    12      13.586  -8.833  -3.348          0.000
+ATOM     22  CB  PRO    12      14.133  -8.712  -4.571          0.000
+ATOM     23  CA  SER    13      14.854 -12.118  -1.920          0.000
+ATOM     24  CB  SER    13      15.916 -11.733  -1.705          0.000
+ATOM     25  CA  SER    14      11.961 -12.574   0.502          0.000
+ATOM     26  CB  SER    14      10.958 -12.062   0.269          0.000
+ATOM     27  CA  GLY    15      10.903 -16.007  -0.736          0.000
+ATOM     28  CA  ARG    16       8.553 -14.673  -3.408          0.000
+ATOM     29  CB  ARG    16       7.210 -11.975  -3.221          0.000
+ATOM     30  CA  PRO    17       9.186 -12.870  -6.692          0.000
+ATOM     31  CB  PRO    17       8.174 -13.683  -7.043          0.000
+ATOM     32  CA  PRO    18      10.106  -9.188  -6.512          0.000
+ATOM     33  CB  PRO    18      10.966  -9.484  -7.502          0.000
+ATOM     34  CA  PRO    19       7.476  -6.590  -7.390          0.000
+ATOM     35  CB  PRO    19       7.308  -6.660  -6.057          0.000
+ATOM     36  CA  SER    20       8.460  -3.707  -9.662          0.000
+ATOM     37  CB  SER    20       8.194  -4.146 -10.691          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