Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / CSA / 4P / outputs / 1l2y_csa@050.pdb

diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@050.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@050.pdb
new file mode 100644 (file)
index 0000000..93b3c0b
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+REMARK GM 50 e   5859169 m  25807                         ENERGY    -2.13656E+02
+HELIX    1 H1  TYR      3  GLY     10  1                                       7
+SHEET    1 B1  2 GLY    11  SER    13  0
+SHEET    2 B1  2 ARG    16  PRO    18 -1  N  PRO    18   O  GLY    11
+ATOM      1  CA  ASN     1       3.800   0.000   0.000          0.000
+ATOM      2  CB  ASN     1       4.378   0.213   1.567          0.000
+ATOM      3  CA  LEU     2       4.041  -3.792   0.000          0.000
+ATOM      4  CB  LEU     2       5.296  -4.667   1.191          0.000
+ATOM      5  CA  TYR     3       1.571  -4.116  -2.870          0.000
+ATOM      6  CB  TYR     3      -0.322  -3.076  -4.096          0.000
+ATOM      7  CA  ILE     4       2.692  -7.664  -3.640          0.000
+ATOM      8  CB  ILE     4       4.164  -7.933  -2.683          0.000
+ATOM      9  CA  GLN     5       0.686  -9.086  -0.743          0.000
+ATOM     10  CB  GLN     5       2.108  -9.554   0.923          0.000
+ATOM     11  CA  TRP     6      -2.282  -6.872  -1.599          0.000
+ATOM     12  CB  TRP     6      -3.349  -4.498  -1.708          0.000
+ATOM     13  CA  LEU     7      -2.154  -7.880  -5.261          0.000
+ATOM     14  CB  LEU     7      -2.389  -6.456  -6.556          0.000
+ATOM     15  CA  LYS     8      -1.533 -11.514  -4.342          0.000
+ATOM     16  CB  LYS     8      -1.076 -11.760  -1.855          0.000
+ATOM     17  CA  ASP     9      -4.756 -11.687  -2.335          0.000
+ATOM     18  CB  ASP     9      -6.170 -11.737  -1.377          0.000
+ATOM     19  CA  GLY    10      -6.945 -11.722  -5.441          0.000
+ATOM     20  CA  GLY    11      -8.699 -14.672  -7.072          0.000
+ATOM     21  CA  PRO    12      -7.896 -18.338  -6.477          0.000
+ATOM     22  CB  PRO    12      -8.569 -18.825  -7.535          0.000
+ATOM     23  CA  SER    13      -4.549 -19.254  -8.026          0.000
+ATOM     24  CB  SER    13      -4.443 -20.328  -8.422          0.000
+ATOM     25  CA  SER    14      -5.679 -17.753 -11.329          0.000
+ATOM     26  CB  SER    14      -6.819 -17.629 -11.415          0.000
+ATOM     27  CA  GLY    15      -5.065 -14.246 -10.002          0.000
+ATOM     28  CA  ARG    16      -3.755 -14.911  -6.498          0.000
+ATOM     29  CB  ARG    16      -1.319 -14.110  -8.093          0.000
+ATOM     30  CA  PRO    17      -5.569 -16.202  -3.418          0.000
+ATOM     31  CB  PRO    17      -4.565 -15.583  -2.772          0.000
+ATOM     32  CA  PRO    18      -8.973 -14.818  -2.449          0.000
+ATOM     33  CB  PRO    18      -9.425 -15.848  -3.187          0.000
+ATOM     34  CA  PRO    19      -9.860 -14.552   1.236          0.000
+ATOM     35  CB  PRO    19     -10.227 -13.300   0.908          0.000
+ATOM     36  CA  SER    20     -12.579 -17.194   0.981          0.000
+ATOM     37  CB  SER    20     -13.220 -17.176   0.026          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