cram l1 ec3

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  regularized crystal structure
                             confs
res  aa          phi   psi   ec3  6
___ ___ ______ ____________ ____ __
 17 ARG  1 2 1  -86.8 -11.0   B
 18 LEU  1 2 0  -59.5 -50.2   A
 19 PRO  1 0 0  -75.0 -10.3   A  B
 20 GLY  1 0 0  104.2  18.6   B* A*
 21 THR  1 2 0  -54.3 141.9   F
 22 PRO  1 0 0  -75.0 153.7   F
 23 GLU  1 2 0  -56.6 -37.2   A
 24 ALA  1 1 0  -64.2 -37.5   A
 25 ILE  1 2 0  -74.3 -38.6   A

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  global energy minimization

      Ftot      bb conf           Fvac    Fsol     Fh     rmsd
 __ _______  __________________ _______ _______ _______ _______
N 1 -526.44  A A B A*F F A A A  -410.39 -105.06  -10.98     .52
  2 -513.85  B A F C F F A A A  -404.22 -100.69   -9.43     .86
  3 -505.54  B A B B*F F A A A  -396.88  -98.35  -10.30     .56
  7 -498.38  B A X C G X A A A  -387.56 -103.54   -8.77    2.19
  6 -496.99  C A F X D X X A A  -378.80 -111.20   -8.98    2.11
  4 -494.79  B A B A*X F X A A  -392.78  -94.18   -8.83    2.17
  5 -494.41  C A A C*A X A A A  -395.47  -91.62   -8.81    2.00
  9 -488.33  B A B B*D C E A A  -371.09 -108.71   -9.02    2.44
  8 -487.76  X F F B*F F A A A  -389.95  -89.93   -8.37    1.82
 10 -457.41  B X F A*C B C*A A  -333.22 -115.92   -9.75    1.93

     Fvac     Fr     Fe     Fs     Ft     Fh
 __ ______ ______ ______ ______ ______ ______
  1 -410.3   63.9 -410.9     .0  -52.5  -10.9
  2 -404.2   60.5 -403.9     .0  -51.5   -9.4
  3 -396.8   65.5 -396.8     .0  -55.3  -10.3
  7 -387.5   74.3 -402.7     .0  -50.5   -8.7
  6 -378.8   74.9 -385.5     .0  -59.2   -8.9
  4 -392.7   68.9 -396.3     .0  -56.5   -8.8
  5 -395.4   83.0 -408.3     .0  -61.3   -8.8
  9 -371.0   87.5 -379.4     .0  -70.2   -9.0
  8 -389.9   65.2 -401.2     .0  -45.6   -8.3
 10 -333.2   74.6 -355.0     .0  -43.0   -9.7


  Ftot=( Fvac +Fsol +Fh)
  Fvac=( Fr +Fe +Fs +Ft +Fc +Fh)

  Fr  repulsion +dispersion component
  Fe  electrostatic component
  Fs  disulfide bond component
  Ft  intrinsic torsional component
  Fc  harmonic distance constraints
  Fh  hydrophobic component (counted twice)

  Fvac  vacuum potential energy
  Fsol  energy of interaction with dielectric medium

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