CLUSTERING
 1. reading files...
 2. building rmsd matrix for 235 structures...
 3. clustering ...
 4. storing clustering data ...

WARNING: no input file for residue propensities
 1. reading files...
 2. getting occurancies...
 3. getting electrostatic energy...
 4. calculating backbone rmsds...
 No  ClSize ClFSize    Repr  ReprElE   ClAELE   ClAElD  RepRMSD  CLFRMSD
  1     125   18485     115  -15.660  -16.177    0.000  150.801  150.352
  2      57    7953      63  -16.990  -15.223    0.000  150.075  150.514
  3      48    5332     105  -15.960  -14.006    0.000  148.599  149.175
Number of initial structures in clust.dat (_n) 235

Minimum energy -20.5

Clust 2 has good orientation, few cluster strong criteria
make figure

dist K211 to L23:  19.5 A
dist all to L23: 16 A

dist All C map to all C L17,  8A

exit channel
dist All C map to L24: 12 A

L32 is about PDF binding
dist All C 8.5
L22 a bit further 15A



