CLEAN - Clean-up program
------------------------
 


 Clean-up program CLEAN - Written by David Keith Smith, 1989.
                          Amended by Roman Laskowski, 1992.


 Enter filename containing coordinates of structure
   (for file containing ensemble of NMR structures enter @filename;
    for set of separate PDB files to be processed, enter %filelist,
    where filelist contains a list of PDB files to be cleaned up)

    Processing NMR model 1
 Chain break between   57 (M  57 ) and   58 (M  68 )
 Average value of CA-N-C-CB angle is  35.04
 Standard deviation is                 0.89
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 WARNING: Number of atoms/hetatms in new file differs from old file - 
           new number =   894
           old number =     0
 * ARG M   9  PHE M  20  PHE M  86                                                 
 Total number of residues that need to be changed and total number of residues:
     ALA     0     8
     ASP     0     8
     GLU     0     8
     PHE     2     8
     GLY     0     8
     ILE     0     2
     LYS     0     6
     LEU     0    10
     MET     0     1
     ASN     0     6
     PRO     0     3
     GLN     0     2
     ARG     1     8
     SER     0     4
     THR     0     8
     VAL     0    16
     TRP     0     2
     TYR     0     4

 * NMR ensemble comprises 1 model structures
 * Program completed