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   12 (A  22 ) and   13 (A  24 )
 Chain break between   21 (A  32 ) and   22 (A  34 )
 Chain break between   86 (A  98 ) and   87 (A 100 )
 Average value of CA-N-C-CB angle is  34.41
 Standard deviation is                 1.14
 * 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 =   754
           old number =     0
 * PHE A  19                                                                       
 Total number of residues that need to be changed and total number of residues:
     ALA     0     8
     ASP     0     3
     GLU     0    11
     PHE     1     3
     GLY     0     8
     HIS     0     3
     ILE     0     5
     LYS     0     8
     LEU     0     8
     ASN     0     4
     PRO     0     5
     GLN     0     3
     ARG     0     2
     SER     0     7
     THR     0     5
     VAL     0     9
     TRP     0     2
     TYR     0     3

 * NMR ensemble comprises 1 model structures
 * Program completed