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   53 (A  54 ) and   54 (A  56 )
 Average value of CA-N-C-CB angle is  34.80
 Standard deviation is                 1.00
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * TYR A   6  GLU A  41  TYR A  44  ARG A  52  GLU A  58  ASP A  60  PHE A  63     
 WARNING: Number of atoms/hetatms in new file differs from old file - 
           new number =   581
           old number =     0
 Total number of residues that need to be changed and total number of residues:
     ALA     0    14
     CYS     0     2
     ASP     1    10
     GLU     2     3
     PHE     1     4
     GLY     0     3
     HIS     0     1
     ILE     0     1
     LEU     0    10
     PRO     0     5
     GLN     0     3
     ARG     1     7
     SER     0     2
     THR     0     1
     VAL     0     4
     TRP     0     2
     TYR     2     2

 * NMR ensemble comprises 1 model structures
 * Program completed