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   54 (M  55 ) and   55 (M  58 )
 Chain break between  120 (M 123 ) and  121 (M 134 )
 Average value of CA-N-C-CB angle is  34.52
 Standard deviation is                 0.73
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * GLU M  16  TYR M 142  GLU M 143  GLU M 180  PHE M 197  GLU M 209  GLU M 232     
 WARNING: Number of atoms/hetatms in new file differs from old file - 
           new number =  1913
           old number =     0
 Total number of residues that need to be changed and total number of residues:
     ALA     0    18
     CYS     0     2
     ASP     0     4
     GLU     5    36
     PHE     1     8
     GLY     0     6
     HIS     0     5
     ILE     0    14
     LYS     0    31
     LEU     0    30
     ASN     0    19
     PRO     0     2
     GLN     0     2
     ARG     0     6
     SER     0    19
     THR     0     8
     VAL     0    18
     TRP     0     6
     TYR     1     8

 * NMR ensemble comprises 1 model structures
 * Program completed