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
 ** Unrecognized atom type [ O2 ] in residue LEU A 115 
 Average value of CA-N-C-CB angle is  34.68
 Standard deviation is                 0.83
 * 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 =   875
           old number =     0
 * PHE A  33  GLU A  62  ASP A 102                                                 
 Total number of residues that need to be changed and total number of residues:
     ALA     0    18
     ASP     1     9
     GLU     1    10
     PHE     1     4
     GLY     0    10
     HIS     0     3
     ILE     0     3
     LYS     0     4
     LEU     0    17
     ASN     0     1
     PRO     0     4
     GLN     0     5
     ARG     0     7
     SER     0     5
     THR     0     3
     VAL     0     6
     TRP     0     3
     TYR     0     2

 * NMR ensemble comprises 1 model structures
 * Program completed