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 [ SE ] in residue MET A   1 
 ** Unrecognized atom type [ SE ] in residue MET A  66 
 Average value of CA-N-C-CB angle is  34.71
 Standard deviation is                 0.66
 * 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 =   511
           old number =     0
 * GLU A  45  ARG A  46  GLU A  47                                                 
 Total number of residues that need to be changed and total number of residues:
     ALA     0     7
     ASP     0     4
     GLU     2     8
     PHE     0     3
     GLY     0     7
     LYS     0     3
     LEU     0     8
     MET     0     2
     ASN     0     4
     PRO     0     1
     GLN     0     1
     ARG     1     1
     SER     0     3
     THR     0     6
     VAL     0     9
     TYR     0     2

 * NMR ensemble comprises 1 model structures
 * Program completed