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  11 
 ** Unrecognized atom type [ SE ] in residue MET A  33 
 ** Unrecognized atom type [ SE ] in residue MET A  48 
 Average value of CA-N-C-CB angle is  34.31
 Standard deviation is                 1.34
 * 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 =   588
           old number =     0
 * TYR A  57  TYR A  58  TYR A  73                                                 
 Total number of residues that need to be changed and total number of residues:
     ALA     0     5
     CYS     0     2
     ASP     0     2
     GLU     0     3
     PHE     0     2
     GLY     0     1
     HIS     0     5
     ILE     0     2
     LYS     0     7
     LEU     0     6
     MET     0     3
     ASN     0     4
     PRO     0     3
     GLN     0     4
     ARG     0     2
     SER     0    10
     THR     0     4
     VAL     0     3
     TRP     0     2
     TYR     3     3

 * NMR ensemble comprises 1 model structures
 * Program completed