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 114 
 ** Unrecognized atom type [ SE ] in residue MET A 121 
 ** Unrecognized atom type [ SE ] in residue MET A 134 
 Chain break between   58 (A  64 ) and   59 (A  88 )
 Average value of CA-N-C-CB angle is  34.92
 Standard deviation is                 1.26
 * 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 =   849
           old number =     0
 * GLU A  23  PHE A  35  ASP A  51                                                 
 Total number of residues that need to be changed and total number of residues:
     ALA     0    20
     ASP     1     4
     GLU     1     6
     PHE     1     2
     GLY     0    10
     HIS     0     2
     ILE     0     4
     LEU     0    13
     MET     0     3
     ASN     0     3
     PRO     0     9
     GLN     0     7
     ARG     0     8
     SER     0     3
     THR     0     7
     VAL     0    13
     TRP     0     1
     TYR     0     3

 * NMR ensemble comprises 1 model structures
 * Program completed