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  15 
 ** Unrecognized atom type [ SE ] in residue MET A  26 
 ** Unrecognized atom type [ SE ] in residue MET A  58 
 Average value of CA-N-C-CB angle is  34.72
 Standard deviation is                 0.86
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * GLU A  24  TYR A  31  ASP A  35  GLU A  49  PHE A  60  GLU A  66  GLU A  79     
 WARNING: Number of atoms/hetatms in new file differs from old file - 
           new number =   654
           old number =     0
 * GLU A  83                                                                       
 Total number of residues that need to be changed and total number of residues:
     ALA     0     3
     ASP     1     7
     GLU     5     8
     PHE     1     4
     GLY     0     2
     HIS     0     2
     ILE     0     8
     LYS     0     7
     LEU     0     3
     MET     0     4
     ASN     0     5
     PRO     0     3
     GLN     0     1
     ARG     0     1
     SER     0     8
     THR     0     7
     VAL     0     8
     TRP     0     1
     TYR     1     1

 * NMR ensemble comprises 1 model structures
 * Program completed