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  28 
 ** Unrecognized atom type [ SE ] in residue MET A  64 
 ** Unrecognized atom type [ SE ] in residue MET A 117 
 ** Unrecognized atom type [ SE ] in residue MET A 154 
 ** Unrecognized atom type [ O2 ] in residue SER A 158 
 Average value of CA-N-C-CB angle is  35.00
 Standard deviation is                 0.97
 * 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 =  1155
           old number =     0
 * PHE A  62  PHE A  73  GLU A  78  GLU A  82  GLU A 157                           
 Total number of residues that need to be changed and total number of residues:
     ALA     0    13
     CYS     0     1
     ASP     0     7
     GLU     3    14
     PHE     2     8
     GLY     0    18
     HIS     0     2
     ILE     0     5
     LYS     0     4
     LEU     0    17
     MET     0     4
     ASN     0     2
     PRO     0    10
     GLN     0     5
     ARG     0     5
     SER     0    12
     THR     0     8
     VAL     0    10
     TRP     0     1
     TYR     0     7

 * NMR ensemble comprises 1 model structures
 * Program completed