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 [ O2 ] in residue LEU A  96 
 Chain break between    7 (A   7 ) and    8 (A   9 )
 Chain break between   28 (A  29 ) and   29 (A  34 )
 Chain break between   73 (A  78 ) and   74 (A  81 )
 Average value of CA-N-C-CB angle is  34.91
 Standard deviation is                 0.91
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * GLU A  18  TYR A  23  PHE A  28  PHE A  42  ASP A  46  GLU A  57  ASP A  60     
 WARNING: Number of atoms/hetatms in new file differs from old file - 
           new number =   670
           old number =     0
 * GLU A  70  ASP A  87                                                            
 Total number of residues that need to be changed and total number of residues:
     ALA     0     4
     ASP     3     5
     GLU     3     8
     PHE     2     3
     GLY     0     9
     ILE     0     8
     LYS     0    10
     LEU     0     9
     ASN     0     5
     PRO     0     2
     GLN     0     2
     ARG     0     1
     SER     0     8
     THR     0     5
     VAL     0     6
     TRP     0     1
     TYR     1     3

 * NMR ensemble comprises 1 model structures
 * Program completed