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
 Chain break between   18 (A  18 ) and   19 (A  20 )
 Chain break between   32 (A  33 ) and   33 (A  35 )
 Chain break between   48 (A  50 ) and   49 (A  52 )
 Chain break between   64 (A  67 ) and   65 (A  69 )
 Chain break between   69 (A  73 ) and   70 (A  75 )
 Average value of CA-N-C-CB angle is  34.63
 Standard deviation is                 0.80
 * 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 =   536
           old number =     0
 * GLU A   5  TYR A  52  PHE A  66  GLU A  67                                      
 Total number of residues that need to be changed and total number of residues:
     ALA     0     8
     CYS     0     1
     ASP     0     2
     GLU     2     8
     PHE     1     1
     GLY     0     5
     HIS     0     2
     ILE     0     4
     LYS     0     5
     LEU     0     6
     ASN     0     3
     PRO     0     4
     GLN     0     2
     ARG     0     7
     SER     0     2
     THR     0     3
     VAL     0     6
     TYR     1     1

 * NMR ensemble comprises 1 model structures
 * Program completed