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   40 (M  78 ) and   41 (M  80 )
 Chain break between   61 (M 100 ) and   62 (M 102 )
 Chain break between   85 (M 125 ) and   86 (M 136 )
 Chain break between  124 (M 174 ) and  125 (M 176 )
 Chain break between  145 (M 196 ) and  146 (M 198 )
 Chain break between  170 (M 222 ) and  171 (M 233 )
 Chain break between  209 (M 271 ) and  210 (M 273 )
 Chain break between  230 (M 293 ) and  231 (M 295 )
 Average value of CA-N-C-CB angle is  34.36
 Standard deviation is                 1.47
 * 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 =  2010
           old number =     0
 * GLU M 186                                                                       
 Total number of residues that need to be changed and total number of residues:
     ALA     0     9
     CYS     0     3
     ASP     0    15
     GLU     1    21
     PHE     0     6
     GLY     0    28
     HIS     0     6
     ILE     0    27
     LYS     0    30
     LEU     0     9
     ASN     0    12
     PRO     0     9
     GLN     0    14
     ARG     0     9
     SER     0    12
     THR     0    12
     VAL     0    27
     TRP     0     3
     TYR     0     3

 * NMR ensemble comprises 1 model structures
 * Program completed