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   16 (M 668 ) and   17 (M 670 )
 Chain break between   47 (M 700 ) and   48 (M 702 )
 Chain break between   59 (M 713 ) and   60 (M 715 )
 Chain break between   76 (M 731 ) and   77 (M 742 )
 Chain break between   92 (M 757 ) and   93 (M 759 )
 Chain break between  123 (M 789 ) and  124 (M 791 )
 Chain break between  135 (M 802 ) and  136 (M 804 )
 Average value of CA-N-C-CB angle is  34.78
 Standard deviation is                 1.05
 * 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 =  1206
           old number =     0
 * PHE M 655  GLU M 727  PHE M 744                                                 
 Total number of residues that need to be changed and total number of residues:
     ALA     0     4
     CYS     0     2
     ASP     0    12
     GLU     1     4
     PHE     2    10
     GLY     0    12
     ILE     0    16
     LYS     0    14
     LEU     0    14
     ASN     0    13
     GLN     0     4
     ARG     0     8
     SER     0     3
     THR     0    20
     VAL     0    14

 * NMR ensemble comprises 1 model structures
 * Program completed