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 M   7 
 ** Unrecognized atom type [ SE ] in residue MET M  14 
 ** Unrecognized atom type [ SE ] in residue MET M  40 
 ** Unrecognized atom type [ SE ] in residue MET M  73 
 ** Unrecognized atom type [ SE ] in residue MET M  80 
 ** Unrecognized atom type [ SE ] in residue MET M 106 
 ** Unrecognized atom type [ SE ] in residue MET M 139 
 ** Unrecognized atom type [ SE ] in residue MET M 146 
 ** Unrecognized atom type [ SE ] in residue MET M 172 
 ** Unrecognized atom type [ SE ] in residue MET M 206 
 ** Unrecognized atom type [ SE ] in residue MET M 213 
 ** Unrecognized atom type [ SE ] in residue MET M 239 
 ** Unrecognized atom type [ SE ] in residue MET M 273 
 ** Unrecognized atom type [ SE ] in residue MET M 280 
 ** Unrecognized atom type [ SE ] in residue MET M 306 
 ** Unrecognized atom type [ SE ] in residue MET M 339 
 ** Unrecognized atom type [ SE ] in residue MET M 346 
 ** Unrecognized atom type [ SE ] in residue MET M 372 
 ** Unrecognized atom type [ SE ] in residue MET M 405 
 ** Unrecognized atom type [ SE ] in residue MET M 412 
 ** Unrecognized atom type [ SE ] in residue MET M 438 
 ** Unrecognized atom type [ SE ] in residue MET M 472 
 ** Unrecognized atom type [ SE ] in residue MET M 479 
 ** Unrecognized atom type [ SE ] in residue MET M 505 
 Chain break between   55 (M  57 ) and   56 (M  68 )
 Chain break between  111 (M 123 ) and  112 (M 134 )
 Chain break between  168 (M 190 ) and  169 (M 201 )
 Chain break between  225 (M 257 ) and  226 (M 268 )
 Chain break between  258 (M 300 ) and  259 (M 305 )
 Chain break between  277 (M 323 ) and  278 (M 334 )
 Chain break between  333 (M 389 ) and  334 (M 400 )
 Chain break between  390 (M 456 ) and  391 (M 467 )
 Chain break between  426 (M 502 ) and  427 (M 504 )
 Chain break between  445 (M 522 ) and  446 (M 533 )
 Average value of CA-N-C-CB angle is  34.46
 Standard deviation is                 1.08
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * ASP M   4  ASP M  11  ARG M  13  ASP M  24  ASP M  25  TYR M  32  ARG M  44     
 * GLU M  52  ASP M  77  ARG M  79  ASP M  84  GLU M  88  ASP M  90  ASP M  91     
 * ASP M  92  TYR M  98  ASP M 100  ARG M 110  ASP M 111  GLU M 118  ARG M 145     
 * ASP M 156  ASP M 157  TYR M 164  ARG M 176  ASP M 177  ASP M 178  ASP M 203     
 * ASP M 210  ARG M 212  ASP M 217  GLU M 221  ASP M 223  ASP M 224  TYR M 231     
 * ARG M 243  ASP M 244  GLU M 251  TYR M 271  ASP M 277  ARG M 279  ASP M 284     
 * GLU M 288  ASP M 290  ASP M 291  TYR M 298  ASP M 311  GLU M 318  ASP M 343     
 * ARG M 345  ASP M 350  TYR M 364  ASP M 378  GLU M 384  ASP M 402  ARG M 411     
 * ASP M 416  GLU M 420  TYR M 430  ARG M 442  ASP M 469  ARG M 478  ASP M 483     
 WARNING: Number of atoms/hetatms in new file differs from old file - 
           new number =  3534
           old number =     0
 * ASP M 490  ASP M 491  ARG M 509  ASP M 510                                      
 Total number of residues that need to be changed and total number of residues:
     ALA     0    16
     ASP    36    72
     GLU     9    24
     GLY     0    38
     HIS     0    27
     ILE     0    40
     LYS     0    16
     LEU     0    24
     MET     0    24
     ASN     0    14
     PRO     0     8
     GLN     0    30
     ARG    14    24
     SER     0    31
     THR     0    24
     VAL     0    24
     TYR     8    16

 * NMR ensemble comprises 1 model structures
 * Program completed