*HEADER    RNA BINDING PROTEIN                     17-JAN-13   2M3F                 
*TITLE     NMR STRUCTURE OF RSA1P238-259 FROM S. CEREVISIAE                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RIBOSOME ASSEMBLY 1 PROTEIN;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 238-259;                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   4 ORGANISM_COMMON: BAKER'S YEAST;                                      
*SOURCE   5 ORGANISM_TAXID: 559292;                                              
*SOURCE   6 OTHER_DETAILS: STRAIN-ATCC 204508/S288C, GENE-RSA1, YPL193W          
*KEYWDS    HELIX, RNA BINDING PROTEIN                                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    M.QUINTERNET, X.MANIVAL                                               
*REVDAT   1   27-NOV-13 2M3F    0                                                


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assign (resid    6 and name HA   ) (resid    7 and name HN   )    3.52    3.52    0.00
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assign (resid    3 and name HA   ) (resid    5 and name HN   )    4.72    4.72    0.00
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assign (resid   14 and name HA   ) (resid   18 and name HN   )    5.21    5.21    0.00
assign (resid    2 and name HN   ) (resid    2 and name HB2  )    3.90    3.90    0.00
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assign (resid    2 and name HB1  ) (resid    3 and name HN   )    4.16    4.16    0.00
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assign (resid    1 and name HG2* ) (resid    2 and name HN   )    4.31    4.31    0.00
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assign (resid    3 and name HN   ) (resid    3 and name HB2  )    3.59    3.59    0.00
assign (resid    3 and name HN   ) (resid    3 and name HB1  )    3.59    3.59    0.00
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assign (resid    9 and name HN   ) (resid   12 and name HD*  )    5.50    5.50    0.00
assign (resid   12 and name HN   ) (resid   12 and name HD*  )    4.13    4.13    0.00
assign (resid    7 and name HN   ) (resid    7 and name HE*  )    5.50    5.50    0.00
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assign (resid   13 and name HN   ) (resid   13 and name HE*  )    5.50    5.50    0.00
assign (resid    4 and name HB*  ) (resid    5 and name HN   )    3.37    3.37    0.00
assign (resid   20 and name HN   ) (resid   22 and name HB*  )    5.50    5.50    0.00
assign (resid   15 and name HN   ) (resid   15 and name HG1  )    3.82    3.82    0.00
assign (resid   15 and name HG1  ) (resid   16 and name HN   )    4.99    4.99    0.00
assign (resid   15 and name HG2  ) (resid   16 and name HN   )    4.99    4.99    0.00
assign (resid   10 and name HN   ) (resid   10 and name HG2  )    3.40    3.40    0.00
assign (resid   15 and name HN   ) (resid   15 and name HG2  )    3.82    3.82    0.00
assign (resid   10 and name HN   ) (resid   10 and name HG1  )    3.91    3.91    0.00
assign (resid   10 and name HG1  ) (resid   11 and name HN   )    3.60    3.60    0.00
assign (resid   10 and name HG2  ) (resid   11 and name HN   )    3.56    3.56    0.00
assign (resid    3 and name HG*  ) (resid    4 and name HN   )    4.51    4.51    0.00
assign (resid    4 and name HN   ) (resid    4 and name HB*  )    2.88    2.88    0.00
assign (resid    3 and name HB2  ) (resid    4 and name HN   )    4.14    4.14    0.00
assign (resid    3 and name HB1  ) (resid    4 and name HN   )    4.14    4.14    0.00
assign (resid   11 and name HN   ) (resid   11 and name HB*  )    2.77    2.77    0.00
assign (resid    5 and name HB   ) (resid    6 and name HN   )    3.56    3.56    0.00
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assign (resid   15 and name HN   ) (resid   15 and name HB*  )    2.90    2.90    0.00
assign (resid    8 and name HN   ) (resid   11 and name HB*  )    4.51    4.51    0.00
assign (resid    5 and name HB   ) (resid    7 and name HN   )    5.07    5.07    0.00
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assign (resid   15 and name HB*  ) (resid   17 and name HN   )    4.89    4.89    0.00
assign (resid   13 and name HN   ) (resid   13 and name HB1  )    3.39    3.39    0.00
assign (resid   12 and name HB1  ) (resid   13 and name HN   )    3.84    3.84    0.00
assign (resid   12 and name HB2  ) (resid   13 and name HN   )    3.77    3.77    0.00
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assign (resid    7 and name HB*  ) (resid    8 and name HN   )    3.09    3.09    0.00
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assign (resid   12 and name HN   ) (resid   12 and name HB2  )    3.05    3.05    0.00
assign (resid    9 and name HN   ) (resid    9 and name HB*  )    2.96    2.96    0.00
assign (resid   20 and name HB   ) (resid   21 and name HN   )    4.15    4.15    0.00
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assign (resid   11 and name HN   ) (resid   12 and name HG*  )    4.95    4.95    0.00
assign (resid   12 and name HN   ) (resid   12 and name HG*  )    3.40    3.40    0.00
assign (resid   18 and name HB1  ) (resid   19 and name HN   )    3.95    3.95    0.00
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assign (resid   17 and name HN   ) (resid   17 and name HG   )    3.04    3.04    0.00
assign (resid   17 and name HN   ) (resid   17 and name HB2  )    3.15    3.15    0.00
assign (resid   17 and name HB1  ) (resid   18 and name HN   )    3.75    3.75    0.00
assign (resid   18 and name HN   ) (resid   18 and name HB2  )    3.13    3.13    0.00
assign (resid    1 and name HG2* ) (resid    4 and name HN   )    5.23    5.23    0.00
assign (resid   20 and name HG2* ) (resid   21 and name HN   )    3.96    3.96    0.00
assign (resid    5 and name HG1* ) (resid    9 and name HN   )    4.76    4.76    0.00
assign (resid    5 and name HG2* ) (resid    9 and name HN   )    5.45    5.45    0.00
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assign (resid    5 and name HG2* ) (resid    6 and name HN   )    4.05    4.05    0.00
assign (resid    6 and name HN   ) (resid    6 and name HG2  )    4.53    4.53    0.00
assign (resid   20 and name HN   ) (resid   20 and name HG12 )    3.86    3.86    0.00
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assign (resid   20 and name HN   ) (resid   20 and name HG11 )    3.86    3.86    0.00
assign (resid   15 and name HN   ) (resid   18 and name HD1* )    5.23    5.23    0.00
assign (resid   20 and name HN   ) (resid   20 and name HD1* )    4.62    4.62    0.00
assign (resid    5 and name HG1* ) (resid    7 and name HN   )    4.52    4.52    0.00
assign (resid   18 and name HD2* ) (resid   19 and name HN   )    4.99    4.99    0.00
assign (resid    5 and name HG2* ) (resid    7 and name HN   )    5.50    5.50    0.00
assign (resid    5 and name HN   ) (resid    5 and name HG2* )    2.97    2.97    0.00
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assign (resid   17 and name HN   ) (resid   18 and name HD1* )    4.62    4.62    0.00
assign (resid   17 and name HN   ) (resid   17 and name HD1* )    3.95    3.95    0.00
assign (resid   18 and name HN   ) (resid   18 and name HD1* )    4.04    4.04    0.00
assign (resid   18 and name HN   ) (resid   18 and name HD2* )    4.20    4.20    0.00
assign (resid   16 and name HZ2  ) (resid   20 and name HD1* )    5.50    5.50    0.00
assign (resid   16 and name HZ2  ) (resid   17 and name HD1* )    4.72    4.72    0.00
assign (resid   16 and name HZ3  ) (resid   20 and name HG2* )    4.31    4.31    0.00
assign (resid   16 and name HZ3  ) (resid   17 and name HD2* )    5.16    5.16    0.00
assign (resid    5 and name HG1* ) (resid    9 and name HE   )    4.32    4.32    0.00
assign (resid    5 and name HG1* ) (resid    8 and name HD1  )    4.78    4.78    0.00
assign (resid    5 and name HG2* ) (resid    8 and name HD1  )    4.75    4.75    0.00
assign (resid    5 and name HG1* ) (resid    8 and name HZ3  )    5.50    5.50    0.00
assign (resid   16 and name HE3  ) (resid   17 and name HG   )    4.33    4.33    0.00
assign (resid    8 and name HE3  ) (resid    9 and name HG2  )    4.97    4.97    0.00
assign (resid    8 and name HE3  ) (resid   12 and name HB2  )    4.13    4.13    0.00
assign (resid    8 and name HE3  ) (resid    9 and name HB*  )    4.96    4.96    0.00
assign (resid    8 and name HE3  ) (resid   11 and name HB*  )    4.58    4.58    0.00
assign (resid    8 and name HZ2  ) (resid    9 and name HG1  )    5.13    5.13    0.00
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assign (resid   13 and name HD*  ) (resid   16 and name HD1  )    4.75    4.75    0.00
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assign (resid   12 and name HG*  ) (resid   12 and name HE   )    3.88    3.88    0.00
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assign (resid   20 and name HG2* ) (resid   21 and name HB*  )    4.83    4.83    0.00
assign (resid    8 and name HB2  ) (resid   12 and name HD*  )    5.04    5.04    0.00
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assign (resid    7 and name HB*  ) (resid    8 and name HB1  )    4.72    4.72    0.00
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assign (resid    5 and name HG1* ) (resid    6 and name HE*  )    5.50    5.50    0.00
assign (resid    1 and name HG2* ) (resid    4 and name HB*  )    5.50    5.50    0.00
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assign (resid    6 and name HB*  ) (resid    6 and name HE*  )    3.83    3.83    0.00
assign (resid    9 and name HB*  ) (resid   10 and name HG2  )    4.75    4.75    0.00
assign (resid    3 and name HG*  ) (resid    6 and name HD*  )    5.12    5.12    0.00
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assign (resid    3 and name HG*  ) (resid    6 and name HE*  )    5.50    5.50    0.00
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assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -64.8   10.0 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -64.3   10.0 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -67.4   10.0 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -67.7   10.0 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -68.7   30.0 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0  -67.8   30.0 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0  -69.9   40.0 2
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0  -66.3   40.0 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  -39.0   11.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  -43.3   11.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  -40.6   11.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  -41.8   11.0 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  -45.3   11.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  -45.8   11.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  -42.3   11.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  -43.5   11.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  -41.5   11.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -45.0   11.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -41.5   11.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -41.4   11.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  -40.9   11.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  -39.0   11.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  -39.9   11.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  -42.2   11.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  -41.6   32.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  -11.8   32.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  -43.9   42.0 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0  -41.8   42.0 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   THR   1           1HT      THR   1 -11.860  -9.737  -3.295
    2    H2   THR   1           2HT      THR   1 -12.644 -11.047  -2.576
    3    H3   THR   1           3HT      THR   1 -11.203 -10.457  -1.912
    4    HA   THR   1           HA       THR   1 -13.810  -9.057  -2.026
    5    HB   THR   1           HB       THR   1 -13.746  -9.139   0.414
    6    HG1  THR   1           1HG      THR   1 -11.312 -10.585   0.028
    7   HG21  THR   1          1HG2      THR   1 -14.823 -11.003  -0.796
    8   HG22  THR   1          2HG2      THR   1 -14.160 -11.501   0.760
    9   HG23  THR   1          3HG2      THR   1 -13.304 -11.892  -0.729
   10    H    ASP   2           H        ASP   2 -13.685  -7.124  -0.401
   11    HA   ASP   2           HA       ASP   2 -11.804  -5.272  -1.366
   12    HB2  ASP   2           2HB      ASP   2 -13.904  -4.511  -0.407
   13    HB3  ASP   2           1HB      ASP   2 -13.472  -5.190   1.160
   14    H    GLU   3           H        GLU   3 -11.838  -7.335   1.474
   15    HA   GLU   3           HA       GLU   3  -9.663  -6.238   2.847
   16    HB2  GLU   3           2HB      GLU   3 -10.729  -9.060   2.767
   17    HB3  GLU   3           1HB      GLU   3  -9.489  -8.516   3.889
   18    HG2  GLU   3           2HG      GLU   3 -12.269  -7.379   3.701
   19    HG3  GLU   3           1HG      GLU   3 -11.727  -8.562   4.891
   20    H    ASP   4           H        ASP   4  -9.798  -8.593   0.226
   21    HA   ASP   4           HA       ASP   4  -7.058  -9.336   0.315
   22    HB2  ASP   4           2HB      ASP   4  -8.950  -9.357  -2.049
   23    HB3  ASP   4           1HB      ASP   4  -7.400 -10.185  -1.973
   24    H    VAL   5           H        VAL   5  -8.849  -6.841  -1.375
   25    HA   VAL   5           HA       VAL   5  -6.616  -5.890  -2.879
   26    HB   VAL   5           HB       VAL   5  -9.309  -4.660  -2.296
   27   HG11  VAL   5          2HG1      VAL   5  -8.785  -3.083  -4.116
   28   HG12  VAL   5          3HG1      VAL   5  -7.138  -3.713  -4.166
   29   HG13  VAL   5          1HG1      VAL   5  -7.720  -2.885  -2.723
   30   HG21  VAL   5          1HG2      VAL   5  -9.679  -5.240  -4.696
   31   HG22  VAL   5          2HG2      VAL   5  -9.471  -6.631  -3.632
   32   HG23  VAL   5          3HG2      VAL   5  -8.138  -6.102  -4.662
   33    H    LYS   6           H        LYS   6  -8.293  -4.832   0.036
   34    HA   LYS   6           HA       LYS   6  -6.913  -2.550   0.676
   35    HB2  LYS   6           2HB      LYS   6  -8.847  -3.362   1.898
   36    HB3  LYS   6           1HB      LYS   6  -7.945  -4.757   2.462
   37    HG2  LYS   6           2HG      LYS   6  -6.482  -3.298   3.743
   38    HG3  LYS   6           1HG      LYS   6  -7.389  -1.897   3.173
   39    HD2  LYS   6           2HD      LYS   6  -8.565  -4.178   4.756
   40    HD3  LYS   6           1HD      LYS   6  -8.060  -2.634   5.444
   41    HE2  LYS   6           2HE      LYS   6  -9.697  -1.454   4.141
   42    HE3  LYS   6           1HE      LYS   6 -10.122  -2.922   3.263
   43    HZ1  LYS   6           2HZ      LYS   6 -10.515  -2.502   6.174
   44    HZ2  LYS   6           3HZ      LYS   6 -10.971  -3.879   5.289
   45    HZ3  LYS   6           1HZ      LYS   6 -11.723  -2.388   4.998
   46    H    LYS   7           H        LYS   7  -5.969  -5.884   0.975
   47    HA   LYS   7           HA       LYS   7  -3.767  -5.614   2.678
   48    HB2  LYS   7           2HB      LYS   7  -4.784  -7.773   2.114
   49    HB3  LYS   7           1HB      LYS   7  -4.224  -7.611   0.456
   50    HG2  LYS   7           2HG      LYS   7  -1.925  -7.742   1.174
   51    HG3  LYS   7           1HG      LYS   7  -2.426  -7.780   2.865
   52    HD2  LYS   7           2HD      LYS   7  -3.208  -9.852   0.819
   53    HD3  LYS   7           1HD      LYS   7  -1.839 -10.016   1.921
   54    HE2  LYS   7           2HE      LYS   7  -3.385  -9.796   3.832
   55    HE3  LYS   7           1HE      LYS   7  -4.737  -9.706   2.705
   56    HZ1  LYS   7           2HZ      LYS   7  -2.890 -12.013   2.982
   57    HZ2  LYS   7           3HZ      LYS   7  -4.215 -11.924   1.936
   58    HZ3  LYS   7           1HZ      LYS   7  -4.457 -11.932   3.609
   59    H    TRP   8           H        TRP   8  -3.810  -5.809  -0.899
   60    HA   TRP   8           HA       TRP   8  -1.031  -5.175  -1.049
   61    HB2  TRP   8           2HB      TRP   8  -1.211  -5.349  -3.389
   62    HB3  TRP   8           1HB      TRP   8  -2.330  -6.542  -2.753
   63    HD1  TRP   8           HD       TRP   8  -4.775  -6.396  -3.501
   64    HE1  TRP   8           1HE      TRP   8  -6.094  -4.876  -5.108
   65    HE3  TRP   8           3HE      TRP   8  -1.305  -2.736  -4.140
   66    HZ2  TRP   8           2HZ      TRP   8  -5.702  -2.433  -6.450
   67    HZ3  TRP   8           3HZ      TRP   8  -1.849  -0.832  -5.604
   68    HH2  TRP   8           HH       TRP   8  -4.006  -0.684  -6.734
   69    H    ARG   9           H        ARG   9  -3.987  -3.332  -1.217
   70    HA   ARG   9           HA       ARG   9  -3.074  -1.068  -2.475
   71    HB2  ARG   9           2HB      ARG   9  -5.224  -1.541  -0.472
   72    HB3  ARG   9           1HB      ARG   9  -4.810   0.114  -0.898
   73    HG2  ARG   9           2HG      ARG   9  -5.146  -0.574  -3.307
   74    HG3  ARG   9           1HG      ARG   9  -5.863  -2.057  -2.675
   75    HD2  ARG   9           2HD      ARG   9  -6.789   0.759  -2.135
   76    HD3  ARG   9           1HD      ARG   9  -7.585  -0.420  -3.171
   77    HE   ARG   9           HE       ARG   9  -7.254  -0.895  -0.283
   78   HH11  ARG   9          1HH1      ARG   9  -9.306  -0.543  -3.097
   79   HH12  ARG   9          2HH1      ARG   9 -10.722  -1.151  -2.304
   80   HH21  ARG   9          1HH2      ARG   9  -9.134  -1.660   0.781
   81   HH22  ARG   9          2HH2      ARG   9 -10.631  -1.798  -0.095
   82    H    GLU  10           H        GLU  10  -3.176  -1.644   1.028
   83    HA   GLU  10           HA       GLU  10  -1.755   0.750   1.615
   84    HB2  GLU  10           2HB      GLU  10  -1.655  -0.103   3.899
   85    HB3  GLU  10           1HB      GLU  10  -3.268  -0.252   3.219
   86    HG2  GLU  10           2HG      GLU  10  -2.886  -2.615   2.797
   87    HG3  GLU  10           1HG      GLU  10  -1.260  -2.475   3.465
   88    H    GLU  11           H        GLU  11  -0.848  -2.503   0.882
   89    HA   GLU  11           HA       GLU  11   1.772  -2.557   1.886
   90    HB2  GLU  11           2HB      GLU  11   0.617  -4.559   1.084
   91    HB3  GLU  11           1HB      GLU  11   0.592  -3.911  -0.548
   92    HG2  GLU  11           2HG      GLU  11   3.057  -3.991  -0.580
   93    HG3  GLU  11           1HG      GLU  11   3.025  -4.733   1.020
   94    H    ARG  12           H        ARG  12   0.633  -1.863  -1.417
   95    HA   ARG  12           HA       ARG  12   3.154  -0.909  -2.320
   96    HB2  ARG  12           2HB      ARG  12   0.366  -0.629  -3.446
   97    HB3  ARG  12           1HB      ARG  12   1.802  -0.023  -4.263
   98    HG2  ARG  12           2HG      ARG  12   2.711  -2.295  -4.339
   99    HG3  ARG  12           1HG      ARG  12   1.259  -2.894  -3.535
  100    HD2  ARG  12           2HD      ARG  12   1.090  -3.273  -5.916
  101    HD3  ARG  12           1HD      ARG  12  -0.099  -2.070  -5.418
  102    HE   ARG  12           HE       ARG  12   2.210  -0.723  -6.250
  103   HH11  ARG  12          1HH1      ARG  12  -0.312  -2.731  -7.615
  104   HH12  ARG  12          2HH1      ARG  12  -0.232  -1.987  -9.180
  105   HH21  ARG  12          1HH2      ARG  12   2.325   0.250  -8.307
  106   HH22  ARG  12          2HH2      ARG  12   1.285  -0.303  -9.583
  107    H    LYS  13           H        LYS  13   0.413   0.565  -0.783
  108    HA   LYS  13           HA       LYS  13   0.845   3.247  -1.379
  109    HB2  LYS  13           2HB      LYS  13  -1.099   2.105  -0.105
  110    HB3  LYS  13           1HB      LYS  13  -0.085   2.293   1.318
  111    HG2  LYS  13           2HG      LYS  13  -1.552   4.136   1.298
  112    HG3  LYS  13           1HG      LYS  13   0.027   4.746   0.800
  113    HD2  LYS  13           2HD      LYS  13  -0.789   4.386  -1.596
  114    HD3  LYS  13           1HD      LYS  13  -2.398   4.218  -0.891
  115    HE2  LYS  13           2HE      LYS  13  -2.053   6.436   0.203
  116    HE3  LYS  13           1HE      LYS  13  -0.562   6.592  -0.722
  117    HZ1  LYS  13           2HZ      LYS  13  -3.296   6.332  -1.849
  118    HZ2  LYS  13           3HZ      LYS  13  -1.876   6.421  -2.762
  119    HZ3  LYS  13           1HZ      LYS  13  -2.361   7.737  -1.818
  120    H    LYS  14           H        LYS  14   2.011   1.359   1.415
  121    HA   LYS  14           HA       LYS  14   3.462   3.488   2.563
  122    HB2  LYS  14           2HB      LYS  14   3.813   0.506   2.875
  123    HB3  LYS  14           1HB      LYS  14   4.544   1.723   3.913
  124    HG2  LYS  14           2HG      LYS  14   2.396   2.439   4.692
  125    HG3  LYS  14           1HG      LYS  14   1.580   1.388   3.530
  126    HD2  LYS  14           2HD      LYS  14   2.539  -0.567   4.619
  127    HD3  LYS  14           1HD      LYS  14   3.359   0.476   5.785
  128    HE2  LYS  14           2HE      LYS  14   1.121   1.344   6.464
  129    HE3  LYS  14           1HE      LYS  14   0.389   0.132   5.414
  130    HZ1  LYS  14           2HZ      LYS  14   2.075  -0.363   7.801
  131    HZ2  LYS  14           3HZ      LYS  14   1.579  -1.575   6.732
  132    HZ3  LYS  14           1HZ      LYS  14   0.430  -0.710   7.625
  133    H    MET  15           H        MET  15   4.268   1.128   0.118
  134    HA   MET  15           HA       MET  15   7.058   1.245   0.310
  135    HB2  MET  15           2HB      MET  15   5.394   0.764  -2.162
  136    HB3  MET  15           1HB      MET  15   7.103   0.391  -1.989
  137    HG2  MET  15           2HG      MET  15   4.801  -0.871  -0.532
  138    HG3  MET  15           1HG      MET  15   5.862  -1.618  -1.724
  139    HE1  MET  15           2HE      MET  15   6.659  -3.403   1.716
  140    HE2  MET  15           3HE      MET  15   6.086  -3.645   0.066
  141    HE3  MET  15           1HE      MET  15   5.102  -2.745   1.219
  142    H    TRP  16           H        TRP  16   4.819   3.163  -1.696
  143    HA   TRP  16           HA       TRP  16   7.010   4.667  -2.792
  144    HB2  TRP  16           2HB      TRP  16   5.429   5.830  -4.106
  145    HB3  TRP  16           1HB      TRP  16   4.839   4.181  -4.013
  146    HD1  TRP  16           HD       TRP  16   2.455   3.803  -2.986
  147    HE1  TRP  16           1HE      TRP  16   0.611   5.408  -2.193
  148    HE3  TRP  16           3HE      TRP  16   5.136   8.145  -2.871
  149    HZ2  TRP  16           2HZ      TRP  16   0.335   8.163  -1.595
  150    HZ3  TRP  16           3HZ      TRP  16   4.013  10.219  -2.184
  151    HH2  TRP  16           HH       TRP  16   1.663  10.220  -1.549
  152    H    LEU  17           H        LEU  17   4.739   5.032  -0.172
  153    HA   LEU  17           HA       LEU  17   5.081   7.801   0.295
  154    HB2  LEU  17           2HB      LEU  17   4.105   5.488   1.909
  155    HB3  LEU  17           1HB      LEU  17   4.405   7.018   2.712
  156    HG   LEU  17           HG       LEU  17   2.570   6.739   0.334
  157   HD11  LEU  17          2HD1      LEU  17   1.730   5.363   2.171
  158   HD12  LEU  17          3HD1      LEU  17   0.725   6.795   1.939
  159   HD13  LEU  17          1HD1      LEU  17   1.878   6.732   3.272
  160   HD21  LEU  17          1HD2      LEU  17   1.710   8.896   1.151
  161   HD22  LEU  17          2HD2      LEU  17   3.417   8.984   0.721
  162   HD23  LEU  17          3HD2      LEU  17   2.940   8.894   2.416
  163    H    LEU  18           H        LEU  18   6.673   4.932   1.607
  164    HA   LEU  18           HA       LEU  18   8.441   6.401   3.296
  165    HB2  LEU  18           2HB      LEU  18   8.214   3.572   2.378
  166    HB3  LEU  18           1HB      LEU  18   9.725   4.097   3.091
  167    HG   LEU  18           HG       LEU  18   8.640   4.623   5.178
  168   HD11  LEU  18          2HD1      LEU  18   6.523   5.485   4.318
  169   HD12  LEU  18          3HD1      LEU  18   6.259   4.251   5.549
  170   HD13  LEU  18          1HD1      LEU  18   6.048   3.856   3.844
  171   HD21  LEU  18          1HD2      LEU  18   7.702   1.961   4.129
  172   HD22  LEU  18          2HD2      LEU  18   7.861   2.409   5.828
  173   HD23  LEU  18          3HD2      LEU  18   9.294   2.306   4.805
  174    H    LYS  19           H        LYS  19   8.483   5.359  -0.020
  175    HA   LYS  19           HA       LYS  19  11.219   5.722  -0.536
  176    HB2  LYS  19           2HB      LYS  19   9.640   4.441  -1.968
  177    HB3  LYS  19           1HB      LYS  19   8.877   5.955  -2.436
  178    HG2  LYS  19           2HG      LYS  19  10.451   5.097  -4.117
  179    HG3  LYS  19           1HG      LYS  19  10.894   6.695  -3.508
  180    HD2  LYS  19           2HD      LYS  19  12.479   5.611  -1.946
  181    HD3  LYS  19           1HD      LYS  19  12.089   4.053  -2.681
  182    HE2  LYS  19           2HE      LYS  19  12.962   4.745  -4.773
  183    HE3  LYS  19           1HE      LYS  19  13.113   6.411  -4.219
  184    HZ1  LYS  19           2HZ      LYS  19  14.777   5.686  -2.620
  185    HZ2  LYS  19           3HZ      LYS  19  15.251   5.306  -4.200
  186    HZ3  LYS  19           1HZ      LYS  19  14.652   4.092  -3.182
  187    H    ILE  20           H        ILE  20   8.535   7.911  -0.275
  188    HA   ILE  20           HA       ILE  20   9.528  10.156  -1.617
  189    HB   ILE  20           HB       ILE  20   7.894  10.136   0.932
  190   HG12  ILE  20          2HG1      ILE  20   6.833   8.810  -0.850
  191   HG13  ILE  20          1HG1      ILE  20   5.923  10.275  -0.500
  192   HG21  ILE  20          1HG2      ILE  20   7.109  12.335   0.213
  193   HG22  ILE  20          2HG2      ILE  20   8.192  12.268  -1.176
  194   HG23  ILE  20          3HG2      ILE  20   8.854  12.319   0.457
  195   HD11  ILE  20          2HD1      ILE  20   7.739   9.797  -2.846
  196   HD12  ILE  20          3HD1      ILE  20   6.951  11.332  -2.479
  197   HD13  ILE  20          1HD1      ILE  20   5.977   9.911  -2.863
  198    H    SER  21           H        SER  21  10.328   8.786   1.485
  199    HA   SER  21           HA       SER  21  11.957  11.110   2.185
  200    HB2  SER  21           2HB      SER  21  10.391  10.211   3.881
  201    HB3  SER  21           1HB      SER  21  11.246   8.670   3.835
  202    HG   SER  21           HG       SER  21  12.183  11.182   4.748
  203    H    ASN  22           H        ASN  22  12.329   8.263   0.534
  204    HA   ASN  22           HA       ASN  22  15.145   8.023   1.366
  205    HB2  ASN  22           2HB      ASN  22  13.337   5.857   0.266
  206    HB3  ASN  22           1HB      ASN  22  15.059   5.667   0.577
  207   HD21  ASN  22          1HD2      ASN  22  12.921   4.151   1.708
  208   HD22  ASN  22          2HD2      ASN  22  12.976   4.394   3.419
  Start of MODEL    2
    1    H1   THR   1           1HT      THR   1  -9.438 -10.457  -4.112
    2    H2   THR   1           2HT      THR   1 -10.001 -11.959  -3.591
    3    H3   THR   1           3HT      THR   1  -9.052 -11.010  -2.561
    4    HA   THR   1           HA       THR   1 -11.790 -10.416  -3.512
    5    HB   THR   1           HB       THR   1 -12.400 -10.547  -1.136
    6    HG1  THR   1           1HG      THR   1  -9.682 -11.390  -0.752
    7   HG21  THR   1          1HG2      THR   1 -10.947 -13.017  -2.079
    8   HG22  THR   1          2HG2      THR   1 -12.592 -12.560  -2.518
    9   HG23  THR   1          3HG2      THR   1 -12.205 -12.961  -0.846
   10    H    ASP   2           H        ASP   2 -12.667  -8.538  -1.965
   11    HA   ASP   2           HA       ASP   2 -11.128  -6.242  -2.585
   12    HB2  ASP   2           2HB      ASP   2 -13.613  -6.228  -2.299
   13    HB3  ASP   2           1HB      ASP   2 -13.374  -6.424  -0.564
   14    H    GLU   3           H        GLU   3 -11.388  -8.262   0.257
   15    HA   GLU   3           HA       GLU   3  -9.911  -6.639   2.028
   16    HB2  GLU   3           2HB      GLU   3 -10.131  -9.651   1.920
   17    HB3  GLU   3           1HB      GLU   3  -9.484  -8.732   3.273
   18    HG2  GLU   3           2HG      GLU   3 -12.307  -8.667   2.238
   19    HG3  GLU   3           1HG      GLU   3 -11.746  -9.391   3.742
   20    H    ASP   4           H        ASP   4  -8.951  -8.961  -0.437
   21    HA   ASP   4           HA       ASP   4  -6.156  -8.833   0.117
   22    HB2  ASP   4           2HB      ASP   4  -7.610  -9.588  -2.425
   23    HB3  ASP   4           1HB      ASP   4  -5.874  -9.747  -2.190
   24    H    VAL   5           H        VAL   5  -8.401  -6.920  -1.742
   25    HA   VAL   5           HA       VAL   5  -6.451  -5.328  -3.044
   26    HB   VAL   5           HB       VAL   5  -9.320  -4.696  -2.363
   27   HG11  VAL   5          2HG1      VAL   5  -8.046  -2.641  -2.579
   28   HG12  VAL   5          3HG1      VAL   5  -9.091  -2.856  -3.985
   29   HG13  VAL   5          1HG1      VAL   5  -7.364  -3.198  -4.107
   30   HG21  VAL   5          1HG2      VAL   5  -7.979  -5.552  -4.923
   31   HG22  VAL   5          2HG2      VAL   5  -9.678  -5.107  -4.762
   32   HG23  VAL   5          3HG2      VAL   5  -9.056  -6.533  -3.931
   33    H    LYS   6           H        LYS   6  -8.415  -4.785  -0.133
   34    HA   LYS   6           HA       LYS   6  -7.246  -2.446   0.775
   35    HB2  LYS   6           2HB      LYS   6  -8.185  -4.840   2.358
   36    HB3  LYS   6           1HB      LYS   6  -7.781  -3.288   3.072
   37    HG2  LYS   6           2HG      LYS   6  -9.572  -2.281   1.619
   38    HG3  LYS   6           1HG      LYS   6 -10.052  -3.933   1.215
   39    HD2  LYS   6           2HD      LYS   6 -10.417  -4.418   3.573
   40    HD3  LYS   6           1HD      LYS   6  -9.889  -2.793   4.003
   41    HE2  LYS   6           2HE      LYS   6 -12.226  -2.698   4.061
   42    HE3  LYS   6           1HE      LYS   6 -11.781  -1.964   2.522
   43    HZ1  LYS   6           2HZ      LYS   6 -12.548  -4.818   2.766
   44    HZ2  LYS   6           3HZ      LYS   6 -12.438  -3.881   1.353
   45    HZ3  LYS   6           1HZ      LYS   6 -13.673  -3.584   2.472
   46    H    LYS   7           H        LYS   7  -6.124  -5.727   0.889
   47    HA   LYS   7           HA       LYS   7  -3.982  -5.510   2.670
   48    HB2  LYS   7           2HB      LYS   7  -4.911  -7.631   1.890
   49    HB3  LYS   7           1HB      LYS   7  -4.335  -7.298   0.264
   50    HG2  LYS   7           2HG      LYS   7  -2.015  -7.355   1.121
   51    HG3  LYS   7           1HG      LYS   7  -2.651  -7.825   2.701
   52    HD2  LYS   7           2HD      LYS   7  -3.114  -9.347   0.138
   53    HD3  LYS   7           1HD      LYS   7  -1.887  -9.754   1.337
   54    HE2  LYS   7           2HE      LYS   7  -3.546 -10.224   2.982
   55    HE3  LYS   7           1HE      LYS   7  -4.826  -9.573   1.962
   56    HZ1  LYS   7           2HZ      LYS   7  -4.659 -11.391   0.498
   57    HZ2  LYS   7           3HZ      LYS   7  -4.646 -12.054   2.051
   58    HZ3  LYS   7           1HZ      LYS   7  -3.202 -11.924   1.183
   59    H    TRP   8           H        TRP   8  -3.897  -5.421  -0.926
   60    HA   TRP   8           HA       TRP   8  -1.141  -4.679  -0.919
   61    HB2  TRP   8           2HB      TRP   8  -1.254  -4.589  -3.277
   62    HB3  TRP   8           1HB      TRP   8  -2.295  -5.910  -2.797
   63    HD1  TRP   8           HD       TRP   8  -4.711  -5.861  -3.626
   64    HE1  TRP   8           1HE      TRP   8  -6.120  -4.271  -5.070
   65    HE3  TRP   8           3HE      TRP   8  -1.548  -1.881  -3.718
   66    HZ2  TRP   8           2HZ      TRP   8  -5.913  -1.660  -6.097
   67    HZ3  TRP   8           3HZ      TRP   8  -2.230   0.136  -4.953
   68    HH2  TRP   8           HH       TRP   8  -4.368   0.243  -6.119
   69    H    ARG   9           H        ARG   9  -4.153  -2.983  -0.938
   70    HA   ARG   9           HA       ARG   9  -3.332  -0.546  -1.940
   71    HB2  ARG   9           2HB      ARG   9  -5.533  -1.407  -0.143
   72    HB3  ARG   9           1HB      ARG   9  -5.192   0.315  -0.250
   73    HG2  ARG   9           2HG      ARG   9  -5.520   0.228  -2.668
   74    HG3  ARG   9           1HG      ARG   9  -5.855  -1.502  -2.557
   75    HD2  ARG   9           2HD      ARG   9  -7.913  -0.159  -2.684
   76    HD3  ARG   9           1HD      ARG   9  -7.798  -1.071  -1.181
   77    HE   ARG   9           HE       ARG   9  -6.732   1.398  -0.620
   78   HH11  ARG   9          1HH1      ARG   9  -9.811   0.197  -1.779
   79   HH12  ARG   9          2HH1      ARG   9 -10.725   1.485  -1.064
   80   HH21  ARG   9          1HH2      ARG   9  -7.940   3.085   0.344
   81   HH22  ARG   9          2HH2      ARG   9  -9.665   3.116   0.157
   82    H    GLU  10           H        GLU  10  -3.493  -1.596   1.435
   83    HA   GLU  10           HA       GLU  10  -2.227   0.771   2.402
   84    HB2  GLU  10           2HB      GLU  10  -2.209  -0.378   4.564
   85    HB3  GLU  10           1HB      GLU  10  -3.783  -0.459   3.788
   86    HG2  GLU  10           2HG      GLU  10  -3.368  -2.734   3.101
   87    HG3  GLU  10           1HG      GLU  10  -1.743  -2.668   3.782
   88    H    GLU  11           H        GLU  11  -1.128  -2.384   1.381
   89    HA   GLU  11           HA       GLU  11   1.451  -2.321   2.514
   90    HB2  GLU  11           2HB      GLU  11   0.547  -4.371   1.567
   91    HB3  GLU  11           1HB      GLU  11   0.475  -3.632  -0.028
   92    HG2  GLU  11           2HG      GLU  11   2.921  -3.434  -0.030
   93    HG3  GLU  11           1HG      GLU  11   2.972  -4.230   1.541
   94    H    ARG  12           H        ARG  12   0.384  -1.501  -0.778
   95    HA   ARG  12           HA       ARG  12   2.840  -0.405  -1.609
   96    HB2  ARG  12           2HB      ARG  12   0.038   0.072  -2.636
   97    HB3  ARG  12           1HB      ARG  12   1.492   0.658  -3.430
   98    HG2  ARG  12           2HG      ARG  12   2.257  -1.731  -3.557
   99    HG3  ARG  12           1HG      ARG  12   0.646  -2.195  -3.009
  100    HD2  ARG  12           2HD      ARG  12   0.733  -2.337  -5.407
  101    HD3  ARG  12           1HD      ARG  12  -0.311  -0.991  -4.952
  102    HE   ARG  12           HE       ARG  12   2.280  -0.002  -5.336
  103   HH11  ARG  12          1HH1      ARG  12  -0.331  -1.395  -7.212
  104   HH12  ARG  12          2HH1      ARG  12   0.114  -0.578  -8.673
  105   HH21  ARG  12          1HH2      ARG  12   2.873   1.070  -7.257
  106   HH22  ARG  12          2HH2      ARG  12   1.946   0.820  -8.703
  107    H    LYS  13           H        LYS  13   0.171   0.892   0.182
  108    HA   LYS  13           HA       LYS  13   0.566   3.619  -0.118
  109    HB2  LYS  13           2HB      LYS  13  -1.223   2.259   1.232
  110    HB3  LYS  13           1HB      LYS  13  -0.098   2.474   2.567
  111    HG2  LYS  13           2HG      LYS  13  -1.658   4.232   2.720
  112    HG3  LYS  13           1HG      LYS  13  -0.172   4.943   2.085
  113    HD2  LYS  13           2HD      LYS  13  -1.158   4.609  -0.222
  114    HD3  LYS  13           1HD      LYS  13  -2.682   4.235   0.584
  115    HE2  LYS  13           2HE      LYS  13  -2.565   6.438   1.713
  116    HE3  LYS  13           1HE      LYS  13  -1.115   6.797   0.774
  117    HZ1  LYS  13           2HZ      LYS  13  -3.797   6.228  -0.359
  118    HZ2  LYS  13           3HZ      LYS  13  -2.407   6.594  -1.249
  119    HZ3  LYS  13           1HZ      LYS  13  -3.091   7.755  -0.229
  120    H    LYS  14           H        LYS  14   1.980   1.468   2.374
  121    HA   LYS  14           HA       LYS  14   3.747   3.393   3.419
  122    HB2  LYS  14           2HB      LYS  14   3.739   0.392   3.417
  123    HB3  LYS  14           1HB      LYS  14   5.092   1.286   4.089
  124    HG2  LYS  14           2HG      LYS  14   3.686   0.736   5.878
  125    HG3  LYS  14           1HG      LYS  14   3.452   2.453   5.577
  126    HD2  LYS  14           2HD      LYS  14   1.389   1.951   4.365
  127    HD3  LYS  14           1HD      LYS  14   1.638   0.227   4.657
  128    HE2  LYS  14           2HE      LYS  14   1.603   0.716   7.101
  129    HE3  LYS  14           1HE      LYS  14   1.156   2.375   6.712
  130    HZ1  LYS  14           2HZ      LYS  14  -0.401  -0.066   6.071
  131    HZ2  LYS  14           3HZ      LYS  14  -0.819   1.494   5.575
  132    HZ3  LYS  14           1HZ      LYS  14  -0.801   1.103   7.222
  133    H    MET  15           H        MET  15   4.001   1.135   0.757
  134    HA   MET  15           HA       MET  15   6.758   1.154   0.369
  135    HB2  MET  15           2HB      MET  15   4.516   0.813  -1.621
  136    HB3  MET  15           1HB      MET  15   6.209   0.572  -2.025
  137    HG2  MET  15           2HG      MET  15   4.731  -0.936   0.116
  138    HG3  MET  15           1HG      MET  15   4.988  -1.515  -1.529
  139    HE1  MET  15           2HE      MET  15   8.812  -2.081  -1.702
  140    HE2  MET  15           3HE      MET  15   7.907  -0.672  -2.250
  141    HE3  MET  15           1HE      MET  15   7.256  -2.290  -2.505
  142    H    TRP  16           H        TRP  16   4.295   3.265  -1.135
  143    HA   TRP  16           HA       TRP  16   6.308   4.690  -2.583
  144    HB2  TRP  16           2HB      TRP  16   4.574   6.046  -3.465
  145    HB3  TRP  16           1HB      TRP  16   3.912   4.426  -3.338
  146    HD1  TRP  16           HD       TRP  16   1.786   4.100  -1.832
  147    HE1  TRP  16           1HE      TRP  16   0.259   5.726  -0.562
  148    HE3  TRP  16           3HE      TRP  16   4.675   8.295  -2.083
  149    HZ2  TRP  16           2HZ      TRP  16   0.278   8.441   0.233
  150    HZ3  TRP  16           3HZ      TRP  16   3.850  10.363  -1.049
  151    HH2  TRP  16           HH       TRP  16   1.703  10.428   0.093
  152    H    LEU  17           H        LEU  17   4.704   5.086   0.485
  153    HA   LEU  17           HA       LEU  17   5.369   7.787   0.967
  154    HB2  LEU  17           2HB      LEU  17   4.695   5.445   2.698
  155    HB3  LEU  17           1HB      LEU  17   5.246   6.935   3.437
  156    HG   LEU  17           HG       LEU  17   2.883   6.807   1.567
  157   HD11  LEU  17          2HD1      LEU  17   2.920   6.700   4.581
  158   HD12  LEU  17          3HD1      LEU  17   2.438   5.392   3.500
  159   HD13  LEU  17          1HD1      LEU  17   1.484   6.873   3.572
  160   HD21  LEU  17          1HD2      LEU  17   3.818   8.860   3.572
  161   HD22  LEU  17          2HD2      LEU  17   2.328   8.952   2.632
  162   HD23  LEU  17          3HD2      LEU  17   3.891   9.008   1.816
  163    H    LEU  18           H        LEU  18   6.998   4.754   1.781
  164    HA   LEU  18           HA       LEU  18   9.282   5.956   2.970
  165    HB2  LEU  18           2HB      LEU  18   8.618   3.234   1.917
  166    HB3  LEU  18           1HB      LEU  18  10.279   3.616   2.309
  167    HG   LEU  18           HG       LEU  18   9.715   3.983   4.630
  168   HD11  LEU  18          2HD1      LEU  18   6.854   3.449   3.840
  169   HD12  LEU  18          3HD1      LEU  18   7.516   4.992   4.382
  170   HD13  LEU  18          1HD1      LEU  18   7.452   3.620   5.489
  171   HD21  LEU  18          1HD2      LEU  18   8.448   1.464   3.570
  172   HD22  LEU  18          2HD2      LEU  18   8.974   1.735   5.232
  173   HD23  LEU  18          3HD2      LEU  18  10.160   1.699   3.927
  174    H    LYS  19           H        LYS  19   8.375   5.104  -0.285
  175    HA   LYS  19           HA       LYS  19  10.967   5.319  -1.434
  176    HB2  LYS  19           2HB      LYS  19   9.093   4.051  -2.453
  177    HB3  LYS  19           1HB      LYS  19   8.270   5.570  -2.772
  178    HG2  LYS  19           2HG      LYS  19  10.050   6.254  -4.270
  179    HG3  LYS  19           1HG      LYS  19  10.943   4.775  -3.909
  180    HD2  LYS  19           2HD      LYS  19   9.760   4.600  -6.039
  181    HD3  LYS  19           1HD      LYS  19   9.133   3.443  -4.866
  182    HE2  LYS  19           2HE      LYS  19   7.254   4.930  -4.395
  183    HE3  LYS  19           1HE      LYS  19   7.887   6.103  -5.545
  184    HZ1  LYS  19           2HZ      LYS  19   7.618   4.448  -7.299
  185    HZ2  LYS  19           3HZ      LYS  19   6.146   4.797  -6.545
  186    HZ3  LYS  19           1HZ      LYS  19   6.960   3.358  -6.184
  187    H    ILE  20           H        ILE  20   8.595   7.642  -0.490
  188    HA   ILE  20           HA       ILE  20   9.151   9.787  -2.166
  189    HB   ILE  20           HB       ILE  20   8.531   9.859   0.792
  190   HG12  ILE  20          2HG1      ILE  20   6.791   8.784  -0.570
  191   HG13  ILE  20          1HG1      ILE  20   6.234  10.322   0.081
  192   HG21  ILE  20          1HG2      ILE  20   7.834  12.180   0.427
  193   HG22  ILE  20          2HG2      ILE  20   8.403  12.085  -1.238
  194   HG23  ILE  20          3HG2      ILE  20   9.550  11.953   0.094
  195   HD11  ILE  20          2HD1      ILE  20   7.142   9.781  -2.734
  196   HD12  ILE  20          3HD1      ILE  20   6.708  11.369  -2.103
  197   HD13  ILE  20          1HD1      ILE  20   5.494  10.091  -2.188
  198    H    SER  21           H        SER  21  10.682   9.016   0.939
  199    HA   SER  21           HA       SER  21  12.807  10.898   0.501
  200    HB2  SER  21           2HB      SER  21  12.007  10.369   2.781
  201    HB3  SER  21           1HB      SER  21  12.555   8.706   2.579
  202    HG   SER  21           HG       SER  21  14.594  10.294   1.983
  203    H    ASN  22           H        ASN  22  12.298   7.455   0.170
  204    HA   ASN  22           HA       ASN  22  13.454   5.785  -0.814
  205    HB2  ASN  22           2HB      ASN  22  13.442   7.352  -2.756
  206    HB3  ASN  22           1HB      ASN  22  15.000   7.974  -2.218
  207   HD21  ASN  22          1HD2      ASN  22  16.153   7.321  -3.984
  208   HD22  ASN  22          2HD2      ASN  22  16.457   5.660  -4.359
  Start of MODEL    3
    1    H1   THR   1           1HT      THR   1  -9.581 -10.773  -3.682
    2    H2   THR   1           2HT      THR   1 -10.169 -12.251  -3.120
    3    H3   THR   1           3HT      THR   1  -9.213 -11.288  -2.108
    4    HA   THR   1           HA       THR   1 -11.957 -10.734  -3.069
    5    HB   THR   1           HB       THR   1 -12.482 -10.676  -0.663
    6    HG1  THR   1           1HG      THR   1 -10.845 -11.505   0.789
    7   HG21  THR   1          1HG2      THR   1 -12.235 -13.084  -0.196
    8   HG22  THR   1          2HG2      THR   1 -11.122 -13.213  -1.557
    9   HG23  THR   1          3HG2      THR   1 -12.806 -12.772  -1.834
   10    H    ASP   2           H        ASP   2 -12.754  -8.832  -1.406
   11    HA   ASP   2           HA       ASP   2 -11.365  -6.486  -2.186
   12    HB2  ASP   2           2HB      ASP   2 -13.519  -6.973  -0.127
   13    HB3  ASP   2           1HB      ASP   2 -12.830  -5.380  -0.400
   14    H    GLU   3           H        GLU   3 -11.228  -8.565   0.600
   15    HA   GLU   3           HA       GLU   3  -9.714  -6.888   2.292
   16    HB2  GLU   3           2HB      GLU   3 -10.271  -9.811   2.145
   17    HB3  GLU   3           1HB      GLU   3  -8.936  -9.278   3.155
   18    HG2  GLU   3           2HG      GLU   3 -11.076  -9.560   4.363
   19    HG3  GLU   3           1HG      GLU   3 -10.383  -7.946   4.496
   20    H    ASP   4           H        ASP   4  -8.808  -9.225  -0.192
   21    HA   ASP   4           HA       ASP   4  -6.009  -9.041   0.161
   22    HB2  ASP   4           2HB      ASP   4  -7.632  -9.668  -2.312
   23    HB3  ASP   4           1HB      ASP   4  -5.876  -9.769  -2.249
   24    H    VAL   5           H        VAL   5  -8.329  -7.103  -1.591
   25    HA   VAL   5           HA       VAL   5  -6.449  -5.458  -2.916
   26    HB   VAL   5           HB       VAL   5  -9.333  -4.936  -2.209
   27   HG11  VAL   5          2HG1      VAL   5  -7.469  -3.366  -3.991
   28   HG12  VAL   5          3HG1      VAL   5  -8.122  -2.836  -2.441
   29   HG13  VAL   5          1HG1      VAL   5  -9.203  -3.085  -3.814
   30   HG21  VAL   5          1HG2      VAL   5  -9.035  -6.755  -3.768
   31   HG22  VAL   5          2HG2      VAL   5  -7.956  -5.770  -4.753
   32   HG23  VAL   5          3HG2      VAL   5  -9.664  -5.348  -4.625
   33    H    LYS   6           H        LYS   6  -8.393  -4.956   0.008
   34    HA   LYS   6           HA       LYS   6  -7.391  -2.510   0.808
   35    HB2  LYS   6           2HB      LYS   6  -8.117  -4.889   2.518
   36    HB3  LYS   6           1HB      LYS   6  -7.889  -3.260   3.134
   37    HG2  LYS   6           2HG      LYS   6  -9.758  -2.508   1.695
   38    HG3  LYS   6           1HG      LYS   6 -10.019  -4.190   1.224
   39    HD2  LYS   6           2HD      LYS   6 -10.409  -4.786   3.565
   40    HD3  LYS   6           1HD      LYS   6 -10.145  -3.108   4.038
   41    HE2  LYS   6           2HE      LYS   6 -12.505  -3.490   3.942
   42    HE3  LYS   6           1HE      LYS   6 -12.060  -2.468   2.577
   43    HZ1  LYS   6           2HZ      LYS   6 -12.153  -4.360   1.130
   44    HZ2  LYS   6           3HZ      LYS   6 -13.609  -4.253   1.979
   45    HZ3  LYS   6           1HZ      LYS   6 -12.454  -5.410   2.428
   46    H    LYS   7           H        LYS   7  -6.030  -5.701   1.114
   47    HA   LYS   7           HA       LYS   7  -3.932  -5.126   2.884
   48    HB2  LYS   7           2HB      LYS   7  -4.722  -7.409   2.299
   49    HB3  LYS   7           1HB      LYS   7  -3.995  -7.221   0.709
   50    HG2  LYS   7           2HG      LYS   7  -1.791  -6.905   1.831
   51    HG3  LYS   7           1HG      LYS   7  -2.576  -7.302   3.361
   52    HD2  LYS   7           2HD      LYS   7  -2.331  -9.077   0.935
   53    HD3  LYS   7           1HD      LYS   7  -1.498  -9.272   2.476
   54    HE2  LYS   7           2HE      LYS   7  -4.470  -9.469   2.007
   55    HE3  LYS   7           1HE      LYS   7  -3.370 -10.810   2.314
   56    HZ1  LYS   7           2HZ      LYS   7  -4.588 -10.166   4.299
   57    HZ2  LYS   7           3HZ      LYS   7  -3.957  -8.601   4.208
   58    HZ3  LYS   7           1HZ      LYS   7  -2.928  -9.911   4.503
   59    H    TRP   8           H        TRP   8  -3.898  -5.382  -0.693
   60    HA   TRP   8           HA       TRP   8  -1.147  -4.616  -0.786
   61    HB2  TRP   8           2HB      TRP   8  -1.268  -4.809  -3.140
   62    HB3  TRP   8           1HB      TRP   8  -2.284  -6.088  -2.498
   63    HD1  TRP   8           HD       TRP   8  -4.709  -6.169  -3.299
   64    HE1  TRP   8           1HE      TRP   8  -6.152  -4.778  -4.908
   65    HE3  TRP   8           3HE      TRP   8  -1.602  -2.200  -3.891
   66    HZ2  TRP   8           2HZ      TRP   8  -5.978  -2.311  -6.254
   67    HZ3  TRP   8           3HZ      TRP   8  -2.310  -0.353  -5.358
   68    HH2  TRP   8           HH       TRP   8  -4.456  -0.410  -6.513
   69    H    ARG   9           H        ARG   9  -4.191  -2.941  -0.994
   70    HA   ARG   9           HA       ARG   9  -3.321  -0.676  -2.344
   71    HB2  ARG   9           2HB      ARG   9  -5.532  -1.121  -0.379
   72    HB3  ARG   9           1HB      ARG   9  -5.199   0.492  -0.993
   73    HG2  ARG   9           2HG      ARG   9  -5.432  -0.524  -3.310
   74    HG3  ARG   9           1HG      ARG   9  -6.117  -1.931  -2.493
   75    HD2  ARG   9           2HD      ARG   9  -7.149   0.892  -2.492
   76    HD3  ARG   9           1HD      ARG   9  -7.936  -0.543  -3.142
   77    HE   ARG   9           HE       ARG   9  -7.389  -0.521  -0.286
   78   HH11  ARG   9          1HH1      ARG   9  -9.737  -0.081  -2.850
   79   HH12  ARG   9          2HH1      ARG   9 -11.099  -0.163  -1.781
   80   HH21  ARG   9          1HH2      ARG   9  -9.174  -0.626   1.118
   81   HH22  ARG   9          2HH2      ARG   9 -10.781  -0.497   0.473
   82    H    GLU  10           H        GLU  10  -3.609  -1.209   1.139
   83    HA   GLU  10           HA       GLU  10  -2.302   1.236   1.785
   84    HB2  GLU  10           2HB      GLU  10  -2.438   0.495   4.084
   85    HB3  GLU  10           1HB      GLU  10  -3.960   0.210   3.256
   86    HG2  GLU  10           2HG      GLU  10  -3.296  -2.164   2.971
   87    HG3  GLU  10           1HG      GLU  10  -1.872  -1.837   3.959
   88    H    GLU  11           H        GLU  11  -1.243  -2.051   1.268
   89    HA   GLU  11           HA       GLU  11   1.319  -1.856   2.428
   90    HB2  GLU  11           2HB      GLU  11   0.274  -3.987   1.697
   91    HB3  GLU  11           1HB      GLU  11   0.470  -3.488   0.024
   92    HG2  GLU  11           2HG      GLU  11   2.202  -5.048   0.650
   93    HG3  GLU  11           1HG      GLU  11   2.898  -3.462   0.316
   94    H    ARG  12           H        ARG  12   0.284  -1.467  -0.959
   95    HA   ARG  12           HA       ARG  12   2.768  -0.514  -1.905
   96    HB2  ARG  12           2HB      ARG  12  -0.031  -0.263  -2.987
   97    HB3  ARG  12           1HB      ARG  12   1.367   0.383  -3.832
   98    HG2  ARG  12           2HG      ARG  12   2.339  -1.907  -3.838
   99    HG3  ARG  12           1HG      ARG  12   0.826  -2.497  -3.149
  100    HD2  ARG  12           2HD      ARG  12   0.865  -2.818  -5.564
  101    HD3  ARG  12           1HD      ARG  12  -0.388  -1.670  -5.107
  102    HE   ARG  12           HE       ARG  12   1.960  -0.262  -5.738
  103   HH11  ARG  12          1HH1      ARG  12  -0.519  -2.179  -7.288
  104   HH12  ARG  12          2HH1      ARG  12  -0.403  -1.342  -8.801
  105   HH21  ARG  12          1HH2      ARG  12   2.122   0.845  -7.730
  106   HH22  ARG  12          2HH2      ARG  12   1.112   0.370  -9.058
  107    H    LYS  13           H        LYS  13   0.043   1.056  -0.405
  108    HA   LYS  13           HA       LYS  13   0.651   3.721  -0.983
  109    HB2  LYS  13           2HB      LYS  13  -1.296   2.502   0.438
  110    HB3  LYS  13           1HB      LYS  13  -0.300   3.102   1.757
  111    HG2  LYS  13           2HG      LYS  13  -1.933   4.747   1.345
  112    HG3  LYS  13           1HG      LYS  13  -0.424   5.369   0.669
  113    HD2  LYS  13           2HD      LYS  13  -1.136   4.539  -1.555
  114    HD3  LYS  13           1HD      LYS  13  -2.675   4.057  -0.845
  115    HE2  LYS  13           2HE      LYS  13  -3.031   6.426  -0.174
  116    HE3  LYS  13           1HE      LYS  13  -1.561   6.844  -1.056
  117    HZ1  LYS  13           2HZ      LYS  13  -3.988   5.607  -2.236
  118    HZ2  LYS  13           3HZ      LYS  13  -2.578   6.004  -3.077
  119    HZ3  LYS  13           1HZ      LYS  13  -3.529   7.225  -2.399
  120    H    LYS  14           H        LYS  14   1.628   1.703   1.774
  121    HA   LYS  14           HA       LYS  14   3.384   3.605   2.898
  122    HB2  LYS  14           2HB      LYS  14   3.414   0.596   3.149
  123    HB3  LYS  14           1HB      LYS  14   4.255   1.724   4.205
  124    HG2  LYS  14           2HG      LYS  14   2.164   2.629   4.982
  125    HG3  LYS  14           1HG      LYS  14   1.270   1.632   3.833
  126    HD2  LYS  14           2HD      LYS  14   1.159   0.620   6.011
  127    HD3  LYS  14           1HD      LYS  14   2.155  -0.380   4.954
  128    HE2  LYS  14           2HE      LYS  14   4.173   0.594   5.937
  129    HE3  LYS  14           1HE      LYS  14   3.179   1.606   6.982
  130    HZ1  LYS  14           2HZ      LYS  14   2.267  -0.441   7.959
  131    HZ2  LYS  14           3HZ      LYS  14   3.934  -0.298   8.193
  132    HZ3  LYS  14           1HZ      LYS  14   3.332  -1.356   7.018
  133    H    MET  15           H        MET  15   3.748   1.270   0.335
  134    HA   MET  15           HA       MET  15   6.550   1.074   0.301
  135    HB2  MET  15           2HB      MET  15   4.554   0.835  -1.948
  136    HB3  MET  15           1HB      MET  15   6.267   0.491  -2.130
  137    HG2  MET  15           2HG      MET  15   6.067  -1.252  -0.400
  138    HG3  MET  15           1HG      MET  15   4.335  -0.935  -0.319
  139    HE1  MET  15           2HE      MET  15   6.707  -1.001  -3.482
  140    HE2  MET  15           3HE      MET  15   6.516  -2.679  -3.988
  141    HE3  MET  15           1HE      MET  15   7.296  -2.305  -2.451
  142    H    TRP  16           H        TRP  16   4.375   3.331  -1.418
  143    HA   TRP  16           HA       TRP  16   6.628   4.685  -2.583
  144    HB2  TRP  16           2HB      TRP  16   5.077   6.137  -3.661
  145    HB3  TRP  16           1HB      TRP  16   4.390   4.524  -3.712
  146    HD1  TRP  16           HD       TRP  16   2.033   4.179  -2.618
  147    HE1  TRP  16           1HE      TRP  16   0.331   5.779  -1.551
  148    HE3  TRP  16           3HE      TRP  16   4.983   8.331  -2.164
  149    HZ2  TRP  16           2HZ      TRP  16   0.248   8.447  -0.631
  150    HZ3  TRP  16           3HZ      TRP  16   4.011  10.362  -1.181
  151    HH2  TRP  16           HH       TRP  16   1.706  10.411  -0.424
  152    H    LEU  17           H        LEU  17   4.574   5.121   0.208
  153    HA   LEU  17           HA       LEU  17   5.297   7.759   0.891
  154    HB2  LEU  17           2HB      LEU  17   4.339   5.395   2.478
  155    HB3  LEU  17           1HB      LEU  17   4.771   6.894   3.277
  156    HG   LEU  17           HG       LEU  17   2.709   6.761   1.081
  157   HD11  LEU  17          2HD1      LEU  17   1.022   6.784   2.853
  158   HD12  LEU  17          3HD1      LEU  17   2.292   6.622   4.068
  159   HD13  LEU  17          1HD1      LEU  17   1.999   5.316   2.919
  160   HD21  LEU  17          1HD2      LEU  17   3.676   8.957   1.516
  161   HD22  LEU  17          2HD2      LEU  17   3.310   8.790   3.232
  162   HD23  LEU  17          3HD2      LEU  17   1.999   8.895   2.058
  163    H    LEU  18           H        LEU  18   6.717   4.622   1.675
  164    HA   LEU  18           HA       LEU  18   8.810   5.701   3.308
  165    HB2  LEU  18           2HB      LEU  18   8.101   3.020   2.217
  166    HB3  LEU  18           1HB      LEU  18   9.746   3.280   2.759
  167    HG   LEU  18           HG       LEU  18   9.027   3.710   5.003
  168   HD11  LEU  18          2HD1      LEU  18   6.197   3.527   3.980
  169   HD12  LEU  18          3HD1      LEU  18   7.006   4.989   4.546
  170   HD13  LEU  18          1HD1      LEU  18   6.678   3.673   5.670
  171   HD21  LEU  18          1HD2      LEU  18   7.949   1.588   5.557
  172   HD22  LEU  18          2HD2      LEU  18   9.227   1.375   4.361
  173   HD23  LEU  18          3HD2      LEU  18   7.536   1.357   3.858
  174    H    LYS  19           H        LYS  19   8.312   5.307  -0.048
  175    HA   LYS  19           HA       LYS  19  11.179   5.460  -0.610
  176    HB2  LYS  19           2HB      LYS  19   9.404   3.929  -1.843
  177    HB3  LYS  19           1HB      LYS  19   9.126   5.392  -2.778
  178    HG2  LYS  19           2HG      LYS  19  11.716   5.392  -3.041
  179    HG3  LYS  19           1HG      LYS  19  11.568   3.688  -2.613
  180    HD2  LYS  19           2HD      LYS  19  11.490   3.730  -4.959
  181    HD3  LYS  19           1HD      LYS  19   9.808   3.552  -4.454
  182    HE2  LYS  19           2HE      LYS  19   9.915   5.189  -6.209
  183    HE3  LYS  19           1HE      LYS  19   9.527   6.005  -4.696
  184    HZ1  LYS  19           2HZ      LYS  19  12.181   5.909  -6.020
  185    HZ2  LYS  19           3HZ      LYS  19  11.905   6.599  -4.496
  186    HZ3  LYS  19           1HZ      LYS  19  11.177   7.257  -5.881
  187    H    ILE  20           H        ILE  20   9.291   7.659   0.427
  188    HA   ILE  20           HA       ILE  20   9.445   9.645  -1.651
  189    HB   ILE  20           HB       ILE  20   8.820   9.896   1.297
  190   HG12  ILE  20          2HG1      ILE  20   7.117   8.730  -0.040
  191   HG13  ILE  20          1HG1      ILE  20   6.529  10.295   0.515
  192   HG21  ILE  20          1HG2      ILE  20   9.830  11.965   0.468
  193   HG22  ILE  20          2HG2      ILE  20   8.117  12.180   0.830
  194   HG23  ILE  20          3HG2      ILE  20   8.649  12.011  -0.841
  195   HD11  ILE  20          2HD1      ILE  20   7.485   9.581  -2.244
  196   HD12  ILE  20          3HD1      ILE  20   7.105  11.221  -1.721
  197   HD13  ILE  20          1HD1      ILE  20   5.847   9.989  -1.745
  198    H    SER  21           H        SER  21  11.246   8.773   1.227
  199    HA   SER  21           HA       SER  21  13.181  10.857   0.960
  200    HB2  SER  21           2HB      SER  21  12.639   9.677   3.107
  201    HB3  SER  21           1HB      SER  21  13.421   8.237   2.463
  202    HG   SER  21           HG       SER  21  14.633  10.769   2.908
  203    H    ASN  22           H        ASN  22  12.768   7.647  -0.308
  204    HA   ASN  22           HA       ASN  22  15.496   7.587  -1.353
  205    HB2  ASN  22           2HB      ASN  22  14.740   5.540  -0.270
  206    HB3  ASN  22           1HB      ASN  22  13.334   5.468  -1.327
  207   HD21  ASN  22          1HD2      ASN  22  16.790   5.088  -1.127
  208   HD22  ASN  22          2HD2      ASN  22  16.972   4.203  -2.600
  Start of MODEL    4
    1    H1   THR   1           1HT      THR   1 -11.090 -11.531  -3.311
    2    H2   THR   1           2HT      THR   1 -10.077 -10.890  -2.118
    3    H3   THR   1           3HT      THR   1 -10.265 -10.081  -3.592
    4    HA   THR   1           HA       THR   1 -12.651  -9.802  -3.078
    5    HB   THR   1           HB       THR   1 -13.307 -10.016  -0.713
    6    HG1  THR   1           1HG      THR   1 -10.789 -11.341  -0.389
    7   HG21  THR   1          1HG2      THR   1 -12.271 -12.588  -1.899
    8   HG22  THR   1          2HG2      THR   1 -13.820 -11.834  -2.268
    9   HG23  THR   1          3HG2      THR   1 -13.506 -12.454  -0.648
   10    H    ASP   2           H        ASP   2 -13.305  -8.042  -1.277
   11    HA   ASP   2           HA       ASP   2 -11.685  -5.798  -1.685
   12    HB2  ASP   2           2HB      ASP   2 -14.061  -5.636  -1.090
   13    HB3  ASP   2           1HB      ASP   2 -13.717  -6.291   0.506
   14    H    GLU   3           H        GLU   3 -11.835  -8.099   0.975
   15    HA   GLU   3           HA       GLU   3 -10.060  -6.856   2.745
   16    HB2  GLU   3           2HB      GLU   3 -10.606  -9.789   2.268
   17    HB3  GLU   3           1HB      GLU   3  -9.669  -9.169   3.619
   18    HG2  GLU   3           2HG      GLU   3 -11.611  -7.949   4.424
   19    HG3  GLU   3           1HG      GLU   3 -12.554  -8.534   3.054
   20    H    ASP   4           H        ASP   4  -9.481  -9.087   0.063
   21    HA   ASP   4           HA       ASP   4  -6.686  -9.351   0.442
   22    HB2  ASP   4           2HB      ASP   4  -8.327  -9.624  -2.087
   23    HB3  ASP   4           1HB      ASP   4  -6.648 -10.125  -1.920
   24    H    VAL   5           H        VAL   5  -8.656  -7.175  -1.478
   25    HA   VAL   5           HA       VAL   5  -6.547  -5.822  -2.759
   26    HB   VAL   5           HB       VAL   5  -9.389  -5.012  -2.176
   27   HG11  VAL   5          2HG1      VAL   5  -9.073  -3.198  -3.778
   28   HG12  VAL   5          3HG1      VAL   5  -7.360  -3.602  -3.901
   29   HG13  VAL   5          1HG1      VAL   5  -8.018  -3.009  -2.377
   30   HG21  VAL   5          1HG2      VAL   5  -9.626  -5.420  -4.612
   31   HG22  VAL   5          2HG2      VAL   5  -9.182  -6.860  -3.695
   32   HG23  VAL   5          3HG2      VAL   5  -7.961  -6.001  -4.631
   33    H    LYS   6           H        LYS   6  -8.332  -5.190   0.203
   34    HA   LYS   6           HA       LYS   6  -7.286  -2.739   0.935
   35    HB2  LYS   6           2HB      LYS   6  -9.093  -4.290   1.997
   36    HB3  LYS   6           1HB      LYS   6  -7.751  -4.924   2.936
   37    HG2  LYS   6           2HG      LYS   6  -7.320  -2.739   3.858
   38    HG3  LYS   6           1HG      LYS   6  -8.585  -2.038   2.850
   39    HD2  LYS   6           2HD      LYS   6  -8.914  -4.031   5.088
   40    HD3  LYS   6           1HD      LYS   6  -9.489  -2.363   5.046
   41    HE2  LYS   6           2HE      LYS   6 -10.438  -4.632   3.298
   42    HE3  LYS   6           1HE      LYS   6 -11.321  -3.911   4.640
   43    HZ1  LYS   6           2HZ      LYS   6 -10.479  -2.379   2.249
   44    HZ2  LYS   6           3HZ      LYS   6 -11.566  -1.902   3.451
   45    HZ3  LYS   6           1HZ      LYS   6 -11.988  -3.143   2.374
   46    H    LYS   7           H        LYS   7  -5.918  -5.930   1.128
   47    HA   LYS   7           HA       LYS   7  -3.793  -5.401   2.902
   48    HB2  LYS   7           2HB      LYS   7  -4.581  -7.669   2.344
   49    HB3  LYS   7           1HB      LYS   7  -3.973  -7.473   0.708
   50    HG2  LYS   7           2HG      LYS   7  -1.695  -7.212   1.631
   51    HG3  LYS   7           1HG      LYS   7  -2.342  -7.536   3.238
   52    HD2  LYS   7           2HD      LYS   7  -2.770  -9.470   0.987
   53    HD3  LYS   7           1HD      LYS   7  -1.266  -9.471   1.904
   54    HE2  LYS   7           2HE      LYS   7  -2.684 -11.102   2.888
   55    HE3  LYS   7           1HE      LYS   7  -2.637  -9.725   3.985
   56    HZ1  LYS   7           2HZ      LYS   7  -4.817 -10.202   2.031
   57    HZ2  LYS   7           3HZ      LYS   7  -4.789  -9.052   3.272
   58    HZ3  LYS   7           1HZ      LYS   7  -4.873 -10.696   3.645
   59    H    TRP   8           H        TRP   8  -3.811  -5.610  -0.682
   60    HA   TRP   8           HA       TRP   8  -1.077  -4.811  -0.838
   61    HB2  TRP   8           2HB      TRP   8  -1.271  -4.949  -3.191
   62    HB3  TRP   8           1HB      TRP   8  -2.266  -6.241  -2.547
   63    HD1  TRP   8           HD       TRP   8  -4.729  -6.305  -3.268
   64    HE1  TRP   8           1HE      TRP   8  -6.207  -4.891  -4.826
   65    HE3  TRP   8           3HE      TRP   8  -1.618  -2.333  -3.897
   66    HZ2  TRP   8           2HZ      TRP   8  -6.065  -2.400  -6.137
   67    HZ3  TRP   8           3HZ      TRP   8  -2.358  -0.461  -5.322
   68    HH2  TRP   8           HH       TRP   8  -4.540  -0.497  -6.416
   69    H    ARG   9           H        ARG   9  -4.133  -3.162  -0.942
   70    HA   ARG   9           HA       ARG   9  -3.443  -0.841  -2.214
   71    HB2  ARG   9           2HB      ARG   9  -5.476  -1.570  -0.201
   72    HB3  ARG   9           1HB      ARG   9  -5.164   0.148  -0.409
   73    HG2  ARG   9           2HG      ARG   9  -5.616  -0.081  -2.811
   74    HG3  ARG   9           1HG      ARG   9  -5.985  -1.788  -2.558
   75    HD2  ARG   9           2HD      ARG   9  -7.837  -1.216  -1.121
   76    HD3  ARG   9           1HD      ARG   9  -7.425   0.496  -1.217
   77    HE   ARG   9           HE       ARG   9  -7.787  -0.106  -3.788
   78   HH11  ARG   9          1HH1      ARG   9  -9.741  -0.836  -0.983
   79   HH12  ARG   9          2HH1      ARG   9 -11.236  -0.831  -1.866
   80   HH21  ARG   9          1HH2      ARG   9  -9.755  -0.086  -4.947
   81   HH22  ARG   9          2HH2      ARG   9 -11.244  -0.397  -4.114
   82    H    GLU  10           H        GLU  10  -3.211  -1.487   1.270
   83    HA   GLU  10           HA       GLU  10  -1.993   1.038   1.803
   84    HB2  GLU  10           2HB      GLU  10  -1.684   0.204   4.065
   85    HB3  GLU  10           1HB      GLU  10  -3.310  -0.126   3.490
   86    HG2  GLU  10           2HG      GLU  10  -2.777  -2.425   3.106
   87    HG3  GLU  10           1HG      GLU  10  -1.080  -2.141   3.486
   88    H    GLU  11           H        GLU  11  -0.853  -2.114   0.960
   89    HA   GLU  11           HA       GLU  11   1.793  -1.914   1.923
   90    HB2  GLU  11           2HB      GLU  11   0.851  -4.062   1.303
   91    HB3  GLU  11           1HB      GLU  11   0.635  -3.528  -0.356
   92    HG2  GLU  11           2HG      GLU  11   3.016  -3.426  -0.684
   93    HG3  GLU  11           1HG      GLU  11   3.297  -3.815   1.014
   94    H    ARG  12           H        ARG  12   0.494  -1.505  -1.357
   95    HA   ARG  12           HA       ARG  12   2.890  -0.501  -2.465
   96    HB2  ARG  12           2HB      ARG  12   0.027  -0.247  -3.378
   97    HB3  ARG  12           1HB      ARG  12   1.416   0.237  -4.341
   98    HG2  ARG  12           2HG      ARG  12   2.266  -2.078  -4.195
   99    HG3  ARG  12           1HG      ARG  12   0.781  -2.528  -3.358
  100    HD2  ARG  12           2HD      ARG  12  -0.530  -1.867  -5.293
  101    HD3  ARG  12           1HD      ARG  12   0.939  -1.354  -6.126
  102    HE   ARG  12           HE       ARG  12   1.276  -4.002  -5.348
  103   HH11  ARG  12          1HH1      ARG  12  -0.698  -2.139  -7.554
  104   HH12  ARG  12          2HH1      ARG  12  -0.911  -3.442  -8.677
  105   HH21  ARG  12          1HH2      ARG  12   1.006  -5.729  -6.815
  106   HH22  ARG  12          2HH2      ARG  12   0.068  -5.494  -8.252
  107    H    LYS  13           H        LYS  13   0.246   0.967  -0.782
  108    HA   LYS  13           HA       LYS  13   0.730   3.667  -1.318
  109    HB2  LYS  13           2HB      LYS  13  -1.198   2.485  -0.022
  110    HB3  LYS  13           1HB      LYS  13  -0.139   2.637   1.372
  111    HG2  LYS  13           2HG      LYS  13  -1.631   4.470   1.410
  112    HG3  LYS  13           1HG      LYS  13  -0.045   5.090   0.947
  113    HD2  LYS  13           2HD      LYS  13  -0.824   4.861  -1.459
  114    HD3  LYS  13           1HD      LYS  13  -2.441   4.605  -0.801
  115    HE2  LYS  13           2HE      LYS  13  -0.710   7.009  -0.279
  116    HE3  LYS  13           1HE      LYS  13  -2.029   6.947  -1.441
  117    HZ1  LYS  13           2HZ      LYS  13  -3.556   6.505   0.384
  118    HZ2  LYS  13           3HZ      LYS  13  -2.733   7.958   0.626
  119    HZ3  LYS  13           1HZ      LYS  13  -2.284   6.580   1.493
  120    H    LYS  14           H        LYS  14   1.926   1.582   1.305
  121    HA   LYS  14           HA       LYS  14   3.589   3.533   2.494
  122    HB2  LYS  14           2HB      LYS  14   3.829   0.521   2.580
  123    HB3  LYS  14           1HB      LYS  14   4.631   1.644   3.670
  124    HG2  LYS  14           2HG      LYS  14   2.602   2.273   4.682
  125    HG3  LYS  14           1HG      LYS  14   1.645   1.518   3.407
  126    HD2  LYS  14           2HD      LYS  14   2.643  -0.680   4.119
  127    HD3  LYS  14           1HD      LYS  14   3.299   0.162   5.525
  128    HE2  LYS  14           2HE      LYS  14   1.071   0.777   6.236
  129    HE3  LYS  14           1HE      LYS  14   0.380   0.055   4.783
  130    HZ1  LYS  14           2HZ      LYS  14   0.094  -1.516   6.478
  131    HZ2  LYS  14           3HZ      LYS  14   1.672  -1.321   7.063
  132    HZ3  LYS  14           1HZ      LYS  14   1.404  -2.088   5.579
  133    H    MET  15           H        MET  15   4.042   1.279  -0.130
  134    HA   MET  15           HA       MET  15   6.813   1.177  -0.259
  135    HB2  MET  15           2HB      MET  15   4.790   1.077  -2.494
  136    HB3  MET  15           1HB      MET  15   6.500   0.732  -2.708
  137    HG2  MET  15           2HG      MET  15   6.295  -1.099  -1.068
  138    HG3  MET  15           1HG      MET  15   4.563  -0.782  -0.978
  139    HE1  MET  15           2HE      MET  15   7.529  -2.098  -3.141
  140    HE2  MET  15           3HE      MET  15   6.997  -0.722  -4.107
  141    HE3  MET  15           1HE      MET  15   6.770  -2.363  -4.711
  142    H    TRP  16           H        TRP  16   4.621   3.486  -1.858
  143    HA   TRP  16           HA       TRP  16   6.859   4.909  -2.968
  144    HB2  TRP  16           2HB      TRP  16   5.279   6.332  -4.037
  145    HB3  TRP  16           1HB      TRP  16   4.632   4.702  -4.111
  146    HD1  TRP  16           HD       TRP  16   2.313   4.254  -2.974
  147    HE1  TRP  16           1HE      TRP  16   0.546   5.800  -1.929
  148    HE3  TRP  16           3HE      TRP  16   5.090   8.521  -2.596
  149    HZ2  TRP  16           2HZ      TRP  16   0.359   8.488  -1.049
  150    HZ3  TRP  16           3HZ      TRP  16   4.048  10.532  -1.645
  151    HH2  TRP  16           HH       TRP  16   1.740  10.507  -0.879
  152    H    LEU  17           H        LEU  17   4.753   5.244  -0.196
  153    HA   LEU  17           HA       LEU  17   5.319   7.918   0.476
  154    HB2  LEU  17           2HB      LEU  17   4.416   5.518   2.024
  155    HB3  LEU  17           1HB      LEU  17   4.803   7.004   2.867
  156    HG   LEU  17           HG       LEU  17   2.775   6.877   0.639
  157   HD11  LEU  17          2HD1      LEU  17   2.304   6.682   3.615
  158   HD12  LEU  17          3HD1      LEU  17   2.082   5.377   2.449
  159   HD13  LEU  17          1HD1      LEU  17   1.060   6.812   2.372
  160   HD21  LEU  17          1HD2      LEU  17   3.681   9.087   1.131
  161   HD22  LEU  17          2HD2      LEU  17   3.303   8.877   2.839
  162   HD23  LEU  17          3HD2      LEU  17   2.001   8.973   1.655
  163    H    LEU  18           H        LEU  18   6.747   4.881   1.629
  164    HA   LEU  18           HA       LEU  18   8.666   6.141   3.308
  165    HB2  LEU  18           2HB      LEU  18   8.225   3.346   2.322
  166    HB3  LEU  18           1HB      LEU  18   9.702   3.750   3.172
  167    HG   LEU  18           HG       LEU  18   8.481   4.303   5.176
  168   HD11  LEU  18          2HD1      LEU  18   6.057   4.093   5.340
  169   HD12  LEU  18          3HD1      LEU  18   5.961   3.753   3.612
  170   HD13  LEU  18          1HD1      LEU  18   6.505   5.335   4.171
  171   HD21  LEU  18          1HD2      LEU  18   8.997   1.948   4.775
  172   HD22  LEU  18          2HD2      LEU  18   7.436   1.746   3.980
  173   HD23  LEU  18          3HD2      LEU  18   7.507   2.138   5.697
  174    H    LYS  19           H        LYS  19   8.607   5.213  -0.030
  175    HA   LYS  19           HA       LYS  19  11.421   5.118  -0.420
  176    HB2  LYS  19           2HB      LYS  19   9.777   4.013  -1.911
  177    HB3  LYS  19           1HB      LYS  19   9.233   5.591  -2.451
  178    HG2  LYS  19           2HG      LYS  19  12.117   4.926  -2.730
  179    HG3  LYS  19           1HG      LYS  19  10.967   4.169  -3.831
  180    HD2  LYS  19           2HD      LYS  19  11.216   7.144  -3.385
  181    HD3  LYS  19           1HD      LYS  19  11.957   6.263  -4.722
  182    HE2  LYS  19           2HE      LYS  19   9.697   5.513  -5.414
  183    HE3  LYS  19           1HE      LYS  19   9.007   6.514  -4.138
  184    HZ1  LYS  19           2HZ      LYS  19   8.965   7.615  -6.295
  185    HZ2  LYS  19           3HZ      LYS  19  10.650   7.518  -6.397
  186    HZ3  LYS  19           1HZ      LYS  19   9.928   8.462  -5.193
  187    H    ILE  20           H        ILE  20   8.990   7.670  -0.689
  188    HA   ILE  20           HA       ILE  20  10.676   9.576  -1.927
  189    HB   ILE  20           HB       ILE  20   8.180   9.930  -0.272
  190   HG12  ILE  20          2HG1      ILE  20   8.727  10.080  -3.245
  191   HG13  ILE  20          1HG1      ILE  20   7.851   8.802  -2.409
  192   HG21  ILE  20          1HG2      ILE  20   9.517  11.956  -0.082
  193   HG22  ILE  20          2HG2      ILE  20   8.100  12.238  -1.093
  194   HG23  ILE  20          3HG2      ILE  20   9.684  12.026  -1.837
  195   HD11  ILE  20          2HD1      ILE  20   6.987  11.675  -2.647
  196   HD12  ILE  20          3HD1      ILE  20   6.109  10.401  -1.801
  197   HD13  ILE  20          1HD1      ILE  20   6.335  10.308  -3.549
  198    H    SER  21           H        SER  21  10.046   8.762   1.430
  199    HA   SER  21           HA       SER  21  11.548  10.963   2.470
  200    HB2  SER  21           2HB      SER  21  11.365   9.434   4.607
  201    HB3  SER  21           1HB      SER  21   9.946  10.269   3.977
  202    HG   SER  21           HG       SER  21  10.681   7.550   3.601
  203    H    ASN  22           H        ASN  22  12.411   7.994   1.107
  204    HA   ASN  22           HA       ASN  22  14.952   7.858   2.537
  205    HB2  ASN  22           2HB      ASN  22  13.794   5.739   2.139
  206    HB3  ASN  22           1HB      ASN  22  13.793   6.045   0.407
  207   HD21  ASN  22          1HD2      ASN  22  15.737   5.204   3.169
  208   HD22  ASN  22          2HD2      ASN  22  17.105   4.633   2.277
  Start of MODEL    5
    1    H1   THR   1           1HT      THR   1 -11.165 -11.572  -3.359
    2    H2   THR   1           2HT      THR   1 -10.016 -10.687  -2.492
    3    H3   THR   1           3HT      THR   1 -10.663 -10.057  -3.925
    4    HA   THR   1           HA       THR   1 -12.852  -9.967  -2.894
    5    HB   THR   1           HB       THR   1 -11.383 -10.621  -0.333
    6    HG1  THR   1           1HG      THR   1 -13.161 -12.507  -0.975
    7   HG21  THR   1          1HG2      THR   1 -14.333 -10.465  -0.963
    8   HG22  THR   1          2HG2      THR   1 -13.409  -9.267  -0.058
    9   HG23  THR   1          3HG2      THR   1 -13.631 -10.889   0.598
   10    H    ASP   2           H        ASP   2 -13.453  -8.057  -1.482
   11    HA   ASP   2           HA       ASP   2 -11.943  -5.814  -2.100
   12    HB2  ASP   2           2HB      ASP   2 -13.981  -6.261   0.082
   13    HB3  ASP   2           1HB      ASP   2 -13.272  -4.684  -0.247
   14    H    GLU   3           H        GLU   3 -11.956  -7.728   0.868
   15    HA   GLU   3           HA       GLU   3 -10.265  -6.119   2.393
   16    HB2  GLU   3           2HB      GLU   3 -10.623  -9.114   2.474
   17    HB3  GLU   3           1HB      GLU   3  -9.835  -8.158   3.723
   18    HG2  GLU   3           2HG      GLU   3 -12.718  -8.047   2.882
   19    HG3  GLU   3           1HG      GLU   3 -12.065  -8.602   4.423
   20    H    ASP   4           H        ASP   4  -9.530  -8.452  -0.103
   21    HA   ASP   4           HA       ASP   4  -6.742  -8.634   0.425
   22    HB2  ASP   4           2HB      ASP   4  -8.232  -9.110  -2.163
   23    HB3  ASP   4           1HB      ASP   4  -6.568  -9.582  -1.842
   24    H    VAL   5           H        VAL   5  -8.766  -6.434  -1.342
   25    HA   VAL   5           HA       VAL   5  -6.712  -5.058  -2.716
   26    HB   VAL   5           HB       VAL   5  -9.434  -4.095  -1.841
   27   HG11  VAL   5          2HG1      VAL   5  -7.459  -2.864  -3.762
   28   HG12  VAL   5          3HG1      VAL   5  -7.936  -2.218  -2.193
   29   HG13  VAL   5          1HG1      VAL   5  -9.115  -2.310  -3.501
   30   HG21  VAL   5          1HG2      VAL   5  -9.550  -5.963  -3.374
   31   HG22  VAL   5          2HG2      VAL   5  -8.412  -5.169  -4.464
   32   HG23  VAL   5          3HG2      VAL   5 -10.015  -4.479  -4.209
   33    H    LYS   6           H        LYS   6  -8.350  -4.510   0.375
   34    HA   LYS   6           HA       LYS   6  -6.980  -2.261   1.240
   35    HB2  LYS   6           2HB      LYS   6  -8.120  -4.613   2.727
   36    HB3  LYS   6           1HB      LYS   6  -7.244  -3.360   3.590
   37    HG2  LYS   6           2HG      LYS   6  -9.568  -2.893   3.763
   38    HG3  LYS   6           1HG      LYS   6  -8.860  -1.697   2.679
   39    HD2  LYS   6           2HD      LYS   6  -9.751  -2.792   0.765
   40    HD3  LYS   6           1HD      LYS   6 -10.230  -4.197   1.714
   41    HE2  LYS   6           2HE      LYS   6 -11.357  -1.421   2.038
   42    HE3  LYS   6           1HE      LYS   6 -12.128  -2.726   1.139
   43    HZ1  LYS   6           2HZ      LYS   6 -12.224  -4.025   3.192
   44    HZ2  LYS   6           3HZ      LYS   6 -13.044  -2.550   3.354
   45    HZ3  LYS   6           1HZ      LYS   6 -11.514  -2.746   4.045
   46    H    LYS   7           H        LYS   7  -5.958  -5.581   1.052
   47    HA   LYS   7           HA       LYS   7  -3.664  -5.435   2.699
   48    HB2  LYS   7           2HB      LYS   7  -4.243  -7.236   0.346
   49    HB3  LYS   7           1HB      LYS   7  -2.902  -7.449   1.460
   50    HG2  LYS   7           2HG      LYS   7  -4.441  -7.853   3.280
   51    HG3  LYS   7           1HG      LYS   7  -5.813  -7.553   2.207
   52    HD2  LYS   7           2HD      LYS   7  -5.056  -9.430   0.784
   53    HD3  LYS   7           1HD      LYS   7  -3.772  -9.753   1.947
   54    HE2  LYS   7           2HE      LYS   7  -5.363 -10.274   3.661
   55    HE3  LYS   7           1HE      LYS   7  -6.703  -9.750   2.643
   56    HZ1  LYS   7           2HZ      LYS   7  -6.341 -11.584   1.182
   57    HZ2  LYS   7           3HZ      LYS   7  -6.414 -12.190   2.765
   58    HZ3  LYS   7           1HZ      LYS   7  -4.919 -12.028   1.991
   59    H    TRP   8           H        TRP   8  -3.962  -5.338  -0.866
   60    HA   TRP   8           HA       TRP   8  -1.178  -4.827  -1.129
   61    HB2  TRP   8           2HB      TRP   8  -1.493  -4.764  -3.469
   62    HB3  TRP   8           1HB      TRP   8  -2.620  -5.968  -2.875
   63    HD1  TRP   8           HD       TRP   8  -5.084  -5.676  -3.519
   64    HE1  TRP   8           1HE      TRP   8  -6.428  -3.950  -4.869
   65    HE3  TRP   8           3HE      TRP   8  -1.547  -2.043  -3.897
   66    HZ2  TRP   8           2HZ      TRP   8  -6.028  -1.378  -5.946
   67    HZ3  TRP   8           3HZ      TRP   8  -2.106   0.027  -5.102
   68    HH2  TRP   8           HH       TRP   8  -4.301   0.355  -6.105
   69    H    ARG   9           H        ARG   9  -4.036  -2.870  -0.909
   70    HA   ARG   9           HA       ARG   9  -3.116  -0.527  -2.040
   71    HB2  ARG   9           2HB      ARG   9  -5.199  -1.175  -0.032
   72    HB3  ARG   9           1HB      ARG   9  -4.711   0.509  -0.166
   73    HG2  ARG   9           2HG      ARG   9  -5.205   0.385  -2.602
   74    HG3  ARG   9           1HG      ARG   9  -5.845  -1.238  -2.335
   75    HD2  ARG   9           2HD      ARG   9  -7.507  -0.359  -0.806
   76    HD3  ARG   9           1HD      ARG   9  -6.837   1.262  -0.975
   77    HE   ARG   9           HE       ARG   9  -7.715   0.028  -3.444
   78   HH11  ARG   9          1HH1      ARG   9  -8.564   2.080  -0.745
   79   HH12  ARG   9          2HH1      ARG   9  -9.875   2.850  -1.575
   80   HH21  ARG   9          1HH2      ARG   9  -9.432   1.030  -4.549
   81   HH22  ARG   9          2HH2      ARG   9 -10.369   2.255  -3.754
   82    H    GLU  10           H        GLU  10  -2.965  -1.523   1.356
   83    HA   GLU  10           HA       GLU  10  -1.472   0.782   2.121
   84    HB2  GLU  10           2HB      GLU  10  -1.291  -0.282   4.293
   85    HB3  GLU  10           1HB      GLU  10  -2.936  -0.392   3.685
   86    HG2  GLU  10           2HG      GLU  10  -2.594  -2.695   3.066
   87    HG3  GLU  10           1HG      GLU  10  -0.905  -2.607   3.561
   88    H    GLU  11           H        GLU  11  -0.686  -2.449   1.060
   89    HA   GLU  11           HA       GLU  11   1.995  -2.542   1.896
   90    HB2  GLU  11           2HB      GLU  11   0.844  -4.531   1.112
   91    HB3  GLU  11           1HB      GLU  11   0.655  -3.826  -0.488
   92    HG2  GLU  11           2HG      GLU  11   3.057  -3.863  -0.814
   93    HG3  GLU  11           1HG      GLU  11   3.281  -4.505   0.812
   94    H    ARG  12           H        ARG  12   0.638  -1.682  -1.284
   95    HA   ARG  12           HA       ARG  12   3.097  -0.771  -2.350
   96    HB2  ARG  12           2HB      ARG  12   0.231  -0.337  -3.157
   97    HB3  ARG  12           1HB      ARG  12   1.563   0.397  -4.038
   98    HG2  ARG  12           2HG      ARG  12   2.492  -1.829  -4.474
   99    HG3  ARG  12           1HG      ARG  12   1.135  -2.553  -3.612
  100    HD2  ARG  12           2HD      ARG  12   0.786  -2.641  -6.017
  101    HD3  ARG  12           1HD      ARG  12  -0.414  -1.607  -5.250
  102    HE   ARG  12           HE       ARG  12   1.759  -0.042  -6.124
  103   HH11  ARG  12          1HH1      ARG  12  -0.938  -1.879  -7.386
  104   HH12  ARG  12          2HH1      ARG  12  -1.111  -0.898  -8.807
  105   HH21  ARG  12          1HH2      ARG  12   1.554   1.245  -8.013
  106   HH22  ARG  12          2HH2      ARG  12   0.318   0.869  -9.173
  107    H    LYS  13           H        LYS  13   0.597   0.739  -0.453
  108    HA   LYS  13           HA       LYS  13   1.306   3.429  -0.769
  109    HB2  LYS  13           2HB      LYS  13  -0.540   2.061   0.738
  110    HB3  LYS  13           1HB      LYS  13   0.572   2.646   1.967
  111    HG2  LYS  13           2HG      LYS  13  -1.094   4.286   1.782
  112    HG3  LYS  13           1HG      LYS  13   0.304   4.936   0.921
  113    HD2  LYS  13           2HD      LYS  13  -0.697   4.092  -1.200
  114    HD3  LYS  13           1HD      LYS  13  -2.134   3.632  -0.286
  115    HE2  LYS  13           2HE      LYS  13  -2.384   5.992   0.416
  116    HE3  LYS  13           1HE      LYS  13  -1.015   6.409  -0.615
  117    HZ1  LYS  13           2HZ      LYS  13  -3.617   5.284  -1.498
  118    HZ2  LYS  13           3HZ      LYS  13  -2.288   5.534  -2.516
  119    HZ3  LYS  13           1HZ      LYS  13  -3.046   6.851  -1.773
  120    H    LYS  14           H        LYS  14   2.404   1.012   1.582
  121    HA   LYS  14           HA       LYS  14   4.267   2.650   2.906
  122    HB2  LYS  14           2HB      LYS  14   4.329  -0.353   2.561
  123    HB3  LYS  14           1HB      LYS  14   5.244   0.559   3.751
  124    HG2  LYS  14           2HG      LYS  14   2.247   0.318   3.609
  125    HG3  LYS  14           1HG      LYS  14   3.312  -0.479   4.766
  126    HD2  LYS  14           2HD      LYS  14   3.993   1.703   5.638
  127    HD3  LYS  14           1HD      LYS  14   2.927   2.498   4.481
  128    HE2  LYS  14           2HE      LYS  14   1.875   2.369   6.669
  129    HE3  LYS  14           1HE      LYS  14   0.999   1.388   5.495
  130    HZ1  LYS  14           2HZ      LYS  14   1.262   0.238   7.599
  131    HZ2  LYS  14           3HZ      LYS  14   2.944   0.360   7.489
  132    HZ3  LYS  14           1HZ      LYS  14   2.088  -0.576   6.371
  133    H    MET  15           H        MET  15   4.447   0.786  -0.034
  134    HA   MET  15           HA       MET  15   7.238   0.642  -0.284
  135    HB2  MET  15           2HB      MET  15   5.125   0.760  -2.444
  136    HB3  MET  15           1HB      MET  15   6.812   0.350  -2.719
  137    HG2  MET  15           2HG      MET  15   6.566  -1.600  -1.253
  138    HG3  MET  15           1HG      MET  15   4.868  -1.189  -1.012
  139    HE1  MET  15           2HE      MET  15   6.684  -2.537  -5.037
  140    HE2  MET  15           3HE      MET  15   7.598  -2.367  -3.538
  141    HE3  MET  15           1HE      MET  15   6.979  -0.936  -4.362
  142    H    TRP  16           H        TRP  16   4.929   3.047  -1.575
  143    HA   TRP  16           HA       TRP  16   7.090   4.605  -2.650
  144    HB2  TRP  16           2HB      TRP  16   5.451   6.106  -3.496
  145    HB3  TRP  16           1HB      TRP  16   4.804   4.486  -3.683
  146    HD1  TRP  16           HD       TRP  16   2.518   3.956  -2.547
  147    HE1  TRP  16           1HE      TRP  16   0.825   5.362  -1.229
  148    HE3  TRP  16           3HE      TRP  16   5.374   8.109  -1.721
  149    HZ2  TRP  16           2HZ      TRP  16   0.714   7.895   0.006
  150    HZ3  TRP  16           3HZ      TRP  16   4.400   9.979  -0.460
  151    HH2  TRP  16           HH       TRP  16   2.124   9.864   0.393
  152    H    LEU  17           H        LEU  17   5.229   4.593   0.291
  153    HA   LEU  17           HA       LEU  17   5.779   7.207   1.167
  154    HB2  LEU  17           2HB      LEU  17   5.116   4.649   2.573
  155    HB3  LEU  17           1HB      LEU  17   5.536   6.076   3.499
  156    HG   LEU  17           HG       LEU  17   3.319   6.060   1.456
  157   HD11  LEU  17          2HD1      LEU  17   1.778   5.844   3.356
  158   HD12  LEU  17          3HD1      LEU  17   3.149   5.577   4.431
  159   HD13  LEU  17          1HD1      LEU  17   2.786   4.410   3.161
  160   HD21  LEU  17          1HD2      LEU  17   3.980   7.894   3.761
  161   HD22  LEU  17          2HD2      LEU  17   2.585   8.041   2.694
  162   HD23  LEU  17          3HD2      LEU  17   4.211   8.251   2.050
  163    H    LEU  18           H        LEU  18   7.649   4.249   1.319
  164    HA   LEU  18           HA       LEU  18   9.695   5.404   2.994
  165    HB2  LEU  18           2HB      LEU  18   9.256   2.779   1.650
  166    HB3  LEU  18           1HB      LEU  18  10.883   3.204   2.139
  167    HG   LEU  18           HG       LEU  18  10.241   3.312   4.452
  168   HD11  LEU  18          2HD1      LEU  18   8.014   4.294   4.192
  169   HD12  LEU  18          3HD1      LEU  18   7.974   2.860   5.219
  170   HD13  LEU  18          1HD1      LEU  18   7.416   2.765   3.549
  171   HD21  LEU  18          1HD2      LEU  18   9.071   0.889   3.108
  172   HD22  LEU  18          2HD2      LEU  18   9.525   1.000   4.809
  173   HD23  LEU  18          3HD2      LEU  18  10.760   1.120   3.556
  174    H    LYS  19           H        LYS  19   8.945   5.472  -0.303
  175    HA   LYS  19           HA       LYS  19  11.727   5.931  -1.092
  176    HB2  LYS  19           2HB      LYS  19   9.250   5.746  -2.816
  177    HB3  LYS  19           1HB      LYS  19  10.903   5.867  -3.400
  178    HG2  LYS  19           2HG      LYS  19   9.817   3.588  -1.758
  179    HG3  LYS  19           1HG      LYS  19   9.989   3.583  -3.511
  180    HD2  LYS  19           2HD      LYS  19  12.266   3.969  -1.573
  181    HD3  LYS  19           1HD      LYS  19  11.838   2.429  -2.315
  182    HE2  LYS  19           2HE      LYS  19  12.187   3.457  -4.542
  183    HE3  LYS  19           1HE      LYS  19  12.720   4.935  -3.743
  184    HZ1  LYS  19           2HZ      LYS  19  14.012   2.273  -3.524
  185    HZ2  LYS  19           3HZ      LYS  19  14.516   3.671  -2.715
  186    HZ3  LYS  19           1HZ      LYS  19  14.597   3.592  -4.403
  187    H    ILE  20           H        ILE  20   8.584   7.564  -1.106
  188    HA   ILE  20           HA       ILE  20   9.809   9.946  -2.267
  189    HB   ILE  20           HB       ILE  20   6.905   9.473  -1.585
  190   HG12  ILE  20          2HG1      ILE  20   8.349   9.092  -4.216
  191   HG13  ILE  20          1HG1      ILE  20   7.709   7.804  -3.204
  192   HG21  ILE  20          1HG2      ILE  20   8.226  11.491  -3.393
  193   HG22  ILE  20          2HG2      ILE  20   7.496  11.822  -1.822
  194   HG23  ILE  20          3HG2      ILE  20   6.489  11.292  -3.170
  195   HD11  ILE  20          2HD1      ILE  20   6.096   9.930  -4.598
  196   HD12  ILE  20          3HD1      ILE  20   5.443   8.652  -3.573
  197   HD13  ILE  20          1HD1      ILE  20   6.250   8.243  -5.087
  198    H    SER  21           H        SER  21   8.419   8.824   0.734
  199    HA   SER  21           HA       SER  21   8.349  11.548   1.796
  200    HB2  SER  21           2HB      SER  21   6.365  10.080   2.106
  201    HB3  SER  21           1HB      SER  21   7.357   8.978   3.056
  202    HG   SER  21           HG       SER  21   7.761  11.237   4.197
  203    H    ASN  22           H        ASN  22  10.599   9.229   1.508
  204    HA   ASN  22           HA       ASN  22  11.790   9.762   4.140
  205    HB2  ASN  22           2HB      ASN  22  11.490   7.367   3.615
  206    HB3  ASN  22           1HB      ASN  22  12.474   7.571   2.169
  207   HD21  ASN  22          1HD2      ASN  22  12.467   7.404   5.628
  208   HD22  ASN  22          2HD2      ASN  22  14.177   7.237   5.825
  Start of MODEL    6
    1    H1   THR   1           1HT      THR   1 -10.151 -12.321  -2.057
    2    H2   THR   1           2HT      THR   1  -9.201 -11.238  -1.176
    3    H3   THR   1           3HT      THR   1  -9.696 -10.843  -2.743
    4    HA   THR   1           HA       THR   1 -12.035 -10.925  -1.956
    5    HB   THR   1           HB       THR   1 -12.437 -10.781   0.432
    6    HG1  THR   1           1HG      THR   1  -9.718 -11.394   0.974
    7   HG21  THR   1          1HG2      THR   1 -10.653 -13.138  -0.178
    8   HG22  THR   1          2HG2      THR   1 -12.374 -13.033  -0.539
    9   HG23  THR   1          3HG2      THR   1 -11.825 -13.040   1.136
   10    H    ASP   2           H        ASP   2 -12.888  -8.918  -0.550
   11    HA   ASP   2           HA       ASP   2 -11.698  -6.575  -1.552
   12    HB2  ASP   2           2HB      ASP   2 -14.041  -6.629  -0.851
   13    HB3  ASP   2           1HB      ASP   2 -13.553  -6.923   0.816
   14    H    GLU   3           H        GLU   3 -11.425  -8.239   1.524
   15    HA   GLU   3           HA       GLU   3  -9.854  -6.414   2.934
   16    HB2  GLU   3           2HB      GLU   3  -9.751  -9.434   3.057
   17    HB3  GLU   3           1HB      GLU   3  -9.165  -8.332   4.293
   18    HG2  GLU   3           2HG      GLU   3 -11.414  -7.569   4.729
   19    HG3  GLU   3           1HG      GLU   3 -12.036  -8.571   3.418
   20    H    ASP   4           H        ASP   4  -8.970  -8.998   0.702
   21    HA   ASP   4           HA       ASP   4  -6.160  -8.729   1.015
   22    HB2  ASP   4           2HB      ASP   4  -7.766  -9.939  -1.241
   23    HB3  ASP   4           1HB      ASP   4  -6.015 -10.050  -1.094
   24    H    VAL   5           H        VAL   5  -8.517  -7.167  -1.050
   25    HA   VAL   5           HA       VAL   5  -6.584  -5.978  -2.769
   26    HB   VAL   5           HB       VAL   5  -9.460  -5.242  -2.250
   27   HG11  VAL   5          2HG1      VAL   5  -9.273  -3.794  -4.218
   28   HG12  VAL   5          3HG1      VAL   5  -7.545  -4.145  -4.309
   29   HG13  VAL   5          1HG1      VAL   5  -8.193  -3.265  -2.926
   30   HG21  VAL   5          1HG2      VAL   5  -8.046  -6.648  -4.508
   31   HG22  VAL   5          2HG2      VAL   5  -9.744  -6.170  -4.532
   32   HG23  VAL   5          3HG2      VAL   5  -9.180  -7.364  -3.362
   33    H    LYS   6           H        LYS   6  -8.483  -4.726  -0.028
   34    HA   LYS   6           HA       LYS   6  -7.282  -2.235   0.183
   35    HB2  LYS   6           2HB      LYS   6  -9.266  -2.957   1.441
   36    HB3  LYS   6           1HB      LYS   6  -8.274  -4.063   2.377
   37    HG2  LYS   6           2HG      LYS   6  -7.072  -2.223   3.352
   38    HG3  LYS   6           1HG      LYS   6  -7.951  -1.079   2.339
   39    HD2  LYS   6           2HD      LYS   6  -9.232  -2.909   4.367
   40    HD3  LYS   6           1HD      LYS   6  -8.827  -1.216   4.662
   41    HE2  LYS   6           2HE      LYS   6 -10.318  -0.533   2.858
   42    HE3  LYS   6           1HE      LYS   6 -10.697  -2.219   2.517
   43    HZ1  LYS   6           2HZ      LYS   6 -11.306  -0.783   5.038
   44    HZ2  LYS   6           3HZ      LYS   6 -11.655  -2.408   4.727
   45    HZ3  LYS   6           1HZ      LYS   6 -12.420  -1.192   3.836
   46    H    LYS   7           H        LYS   7  -6.260  -5.391   1.168
   47    HA   LYS   7           HA       LYS   7  -4.106  -4.815   2.843
   48    HB2  LYS   7           2HB      LYS   7  -5.113  -7.041   2.528
   49    HB3  LYS   7           1HB      LYS   7  -4.448  -7.103   0.903
   50    HG2  LYS   7           2HG      LYS   7  -2.179  -7.017   1.865
   51    HG3  LYS   7           1HG      LYS   7  -2.896  -7.071   3.479
   52    HD2  LYS   7           2HD      LYS   7  -3.293  -9.163   1.340
   53    HD3  LYS   7           1HD      LYS   7  -2.145  -9.293   2.672
   54    HE2  LYS   7           2HE      LYS   7  -3.922  -9.280   4.283
   55    HE3  LYS   7           1HE      LYS   7  -5.114  -8.925   3.036
   56    HZ1  LYS   7           2HZ      LYS   7  -3.484 -11.384   2.958
   57    HZ2  LYS   7           3HZ      LYS   7  -4.941 -11.060   2.155
   58    HZ3  LYS   7           1HZ      LYS   7  -4.930 -11.308   3.829
   59    H    TRP   8           H        TRP   8  -4.028  -5.541  -0.677
   60    HA   TRP   8           HA       TRP   8  -1.266  -4.826  -0.831
   61    HB2  TRP   8           2HB      TRP   8  -1.368  -5.268  -3.150
   62    HB3  TRP   8           1HB      TRP   8  -2.359  -6.477  -2.363
   63    HD1  TRP   8           HD       TRP   8  -4.812  -6.659  -3.100
   64    HE1  TRP   8           1HE      TRP   8  -6.249  -5.534  -4.908
   65    HE3  TRP   8           3HE      TRP   8  -1.692  -2.842  -4.279
   66    HZ2  TRP   8           2HZ      TRP   8  -6.069  -3.292  -6.612
   67    HZ3  TRP   8           3HZ      TRP   8  -2.393  -1.231  -6.012
   68    HH2  TRP   8           HH       TRP   8  -4.534  -1.455  -7.152
   69    H    ARG   9           H        ARG   9  -4.281  -3.179  -1.264
   70    HA   ARG   9           HA       ARG   9  -3.399  -1.048  -2.774
   71    HB2  ARG   9           2HB      ARG   9  -5.675  -1.449  -0.916
   72    HB3  ARG   9           1HB      ARG   9  -5.290   0.204  -1.382
   73    HG2  ARG   9           2HG      ARG   9  -5.463  -0.476  -3.753
   74    HG3  ARG   9           1HG      ARG   9  -5.966  -2.081  -3.219
   75    HD2  ARG   9           2HD      ARG   9  -7.911  -1.129  -2.121
   76    HD3  ARG   9           1HD      ARG   9  -7.393   0.496  -2.568
   77    HE   ARG   9           HE       ARG   9  -7.556  -0.697  -4.954
   78   HH11  ARG   9          1HH1      ARG   9  -9.789  -0.584  -2.266
   79   HH12  ARG   9          2HH1      ARG   9 -11.195  -0.770  -3.263
   80   HH21  ARG   9          1HH2      ARG   9  -9.407  -0.941  -6.271
   81   HH22  ARG   9          2HH2      ARG   9 -10.979  -0.975  -5.538
   82    H    GLU  10           H        GLU  10  -3.536  -1.375   0.752
   83    HA   GLU  10           HA       GLU  10  -2.228   1.129   1.183
   84    HB2  GLU  10           2HB      GLU  10  -2.151   0.493   3.515
   85    HB3  GLU  10           1HB      GLU  10  -3.736   0.142   2.844
   86    HG2  GLU  10           2HG      GLU  10  -3.192  -2.200   2.691
   87    HG3  GLU  10           1HG      GLU  10  -1.554  -1.882   3.255
   88    H    GLU  11           H        GLU  11  -1.216  -2.169   0.730
   89    HA   GLU  11           HA       GLU  11   1.391  -2.043   1.738
   90    HB2  GLU  11           2HB      GLU  11   0.306  -4.139   1.114
   91    HB3  GLU  11           1HB      GLU  11   0.299  -3.651  -0.573
   92    HG2  GLU  11           2HG      GLU  11   2.682  -3.772  -0.688
   93    HG3  GLU  11           1HG      GLU  11   2.794  -4.059   1.049
   94    H    ARG  12           H        ARG  12   0.273  -1.608  -1.619
   95    HA   ARG  12           HA       ARG  12   2.785  -0.842  -2.638
   96    HB2  ARG  12           2HB      ARG  12  -0.031  -0.500  -3.619
   97    HB3  ARG  12           1HB      ARG  12   1.321   0.211  -4.494
   98    HG2  ARG  12           2HG      ARG  12   2.326  -1.984  -4.759
   99    HG3  ARG  12           1HG      ARG  12   1.010  -2.709  -3.832
  100    HD2  ARG  12           2HD      ARG  12   0.688  -3.000  -6.236
  101    HD3  ARG  12           1HD      ARG  12  -0.588  -2.019  -5.526
  102    HE   ARG  12           HE       ARG  12   1.361  -0.279  -6.471
  103   HH11  ARG  12          1HH1      ARG  12  -0.817  -2.684  -7.777
  104   HH12  ARG  12          2HH1      ARG  12  -1.025  -1.865  -9.294
  105   HH21  ARG  12          1HH2      ARG  12   1.091   0.815  -8.455
  106   HH22  ARG  12          2HH2      ARG  12   0.078   0.127  -9.686
  107    H    LYS  13           H        LYS  13   0.238   0.961  -1.078
  108    HA   LYS  13           HA       LYS  13   1.204   3.551  -1.666
  109    HB2  LYS  13           2HB      LYS  13  -0.818   2.372   0.050
  110    HB3  LYS  13           1HB      LYS  13   0.006   3.701   0.852
  111    HG2  LYS  13           2HG      LYS  13  -2.021   4.405  -0.354
  112    HG3  LYS  13           1HG      LYS  13  -0.560   5.203  -0.939
  113    HD2  LYS  13           2HD      LYS  13  -0.460   3.566  -2.796
  114    HD3  LYS  13           1HD      LYS  13  -1.981   2.873  -2.227
  115    HE2  LYS  13           2HE      LYS  13  -3.127   4.957  -2.620
  116    HE3  LYS  13           1HE      LYS  13  -1.610   5.747  -3.053
  117    HZ1  LYS  13           2HZ      LYS  13  -2.967   5.088  -4.986
  118    HZ2  LYS  13           3HZ      LYS  13  -2.792   3.466  -4.541
  119    HZ3  LYS  13           1HZ      LYS  13  -1.435   4.373  -4.985
  120    H    LYS  14           H        LYS  14   1.749   1.372   1.075
  121    HA   LYS  14           HA       LYS  14   3.460   3.017   2.551
  122    HB2  LYS  14           2HB      LYS  14   3.394   0.007   2.313
  123    HB3  LYS  14           1HB      LYS  14   4.336   0.882   3.513
  124    HG2  LYS  14           2HG      LYS  14   2.394   1.704   4.575
  125    HG3  LYS  14           1HG      LYS  14   1.361   1.175   3.246
  126    HD2  LYS  14           2HD      LYS  14   1.898  -1.154   3.763
  127    HD3  LYS  14           1HD      LYS  14   2.914  -0.620   5.104
  128    HE2  LYS  14           2HE      LYS  14   1.005   0.350   6.212
  129    HE3  LYS  14           1HE      LYS  14  -0.028  -0.043   4.839
  130    HZ1  LYS  14           2HZ      LYS  14   0.636  -2.434   5.294
  131    HZ2  LYS  14           3HZ      LYS  14  -0.433  -1.714   6.390
  132    HZ3  LYS  14           1HZ      LYS  14   1.207  -1.892   6.789
  133    H    MET  15           H        MET  15   4.074   0.928  -0.197
  134    HA   MET  15           HA       MET  15   6.854   0.774  -0.052
  135    HB2  MET  15           2HB      MET  15   5.134   0.890  -2.533
  136    HB3  MET  15           1HB      MET  15   6.801   0.346  -2.479
  137    HG2  MET  15           2HG      MET  15   4.486  -0.974  -1.079
  138    HG3  MET  15           1HG      MET  15   5.192  -1.498  -2.602
  139    HE1  MET  15           2HE      MET  15   5.107  -1.972   1.120
  140    HE2  MET  15           3HE      MET  15   6.251  -0.631   1.147
  141    HE3  MET  15           1HE      MET  15   6.777  -2.245   1.619
  142    H    TRP  16           H        TRP  16   4.831   3.164  -1.775
  143    HA   TRP  16           HA       TRP  16   7.175   4.643  -2.549
  144    HB2  TRP  16           2HB      TRP  16   5.714   6.122  -3.726
  145    HB3  TRP  16           1HB      TRP  16   5.152   4.483  -3.986
  146    HD1  TRP  16           HD       TRP  16   2.707   3.896  -3.245
  147    HE1  TRP  16           1HE      TRP  16   0.755   5.306  -2.351
  148    HE3  TRP  16           3HE      TRP  16   5.234   8.199  -2.162
  149    HZ2  TRP  16           2HZ      TRP  16   0.339   7.894  -1.317
  150    HZ3  TRP  16           3HZ      TRP  16   3.981  10.094  -1.220
  151    HH2  TRP  16           HH       TRP  16   1.591   9.934  -0.802
  152    H    LEU  17           H        LEU  17   4.825   4.804   0.009
  153    HA   LEU  17           HA       LEU  17   5.162   7.486   0.780
  154    HB2  LEU  17           2HB      LEU  17   4.320   5.009   2.247
  155    HB3  LEU  17           1HB      LEU  17   4.516   6.525   3.105
  156    HG   LEU  17           HG       LEU  17   2.704   6.227   0.712
  157   HD11  LEU  17          2HD1      LEU  17   0.855   6.086   2.318
  158   HD12  LEU  17          3HD1      LEU  17   2.013   6.005   3.644
  159   HD13  LEU  17          1HD1      LEU  17   1.940   4.704   2.456
  160   HD21  LEU  17          1HD2      LEU  17   2.919   8.289   2.905
  161   HD22  LEU  17          2HD2      LEU  17   1.683   8.264   1.648
  162   HD23  LEU  17          3HD2      LEU  17   3.376   8.502   1.214
  163    H    LEU  18           H        LEU  18   6.859   4.542   1.735
  164    HA   LEU  18           HA       LEU  18   8.595   5.821   3.590
  165    HB2  LEU  18           2HB      LEU  18   8.513   3.155   2.240
  166    HB3  LEU  18           1HB      LEU  18   9.966   3.638   3.090
  167    HG   LEU  18           HG       LEU  18   8.743   3.802   5.185
  168   HD11  LEU  18          2HD1      LEU  18   6.305   2.948   3.623
  169   HD12  LEU  18          3HD1      LEU  18   6.575   4.548   4.315
  170   HD13  LEU  18          1HD1      LEU  18   6.406   3.148   5.373
  171   HD21  LEU  18          1HD2      LEU  18   9.665   1.646   4.546
  172   HD22  LEU  18          2HD2      LEU  18   8.162   1.242   3.713
  173   HD23  LEU  18          3HD2      LEU  18   8.173   1.446   5.464
  174    H    LYS  19           H        LYS  19   8.618   5.400   0.153
  175    HA   LYS  19           HA       LYS  19  11.462   5.872  -0.100
  176    HB2  LYS  19           2HB      LYS  19   9.306   5.575  -2.191
  177    HB3  LYS  19           1HB      LYS  19  11.018   5.760  -2.542
  178    HG2  LYS  19           2HG      LYS  19  11.494   3.688  -1.351
  179    HG3  LYS  19           1HG      LYS  19   9.776   3.501  -0.993
  180    HD2  LYS  19           2HD      LYS  19   9.352   3.503  -3.460
  181    HD3  LYS  19           1HD      LYS  19  11.098   3.465  -3.703
  182    HE2  LYS  19           2HE      LYS  19   9.455   1.405  -2.238
  183    HE3  LYS  19           1HE      LYS  19  10.147   1.227  -3.848
  184    HZ1  LYS  19           2HZ      LYS  19  12.354   1.428  -2.870
  185    HZ2  LYS  19           3HZ      LYS  19  11.504   0.134  -2.195
  186    HZ3  LYS  19           1HZ      LYS  19  11.675   1.574  -1.327
  187    H    ILE  20           H        ILE  20   8.861   7.843   0.438
  188    HA   ILE  20           HA       ILE  20   9.375  10.038  -1.237
  189    HB   ILE  20           HB       ILE  20   8.228   9.953   1.556
  190   HG12  ILE  20          2HG1      ILE  20   6.897   8.804  -0.158
  191   HG13  ILE  20          1HG1      ILE  20   6.081  10.258   0.410
  192   HG21  ILE  20          1HG2      ILE  20   8.278  12.267  -0.376
  193   HG22  ILE  20          2HG2      ILE  20   9.153  12.167   1.152
  194   HG23  ILE  20          3HG2      ILE  20   7.390  12.219   1.147
  195   HD11  ILE  20          2HD1      ILE  20   7.573   9.915  -2.181
  196   HD12  ILE  20          3HD1      ILE  20   6.905  11.441  -1.605
  197   HD13  ILE  20          1HD1      ILE  20   5.832  10.089  -1.966
  198    H    SER  21           H        SER  21  10.837   8.985   1.762
  199    HA   SER  21           HA       SER  21  12.469  11.357   2.012
  200    HB2  SER  21           2HB      SER  21  12.716   8.759   3.536
  201    HB3  SER  21           1HB      SER  21  13.304  10.349   4.021
  202    HG   SER  21           HG       SER  21  11.131   9.400   4.816
  203    H    ASN  22           H        ASN  22  12.606   8.654   0.095
  204    HA   ASN  22           HA       ASN  22  15.529   8.435   0.191
  205    HB2  ASN  22           2HB      ASN  22  14.303   6.325   0.430
  206    HB3  ASN  22           1HB      ASN  22  13.477   6.618  -1.095
  207   HD21  ASN  22          1HD2      ASN  22  16.507   5.786   0.411
  208   HD22  ASN  22          2HD2      ASN  22  17.269   5.182  -1.019
  Start of MODEL    7
    1    H1   THR   1           1HT      THR   1 -10.949 -10.622  -1.390
    2    H2   THR   1           2HT      THR   1 -11.033 -10.104  -3.002
    3    H3   THR   1           3HT      THR   1 -12.048 -11.343  -2.459
    4    HA   THR   1           HA       THR   1 -13.266  -9.296  -2.670
    5    HB   THR   1           HB       THR   1 -13.065  -9.523   0.278
    6    HG1  THR   1           1HG      THR   1 -13.241 -11.646   0.366
    7   HG21  THR   1          1HG2      THR   1 -15.476  -9.909   0.052
    8   HG22  THR   1          2HG2      THR   1 -15.304  -9.979  -1.700
    9   HG23  THR   1          3HG2      THR   1 -14.982  -8.475  -0.843
   10    H    ASP   2           H        ASP   2 -13.634  -7.380  -0.707
   11    HA   ASP   2           HA       ASP   2 -11.855  -5.411  -1.580
   12    HB2  ASP   2           2HB      ASP   2 -14.080  -4.843  -0.816
   13    HB3  ASP   2           1HB      ASP   2 -13.706  -5.413   0.808
   14    H    GLU   3           H        GLU   3 -11.876  -7.296   1.412
   15    HA   GLU   3           HA       GLU   3  -9.854  -5.875   2.746
   16    HB2  GLU   3           2HB      GLU   3 -10.546  -8.801   2.982
   17    HB3  GLU   3           1HB      GLU   3  -9.609  -7.872   4.142
   18    HG2  GLU   3           2HG      GLU   3 -11.589  -6.416   4.480
   19    HG3  GLU   3           1HG      GLU   3 -12.506  -7.503   3.440
   20    H    ASP   4           H        ASP   4  -9.714  -8.422   0.350
   21    HA   ASP   4           HA       ASP   4  -6.948  -9.002   0.599
   22    HB2  ASP   4           2HB      ASP   4  -8.727  -9.270  -1.834
   23    HB3  ASP   4           1HB      ASP   4  -7.166 -10.050  -1.604
   24    H    VAL   5           H        VAL   5  -8.819  -6.669  -1.202
   25    HA   VAL   5           HA       VAL   5  -6.639  -5.614  -2.696
   26    HB   VAL   5           HB       VAL   5  -9.355  -4.469  -2.051
   27   HG11  VAL   5          2HG1      VAL   5  -7.234  -3.410  -3.918
   28   HG12  VAL   5          3HG1      VAL   5  -7.798  -2.648  -2.431
   29   HG13  VAL   5          1HG1      VAL   5  -8.890  -2.809  -3.807
   30   HG21  VAL   5          1HG2      VAL   5  -9.415  -6.429  -3.465
   31   HG22  VAL   5          2HG2      VAL   5  -8.193  -5.732  -4.528
   32   HG23  VAL   5          3HG2      VAL   5  -9.793  -4.996  -4.422
   33    H    LYS   6           H        LYS   6  -8.278  -4.680   0.305
   34    HA   LYS   6           HA       LYS   6  -6.843  -2.429   1.011
   35    HB2  LYS   6           2HB      LYS   6  -7.887  -4.696   2.701
   36    HB3  LYS   6           1HB      LYS   6  -7.120  -3.283   3.408
   37    HG2  LYS   6           2HG      LYS   6  -8.839  -1.859   2.403
   38    HG3  LYS   6           1HG      LYS   6  -9.614  -3.294   1.724
   39    HD2  LYS   6           2HD      LYS   6 -10.014  -4.172   3.944
   40    HD3  LYS   6           1HD      LYS   6  -9.133  -2.824   4.665
   41    HE2  LYS   6           2HE      LYS   6 -10.798  -1.265   3.854
   42    HE3  LYS   6           1HE      LYS   6 -11.651  -2.569   3.028
   43    HZ1  LYS   6           2HZ      LYS   6 -12.696  -2.002   5.133
   44    HZ2  LYS   6           3HZ      LYS   6 -11.270  -2.353   5.967
   45    HZ3  LYS   6           1HZ      LYS   6 -12.108  -3.587   5.166
   46    H    LYS   7           H        LYS   7  -5.888  -5.774   1.063
   47    HA   LYS   7           HA       LYS   7  -3.619  -5.560   2.715
   48    HB2  LYS   7           2HB      LYS   7  -4.638  -7.717   2.173
   49    HB3  LYS   7           1HB      LYS   7  -4.197  -7.519   0.482
   50    HG2  LYS   7           2HG      LYS   7  -1.813  -7.517   1.147
   51    HG3  LYS   7           1HG      LYS   7  -2.311  -7.839   2.808
   52    HD2  LYS   7           2HD      LYS   7  -2.926  -9.602   0.438
   53    HD3  LYS   7           1HD      LYS   7  -1.627  -9.881   1.598
   54    HE2  LYS   7           2HE      LYS   7  -3.305 -10.023   3.401
   55    HE3  LYS   7           1HE      LYS   7  -4.581  -9.811   2.205
   56    HZ1  LYS   7           2HZ      LYS   7  -3.848 -11.854   1.127
   57    HZ2  LYS   7           3HZ      LYS   7  -4.278 -12.135   2.738
   58    HZ3  LYS   7           1HZ      LYS   7  -2.647 -12.060   2.298
   59    H    TRP   8           H        TRP   8  -3.832  -5.704  -0.861
   60    HA   TRP   8           HA       TRP   8  -1.050  -5.121  -1.106
   61    HB2  TRP   8           2HB      TRP   8  -1.317  -5.266  -3.442
   62    HB3  TRP   8           1HB      TRP   8  -2.419  -6.457  -2.775
   63    HD1  TRP   8           HD       TRP   8  -4.899  -6.267  -3.426
   64    HE1  TRP   8           1HE      TRP   8  -6.250  -4.716  -4.969
   65    HE3  TRP   8           3HE      TRP   8  -1.398  -2.653  -4.162
   66    HZ2  TRP   8           2HZ      TRP   8  -5.866  -2.262  -6.309
   67    HZ3  TRP   8           3HZ      TRP   8  -1.968  -0.724  -5.583
   68    HH2  TRP   8           HH       TRP   8  -4.160  -0.535  -6.631
   69    H    ARG   9           H        ARG   9  -3.985  -3.231  -1.151
   70    HA   ARG   9           HA       ARG   9  -3.039  -0.974  -2.410
   71    HB2  ARG   9           2HB      ARG   9  -5.219  -1.460  -0.465
   72    HB3  ARG   9           1HB      ARG   9  -4.710   0.208  -0.694
   73    HG2  ARG   9           2HG      ARG   9  -5.061  -0.111  -3.150
   74    HG3  ARG   9           1HG      ARG   9  -5.767  -1.684  -2.780
   75    HD2  ARG   9           2HD      ARG   9  -7.490  -0.636  -1.441
   76    HD3  ARG   9           1HD      ARG   9  -6.753   0.946  -1.684
   77    HE   ARG   9           HE       ARG   9  -7.289  -0.067  -4.207
   78   HH11  ARG   9          1HH1      ARG   9  -9.133   0.829  -1.362
   79   HH12  ARG   9          2HH1      ARG   9 -10.549   1.265  -2.265
   80   HH21  ARG   9          1HH2      ARG   9  -9.152   0.499  -5.388
   81   HH22  ARG   9          2HH2      ARG   9 -10.563   1.066  -4.549
   82    H    GLU  10           H        GLU  10  -3.077  -1.610   1.093
   83    HA   GLU  10           HA       GLU  10  -1.609   0.756   1.656
   84    HB2  GLU  10           2HB      GLU  10  -1.517   0.003   3.929
   85    HB3  GLU  10           1HB      GLU  10  -3.119  -0.311   3.285
   86    HG2  GLU  10           2HG      GLU  10  -2.599  -2.645   3.016
   87    HG3  GLU  10           1HG      GLU  10  -0.941  -2.368   3.546
   88    H    GLU  11           H        GLU  11  -0.755  -2.539   0.937
   89    HA   GLU  11           HA       GLU  11   1.889  -2.561   1.872
   90    HB2  GLU  11           2HB      GLU  11   0.626  -4.557   1.066
   91    HB3  GLU  11           1HB      GLU  11   0.792  -3.956  -0.577
   92    HG2  GLU  11           2HG      GLU  11   2.443  -5.618  -0.263
   93    HG3  GLU  11           1HG      GLU  11   3.267  -4.060  -0.280
   94    H    ARG  12           H        ARG  12   0.632  -1.864  -1.384
   95    HA   ARG  12           HA       ARG  12   3.162  -1.068  -2.400
   96    HB2  ARG  12           2HB      ARG  12   0.373  -0.617  -3.457
   97    HB3  ARG  12           1HB      ARG  12   1.838  -0.235  -4.346
   98    HG2  ARG  12           2HG      ARG  12   2.473  -2.641  -4.185
   99    HG3  ARG  12           1HG      ARG  12   0.892  -2.953  -3.468
  100    HD2  ARG  12           2HD      ARG  12   0.753  -3.449  -5.803
  101    HD3  ARG  12           1HD      ARG  12  -0.151  -1.964  -5.508
  102    HE   ARG  12           HE       ARG  12   2.523  -1.379  -6.260
  103   HH11  ARG  12          1HH1      ARG  12  -0.551  -2.431  -7.580
  104   HH12  ARG  12          2HH1      ARG  12  -0.221  -1.818  -9.169
  105   HH21  ARG  12          1HH2      ARG  12   2.963  -0.587  -8.366
  106   HH22  ARG  12          2HH2      ARG  12   1.769  -0.775  -9.615
  107    H    LYS  13           H        LYS  13   0.524   0.631  -0.840
  108    HA   LYS  13           HA       LYS  13   1.196   3.262  -1.477
  109    HB2  LYS  13           2HB      LYS  13  -0.205   1.951   0.814
  110    HB3  LYS  13           1HB      LYS  13   0.215   3.648   0.935
  111    HG2  LYS  13           2HG      LYS  13  -1.260   2.637  -1.450
  112    HG3  LYS  13           1HG      LYS  13  -2.116   2.967   0.055
  113    HD2  LYS  13           2HD      LYS  13  -1.597   5.248  -0.018
  114    HD3  LYS  13           1HD      LYS  13  -0.301   5.008  -1.190
  115    HE2  LYS  13           2HE      LYS  13  -1.874   4.503  -2.918
  116    HE3  LYS  13           1HE      LYS  13  -3.213   4.507  -1.771
  117    HZ1  LYS  13           2HZ      LYS  13  -1.578   6.840  -2.599
  118    HZ2  LYS  13           3HZ      LYS  13  -2.761   6.886  -1.392
  119    HZ3  LYS  13           1HZ      LYS  13  -3.194   6.550  -2.991
  120    H    LYS  14           H        LYS  14   2.230   1.255   1.252
  121    HA   LYS  14           HA       LYS  14   3.847   3.208   2.467
  122    HB2  LYS  14           2HB      LYS  14   4.026   0.195   2.608
  123    HB3  LYS  14           1HB      LYS  14   4.852   1.307   3.693
  124    HG2  LYS  14           2HG      LYS  14   2.829   2.050   4.640
  125    HG3  LYS  14           1HG      LYS  14   1.870   1.301   3.363
  126    HD2  LYS  14           2HD      LYS  14   2.693  -0.920   4.164
  127    HD3  LYS  14           1HD      LYS  14   3.435  -0.086   5.533
  128    HE2  LYS  14           2HE      LYS  14   1.292   0.697   6.284
  129    HE3  LYS  14           1HE      LYS  14   0.506   0.060   4.841
  130    HZ1  LYS  14           2HZ      LYS  14   1.378  -2.180   5.633
  131    HZ2  LYS  14           3HZ      LYS  14   0.074  -1.512   6.477
  132    HZ3  LYS  14           1HZ      LYS  14   1.640  -1.432   7.124
  133    H    MET  15           H        MET  15   4.414   0.990  -0.149
  134    HA   MET  15           HA       MET  15   7.217   0.998  -0.174
  135    HB2  MET  15           2HB      MET  15   5.288   0.772  -2.489
  136    HB3  MET  15           1HB      MET  15   6.998   0.381  -2.560
  137    HG2  MET  15           2HG      MET  15   4.984  -0.987  -0.799
  138    HG3  MET  15           1HG      MET  15   5.566  -1.598  -2.344
  139    HE1  MET  15           2HE      MET  15   5.619  -3.214   0.423
  140    HE2  MET  15           3HE      MET  15   7.206  -3.974   0.325
  141    HE3  MET  15           1HE      MET  15   6.178  -3.891  -1.106
  142    H    TRP  16           H        TRP  16   4.905   3.070  -1.949
  143    HA   TRP  16           HA       TRP  16   7.065   4.683  -2.959
  144    HB2  TRP  16           2HB      TRP  16   5.407   5.943  -4.148
  145    HB3  TRP  16           1HB      TRP  16   5.020   4.239  -4.286
  146    HD1  TRP  16           HD       TRP  16   2.687   3.433  -3.360
  147    HE1  TRP  16           1HE      TRP  16   0.642   4.684  -2.468
  148    HE3  TRP  16           3HE      TRP  16   4.776   8.046  -2.736
  149    HZ2  TRP  16           2HZ      TRP  16  -0.009   7.288  -1.589
  150    HZ3  TRP  16           3HZ      TRP  16   3.375   9.864  -1.858
  151    HH2  TRP  16           HH       TRP  16   1.042   9.482  -1.290
  152    H    LEU  17           H        LEU  17   4.771   4.869  -0.337
  153    HA   LEU  17           HA       LEU  17   5.031   7.596   0.309
  154    HB2  LEU  17           2HB      LEU  17   4.387   5.150   1.933
  155    HB3  LEU  17           1HB      LEU  17   4.512   6.727   2.688
  156    HG   LEU  17           HG       LEU  17   2.638   6.158   0.395
  157   HD11  LEU  17          2HD1      LEU  17   2.062   4.708   2.277
  158   HD12  LEU  17          3HD1      LEU  17   0.869   5.992   2.086
  159   HD13  LEU  17          1HD1      LEU  17   2.079   6.096   3.364
  160   HD21  LEU  17          1HD2      LEU  17   3.216   8.504   0.755
  161   HD22  LEU  17          2HD2      LEU  17   2.766   8.363   2.454
  162   HD23  LEU  17          3HD2      LEU  17   1.539   8.194   1.201
  163    H    LEU  18           H        LEU  18   6.820   4.736   1.410
  164    HA   LEU  18           HA       LEU  18   8.592   6.193   3.101
  165    HB2  LEU  18           2HB      LEU  18   8.437   3.390   2.091
  166    HB3  LEU  18           1HB      LEU  18   9.932   3.942   2.815
  167    HG   LEU  18           HG       LEU  18   8.862   4.333   4.928
  168   HD11  LEU  18          2HD1      LEU  18   6.484   3.910   5.308
  169   HD12  LEU  18          3HD1      LEU  18   6.258   3.617   3.585
  170   HD13  LEU  18          1HD1      LEU  18   6.726   5.219   4.152
  171   HD21  LEU  18          1HD2      LEU  18   8.093   2.080   5.475
  172   HD22  LEU  18          2HD2      LEU  18   9.529   2.043   4.453
  173   HD23  LEU  18          3HD2      LEU  18   7.942   1.716   3.756
  174    H    LYS  19           H        LYS  19   8.551   5.389  -0.264
  175    HA   LYS  19           HA       LYS  19  11.282   5.766  -0.857
  176    HB2  LYS  19           2HB      LYS  19   9.716   4.762  -2.453
  177    HB3  LYS  19           1HB      LYS  19   8.844   6.281  -2.575
  178    HG2  LYS  19           2HG      LYS  19  10.882   7.332  -3.502
  179    HG3  LYS  19           1HG      LYS  19  11.669   5.755  -3.466
  180    HD2  LYS  19           2HD      LYS  19   9.132   6.365  -4.976
  181    HD3  LYS  19           1HD      LYS  19  10.745   6.364  -5.693
  182    HE2  LYS  19           2HE      LYS  19   9.451   3.999  -4.339
  183    HE3  LYS  19           1HE      LYS  19   9.496   4.263  -6.080
  184    HZ1  LYS  19           2HZ      LYS  19  11.245   2.760  -5.356
  185    HZ2  LYS  19           3HZ      LYS  19  11.873   3.943  -4.326
  186    HZ3  LYS  19           1HZ      LYS  19  11.904   4.177  -6.000
  187    H    ILE  20           H        ILE  20   8.530   7.995  -0.785
  188    HA   ILE  20           HA       ILE  20  10.087  10.305  -1.443
  189    HB   ILE  20           HB       ILE  20   7.352  10.166  -0.155
  190   HG12  ILE  20          2HG1      ILE  20   8.114  10.367  -3.076
  191   HG13  ILE  20          1HG1      ILE  20   7.458   8.936  -2.292
  192   HG21  ILE  20          1HG2      ILE  20   8.707  12.390  -1.678
  193   HG22  ILE  20          2HG2      ILE  20   8.392  12.360   0.057
  194   HG23  ILE  20          3HG2      ILE  20   7.047  12.414  -1.084
  195   HD11  ILE  20          2HD1      ILE  20   5.746  10.087  -3.542
  196   HD12  ILE  20          3HD1      ILE  20   6.055  11.573  -2.641
  197   HD13  ILE  20          1HD1      ILE  20   5.396  10.162  -1.815
  198    H    SER  21           H        SER  21   9.559   8.484   1.363
  199    HA   SER  21           HA       SER  21   9.891  10.548   3.304
  200    HB2  SER  21           2HB      SER  21   8.742   8.315   3.665
  201    HB3  SER  21           1HB      SER  21  10.347   7.587   3.704
  202    HG   SER  21           HG       SER  21  10.831   8.993   5.468
  203    H    ASN  22           H        ASN  22  12.021   9.196   1.144
  204    HA   ASN  22           HA       ASN  22  14.369   9.296   2.836
  205    HB2  ASN  22           2HB      ASN  22  14.063   8.975  -0.158
  206    HB3  ASN  22           1HB      ASN  22  15.613   8.990   0.671
  207   HD21  ASN  22          1HD2      ASN  22  12.757   7.199  -0.023
  208   HD22  ASN  22          2HD2      ASN  22  13.283   5.691   0.644
  Start of MODEL    8
    1    H1   THR   1           1HT      THR   1 -11.122 -11.973  -2.283
    2    H2   THR   1           2HT      THR   1 -10.074 -11.088  -1.298
    3    H3   THR   1           3HT      THR   1 -10.308 -10.632  -2.913
    4    HA   THR   1           HA       THR   1 -12.628 -10.139  -2.447
    5    HB   THR   1           HB       THR   1 -13.144  -9.871   0.049
    6    HG1  THR   1           1HG      THR   1 -11.931 -11.647   1.222
    7   HG21  THR   1          1HG2      THR   1 -14.232 -11.555  -1.356
    8   HG22  THR   1          2HG2      THR   1 -13.913 -12.190   0.259
    9   HG23  THR   1          3HG2      THR   1 -12.878 -12.653  -1.092
   10    H    ASP   2           H        ASP   2 -13.195  -8.153  -0.745
   11    HA   ASP   2           HA       ASP   2 -11.481  -6.086  -1.628
   12    HB2  ASP   2           2HB      ASP   2 -13.950  -5.886  -1.039
   13    HB3  ASP   2           1HB      ASP   2 -13.445  -5.850   0.648
   14    H    GLU   3           H        GLU   3 -11.668  -7.951   1.328
   15    HA   GLU   3           HA       GLU   3  -9.937  -6.446   2.937
   16    HB2  GLU   3           2HB      GLU   3 -10.291  -9.446   2.810
   17    HB3  GLU   3           1HB      GLU   3  -9.452  -8.588   4.094
   18    HG2  GLU   3           2HG      GLU   3 -11.553  -7.383   4.596
   19    HG3  GLU   3           1HG      GLU   3 -12.367  -8.382   3.393
   20    H    ASP   4           H        ASP   4  -9.280  -8.951   0.528
   21    HA   ASP   4           HA       ASP   4  -6.467  -8.991   0.828
   22    HB2  ASP   4           2HB      ASP   4  -8.158  -9.614  -1.604
   23    HB3  ASP   4           1HB      ASP   4  -6.441  -9.969  -1.462
   24    H    VAL   5           H        VAL   5  -8.660  -7.012  -1.044
   25    HA   VAL   5           HA       VAL   5  -6.712  -5.669  -2.574
   26    HB   VAL   5           HB       VAL   5  -9.497  -4.833  -1.782
   27   HG11  VAL   5          2HG1      VAL   5  -8.138  -2.869  -2.255
   28   HG12  VAL   5          3HG1      VAL   5  -9.318  -3.139  -3.538
   29   HG13  VAL   5          1HG1      VAL   5  -7.626  -3.577  -3.786
   30   HG21  VAL   5          1HG2      VAL   5  -9.998  -5.430  -4.126
   31   HG22  VAL   5          2HG2      VAL   5  -9.415  -6.801  -3.182
   32   HG23  VAL   5          3HG2      VAL   5  -8.333  -5.986  -4.311
   33    H    LYS   6           H        LYS   6  -8.347  -4.814   0.454
   34    HA   LYS   6           HA       LYS   6  -7.121  -2.380   0.957
   35    HB2  LYS   6           2HB      LYS   6  -7.914  -4.563   2.885
   36    HB3  LYS   6           1HB      LYS   6  -7.435  -2.949   3.385
   37    HG2  LYS   6           2HG      LYS   6  -9.340  -2.072   1.999
   38    HG3  LYS   6           1HG      LYS   6  -9.866  -3.748   1.810
   39    HD2  LYS   6           2HD      LYS   6  -9.967  -3.958   4.268
   40    HD3  LYS   6           1HD      LYS   6  -9.521  -2.260   4.415
   41    HE2  LYS   6           2HE      LYS   6 -11.862  -2.328   4.649
   42    HE3  LYS   6           1HE      LYS   6 -11.565  -1.747   3.011
   43    HZ1  LYS   6           2HZ      LYS   6 -13.329  -3.495   3.265
   44    HZ2  LYS   6           3HZ      LYS   6 -12.099  -4.594   3.619
   45    HZ3  LYS   6           1HZ      LYS   6 -12.138  -3.825   2.108
   46    H    LYS   7           H        LYS   7  -5.920  -5.621   1.295
   47    HA   LYS   7           HA       LYS   7  -3.682  -5.068   2.922
   48    HB2  LYS   7           2HB      LYS   7  -4.610  -7.323   2.633
   49    HB3  LYS   7           1HB      LYS   7  -4.117  -7.311   0.944
   50    HG2  LYS   7           2HG      LYS   7  -1.785  -7.218   1.599
   51    HG3  LYS   7           1HG      LYS   7  -2.246  -7.150   3.300
   52    HD2  LYS   7           2HD      LYS   7  -2.910  -9.424   1.433
   53    HD3  LYS   7           1HD      LYS   7  -1.543  -9.412   2.549
   54    HE2  LYS   7           2HE      LYS   7  -3.136  -9.112   4.423
   55    HE3  LYS   7           1HE      LYS   7  -4.466  -9.254   3.277
   56    HZ1  LYS   7           2HZ      LYS   7  -3.771 -11.489   2.763
   57    HZ2  LYS   7           3HZ      LYS   7  -3.990 -11.342   4.430
   58    HZ3  LYS   7           1HZ      LYS   7  -2.431 -11.355   3.783
   59    H    TRP   8           H        TRP   8  -3.925  -5.571  -0.623
   60    HA   TRP   8           HA       TRP   8  -1.160  -4.942  -0.975
   61    HB2  TRP   8           2HB      TRP   8  -1.478  -5.273  -3.293
   62    HB3  TRP   8           1HB      TRP   8  -2.489  -6.458  -2.491
   63    HD1  TRP   8           HD       TRP   8  -4.982  -6.467  -3.055
   64    HE1  TRP   8           1HE      TRP   8  -6.484  -5.128  -4.657
   65    HE3  TRP   8           3HE      TRP   8  -1.737  -2.738  -4.228
   66    HZ2  TRP   8           2HZ      TRP   8  -6.302  -2.782  -6.205
   67    HZ3  TRP   8           3HZ      TRP   8  -2.475  -0.970  -5.778
   68    HH2  TRP   8           HH       TRP   8  -4.713  -0.994  -6.745
   69    H    ARG   9           H        ARG   9  -4.147  -3.166  -1.083
   70    HA   ARG   9           HA       ARG   9  -3.376  -0.996  -2.593
   71    HB2  ARG   9           2HB      ARG   9  -5.393  -1.404  -0.462
   72    HB3  ARG   9           1HB      ARG   9  -4.987   0.256  -0.869
   73    HG2  ARG   9           2HG      ARG   9  -5.528  -0.248  -3.237
   74    HG3  ARG   9           1HG      ARG   9  -6.062  -1.853  -2.728
   75    HD2  ARG   9           2HD      ARG   9  -7.776  -0.905  -1.342
   76    HD3  ARG   9           1HD      ARG   9  -7.176   0.725  -1.636
   77    HE   ARG   9           HE       ARG   9  -7.869  -0.537  -4.077
   78   HH11  ARG   9          1HH1      ARG   9  -9.299   0.948  -1.247
   79   HH12  ARG   9          2HH1      ARG   9 -10.733   1.448  -2.082
   80   HH21  ARG   9          1HH2      ARG   9  -9.749   0.147  -5.178
   81   HH22  ARG   9          2HH2      ARG   9 -10.992   0.990  -4.305
   82    H    GLU  10           H        GLU  10  -3.202  -1.363   0.920
   83    HA   GLU  10           HA       GLU  10  -1.815   1.104   1.258
   84    HB2  GLU  10           2HB      GLU  10  -1.621   0.439   3.597
   85    HB3  GLU  10           1HB      GLU  10  -3.259   0.205   3.000
   86    HG2  GLU  10           2HG      GLU  10  -2.841  -2.175   2.752
   87    HG3  GLU  10           1HG      GLU  10  -1.191  -1.950   3.326
   88    H    GLU  11           H        GLU  11  -0.884  -2.235   0.819
   89    HA   GLU  11           HA       GLU  11   1.780  -2.112   1.662
   90    HB2  GLU  11           2HB      GLU  11   0.715  -4.227   1.096
   91    HB3  GLU  11           1HB      GLU  11   0.541  -3.722  -0.579
   92    HG2  GLU  11           2HG      GLU  11   2.966  -3.687  -0.829
   93    HG3  GLU  11           1HG      GLU  11   3.148  -4.186   0.852
   94    H    ARG  12           H        ARG  12   0.399  -1.602  -1.567
   95    HA   ARG  12           HA       ARG  12   2.828  -0.798  -2.773
   96    HB2  ARG  12           2HB      ARG  12  -0.062  -0.525  -3.527
   97    HB3  ARG  12           1HB      ARG  12   1.196   0.229  -4.497
   98    HG2  ARG  12           2HG      ARG  12   2.245  -1.982  -4.794
   99    HG3  ARG  12           1HG      ARG  12   0.915  -2.707  -3.888
  100    HD2  ARG  12           2HD      ARG  12   0.625  -2.885  -6.333
  101    HD3  ARG  12           1HD      ARG  12  -0.673  -1.985  -5.550
  102    HE   ARG  12           HE       ARG  12   1.315  -0.193  -6.428
  103   HH11  ARG  12          1HH1      ARG  12  -1.150  -2.314  -7.714
  104   HH12  ARG  12          2HH1      ARG  12  -1.469  -1.320  -9.098
  105   HH21  ARG  12          1HH2      ARG  12   0.910   1.120  -8.258
  106   HH22  ARG  12          2HH2      ARG  12  -0.295   0.636  -9.409
  107    H    LYS  13           H        LYS  13   0.312   0.945  -1.056
  108    HA   LYS  13           HA       LYS  13   1.146   3.543  -1.716
  109    HB2  LYS  13           2HB      LYS  13  -0.386   2.381   0.591
  110    HB3  LYS  13           1HB      LYS  13   0.006   4.089   0.522
  111    HG2  LYS  13           2HG      LYS  13  -1.673   2.528  -1.421
  112    HG3  LYS  13           1HG      LYS  13  -2.205   3.805  -0.324
  113    HD2  LYS  13           2HD      LYS  13  -0.650   5.350  -1.534
  114    HD3  LYS  13           1HD      LYS  13  -0.400   4.065  -2.715
  115    HE2  LYS  13           2HE      LYS  13  -2.965   5.493  -2.077
  116    HE3  LYS  13           1HE      LYS  13  -2.021   5.582  -3.562
  117    HZ1  LYS  13           2HZ      LYS  13  -2.487   3.202  -3.906
  118    HZ2  LYS  13           3HZ      LYS  13  -3.889   4.145  -3.902
  119    HZ3  LYS  13           1HZ      LYS  13  -3.495   3.210  -2.549
  120    H    LYS  14           H        LYS  14   1.948   1.445   1.018
  121    HA   LYS  14           HA       LYS  14   3.657   3.195   2.377
  122    HB2  LYS  14           2HB      LYS  14   3.771   0.176   2.203
  123    HB3  LYS  14           1HB      LYS  14   4.642   1.147   3.382
  124    HG2  LYS  14           2HG      LYS  14   2.671   1.777   4.478
  125    HG3  LYS  14           1HG      LYS  14   1.656   1.245   3.135
  126    HD2  LYS  14           2HD      LYS  14   2.458  -1.088   3.580
  127    HD3  LYS  14           1HD      LYS  14   3.234  -0.476   5.042
  128    HE2  LYS  14           2HE      LYS  14   1.120   0.206   5.945
  129    HE3  LYS  14           1HE      LYS  14   0.296  -0.188   4.438
  130    HZ1  LYS  14           2HZ      LYS  14  -0.113  -1.957   5.916
  131    HZ2  LYS  14           3HZ      LYS  14   1.514  -2.069   6.379
  132    HZ3  LYS  14           1HZ      LYS  14   1.038  -2.539   4.823
  133    H    MET  15           H        MET  15   4.189   1.097  -0.371
  134    HA   MET  15           HA       MET  15   6.979   1.022  -0.353
  135    HB2  MET  15           2HB      MET  15   5.041   0.877  -2.661
  136    HB3  MET  15           1HB      MET  15   6.767   0.586  -2.822
  137    HG2  MET  15           2HG      MET  15   4.865  -0.984  -1.100
  138    HG3  MET  15           1HG      MET  15   5.517  -1.491  -2.657
  139    HE1  MET  15           2HE      MET  15   5.684  -3.217   0.067
  140    HE2  MET  15           3HE      MET  15   7.324  -3.848  -0.090
  141    HE3  MET  15           1HE      MET  15   6.272  -3.766  -1.503
  142    H    TRP  16           H        TRP  16   4.808   3.271  -2.082
  143    HA   TRP  16           HA       TRP  16   7.075   4.787  -3.002
  144    HB2  TRP  16           2HB      TRP  16   5.531   6.163  -4.187
  145    HB3  TRP  16           1HB      TRP  16   4.979   4.506  -4.341
  146    HD1  TRP  16           HD       TRP  16   2.558   3.931  -3.417
  147    HE1  TRP  16           1HE      TRP  16   0.659   5.389  -2.525
  148    HE3  TRP  16           3HE      TRP  16   5.098   8.326  -2.744
  149    HZ2  TRP  16           2HZ      TRP  16   0.254   8.009  -1.639
  150    HZ3  TRP  16           3HZ      TRP  16   3.866  10.262  -1.861
  151    HH2  TRP  16           HH       TRP  16   1.493  10.091  -1.316
  152    H    LEU  17           H        LEU  17   4.724   5.047  -0.415
  153    HA   LEU  17           HA       LEU  17   5.110   7.737   0.292
  154    HB2  LEU  17           2HB      LEU  17   4.267   5.297   1.822
  155    HB3  LEU  17           1HB      LEU  17   4.479   6.828   2.647
  156    HG   LEU  17           HG       LEU  17   2.625   6.479   0.292
  157   HD11  LEU  17          2HD1      LEU  17   0.813   6.366   1.937
  158   HD12  LEU  17          3HD1      LEU  17   1.996   6.334   3.243
  159   HD13  LEU  17          1HD1      LEU  17   1.911   4.995   2.098
  160   HD21  LEU  17          1HD2      LEU  17   2.812   8.579   2.453
  161   HD22  LEU  17          2HD2      LEU  17   1.643   8.545   1.134
  162   HD23  LEU  17          3HD2      LEU  17   3.357   8.768   0.787
  163    H    LEU  18           H        LEU  18   6.634   4.786   1.517
  164    HA   LEU  18           HA       LEU  18   8.423   6.152   3.264
  165    HB2  LEU  18           2HB      LEU  18   8.151   3.327   2.296
  166    HB3  LEU  18           1HB      LEU  18   9.569   3.812   3.202
  167    HG   LEU  18           HG       LEU  18   8.254   4.304   5.153
  168   HD11  LEU  18          2HD1      LEU  18   5.819   3.721   3.471
  169   HD12  LEU  18          3HD1      LEU  18   6.292   5.293   4.115
  170   HD13  LEU  18          1HD1      LEU  18   5.823   3.996   5.213
  171   HD21  LEU  18          1HD2      LEU  18   7.296   2.111   5.625
  172   HD22  LEU  18          2HD2      LEU  18   8.844   1.968   4.791
  173   HD23  LEU  18          3HD2      LEU  18   7.338   1.719   3.906
  174    H    LYS  19           H        LYS  19   8.518   5.179  -0.060
  175    HA   LYS  19           HA       LYS  19  11.312   5.184  -0.448
  176    HB2  LYS  19           2HB      LYS  19   9.557   4.276  -2.029
  177    HB3  LYS  19           1HB      LYS  19   9.215   5.936  -2.488
  178    HG2  LYS  19           2HG      LYS  19  10.651   5.022  -4.136
  179    HG3  LYS  19           1HG      LYS  19  11.605   6.157  -3.180
  180    HD2  LYS  19           2HD      LYS  19  12.913   4.179  -3.563
  181    HD3  LYS  19           1HD      LYS  19  12.462   4.237  -1.860
  182    HE2  LYS  19           2HE      LYS  19  10.676   2.641  -2.256
  183    HE3  LYS  19           1HE      LYS  19  11.051   2.622  -3.978
  184    HZ1  LYS  19           2HZ      LYS  19  11.995   0.714  -2.860
  185    HZ2  LYS  19           3HZ      LYS  19  12.852   1.712  -1.799
  186    HZ3  LYS  19           1HZ      LYS  19  13.227   1.710  -3.446
  187    H    ILE  20           H        ILE  20   8.919   7.715  -0.318
  188    HA   ILE  20           HA       ILE  20  10.626   9.751  -1.407
  189    HB   ILE  20           HB       ILE  20   8.011   9.981   0.086
  190   HG12  ILE  20          2HG1      ILE  20   8.645  10.101  -2.869
  191   HG13  ILE  20          1HG1      ILE  20   7.832   8.777  -2.042
  192   HG21  ILE  20          1HG2      ILE  20   7.897  12.257  -0.831
  193   HG22  ILE  20          2HG2      ILE  20   9.528  12.067  -1.475
  194   HG23  ILE  20          3HG2      ILE  20   9.262  12.051   0.269
  195   HD11  ILE  20          2HD1      ILE  20   5.984  10.273  -1.486
  196   HD12  ILE  20          3HD1      ILE  20   6.243  10.160  -3.225
  197   HD13  ILE  20          1HD1      ILE  20   6.795  11.582  -2.342
  198    H    SER  21           H        SER  21   9.646   8.707   1.813
  199    HA   SER  21           HA       SER  21  10.823  10.945   3.133
  200    HB2  SER  21           2HB      SER  21  10.454   9.445   5.198
  201    HB3  SER  21           1HB      SER  21   9.034   9.977   4.297
  202    HG   SER  21           HG       SER  21   8.662   7.878   4.421
  203    H    ASN  22           H        ASN  22  11.948   7.765   2.221
  204    HA   ASN  22           HA       ASN  22  14.401   8.080   3.765
  205    HB2  ASN  22           2HB      ASN  22  13.392   5.845   1.997
  206    HB3  ASN  22           1HB      ASN  22  14.994   5.847   2.724
  207   HD21  ASN  22          1HD2      ASN  22  11.601   5.519   3.272
  208   HD22  ASN  22          2HD2      ASN  22  11.707   4.942   4.902
  Start of MODEL    9
    1    H1   THR   1           1HT      THR   1 -10.209 -10.857  -2.619
    2    H2   THR   1           2HT      THR   1 -10.838 -10.062  -3.978
    3    H3   THR   1           3HT      THR   1 -11.451 -11.571  -3.522
    4    HA   THR   1           HA       THR   1 -12.976  -9.846  -2.888
    5    HB   THR   1           HB       THR   1 -11.567 -10.922  -0.434
    6    HG1  THR   1           1HG      THR   1 -13.487 -12.248  -2.088
    7   HG21  THR   1          1HG2      THR   1 -14.485 -10.379  -1.006
    8   HG22  THR   1          2HG2      THR   1 -13.438  -9.420   0.042
    9   HG23  THR   1          3HG2      THR   1 -13.840 -11.080   0.479
   10    H    ASP   2           H        ASP   2 -13.326  -8.086  -1.127
   11    HA   ASP   2           HA       ASP   2 -11.704  -5.927  -1.766
   12    HB2  ASP   2           2HB      ASP   2 -13.992  -5.695  -0.889
   13    HB3  ASP   2           1HB      ASP   2 -13.432  -6.225   0.695
   14    H    GLU   3           H        GLU   3 -11.582  -8.009   1.098
   15    HA   GLU   3           HA       GLU   3  -9.659  -6.678   2.580
   16    HB2  GLU   3           2HB      GLU   3 -10.456  -9.542   2.335
   17    HB3  GLU   3           1HB      GLU   3  -9.021  -9.141   3.266
   18    HG2  GLU   3           2HG      GLU   3 -11.073  -9.355   4.620
   19    HG3  GLU   3           1HG      GLU   3 -10.284  -7.787   4.764
   20    H    ASP   4           H        ASP   4  -9.229  -8.838  -0.157
   21    HA   ASP   4           HA       ASP   4  -6.420  -9.119   0.036
   22    HB2  ASP   4           2HB      ASP   4  -8.147  -9.243  -2.451
   23    HB3  ASP   4           1HB      ASP   4  -6.511  -9.874  -2.293
   24    H    VAL   5           H        VAL   5  -8.510  -6.892  -1.727
   25    HA   VAL   5           HA       VAL   5  -6.434  -5.414  -2.951
   26    HB   VAL   5           HB       VAL   5  -9.278  -4.618  -2.329
   27   HG11  VAL   5          2HG1      VAL   5  -7.834  -2.659  -2.604
   28   HG12  VAL   5          3HG1      VAL   5  -8.958  -2.826  -3.955
   29   HG13  VAL   5          1HG1      VAL   5  -7.268  -3.294  -4.148
   30   HG21  VAL   5          1HG2      VAL   5  -7.950  -5.686  -4.811
   31   HG22  VAL   5          2HG2      VAL   5  -9.597  -5.062  -4.747
   32   HG23  VAL   5          3HG2      VAL   5  -9.164  -6.500  -3.822
   33    H    LYS   6           H        LYS   6  -8.410  -4.859  -0.094
   34    HA   LYS   6           HA       LYS   6  -7.370  -2.512   0.869
   35    HB2  LYS   6           2HB      LYS   6  -9.308  -3.778   1.755
   36    HB3  LYS   6           1HB      LYS   6  -8.210  -4.976   2.412
   37    HG2  LYS   6           2HG      LYS   6  -7.246  -3.241   3.864
   38    HG3  LYS   6           1HG      LYS   6  -8.443  -2.103   3.244
   39    HD2  LYS   6           2HD      LYS   6  -9.089  -4.700   4.645
   40    HD3  LYS   6           1HD      LYS   6  -9.102  -3.111   5.412
   41    HE2  LYS   6           2HE      LYS   6 -10.880  -2.370   3.976
   42    HE3  LYS   6           1HE      LYS   6 -10.793  -3.851   3.027
   43    HZ1  LYS   6           2HZ      LYS   6 -12.630  -3.714   4.718
   44    HZ2  LYS   6           3HZ      LYS   6 -11.444  -3.856   5.914
   45    HZ3  LYS   6           1HZ      LYS   6 -11.667  -5.107   4.793
   46    H    LYS   7           H        LYS   7  -6.050  -5.722   0.937
   47    HA   LYS   7           HA       LYS   7  -4.008  -5.273   2.858
   48    HB2  LYS   7           2HB      LYS   7  -4.902  -7.500   2.254
   49    HB3  LYS   7           1HB      LYS   7  -4.165  -7.345   0.666
   50    HG2  LYS   7           2HG      LYS   7  -1.948  -7.211   1.752
   51    HG3  LYS   7           1HG      LYS   7  -2.731  -7.494   3.307
   52    HD2  LYS   7           2HD      LYS   7  -2.846  -9.357   0.941
   53    HD3  LYS   7           1HD      LYS   7  -1.781  -9.552   2.332
   54    HE2  LYS   7           2HE      LYS   7  -3.707  -9.764   3.802
   55    HE3  LYS   7           1HE      LYS   7  -4.796  -9.495   2.441
   56    HZ1  LYS   7           2HZ      LYS   7  -2.930 -11.785   2.729
   57    HZ2  LYS   7           3HZ      LYS   7  -3.977 -11.526   1.430
   58    HZ3  LYS   7           1HZ      LYS   7  -4.603 -11.840   2.970
   59    H    TRP   8           H        TRP   8  -3.904  -5.497  -0.727
   60    HA   TRP   8           HA       TRP   8  -1.138  -4.797  -0.770
   61    HB2  TRP   8           2HB      TRP   8  -1.237  -4.899  -3.125
   62    HB3  TRP   8           1HB      TRP   8  -2.326  -6.147  -2.554
   63    HD1  TRP   8           HD       TRP   8  -4.734  -6.085  -3.397
   64    HE1  TRP   8           1HE      TRP   8  -6.081  -4.554  -4.967
   65    HE3  TRP   8           3HE      TRP   8  -1.428  -2.236  -3.774
   66    HZ2  TRP   8           2HZ      TRP   8  -5.775  -2.038  -6.193
   67    HZ3  TRP   8           3HZ      TRP   8  -2.024  -0.295  -5.168
   68    HH2  TRP   8           HH       TRP   8  -4.156  -0.200  -6.350
   69    H    ARG   9           H        ARG   9  -4.124  -3.053  -0.929
   70    HA   ARG   9           HA       ARG   9  -3.351  -0.711  -2.121
   71    HB2  ARG   9           2HB      ARG   9  -5.421  -1.463  -0.154
   72    HB3  ARG   9           1HB      ARG   9  -5.058   0.251  -0.278
   73    HG2  ARG   9           2HG      ARG   9  -5.574   0.202  -2.654
   74    HG3  ARG   9           1HG      ARG   9  -5.890  -1.534  -2.555
   75    HD2  ARG   9           2HD      ARG   9  -7.954  -0.167  -2.493
   76    HD3  ARG   9           1HD      ARG   9  -7.735  -1.158  -1.050
   77    HE   ARG   9           HE       ARG   9  -6.840   1.628  -0.980
   78   HH11  ARG   9          1HH1      ARG   9  -9.145  -0.809   0.031
   79   HH12  ARG   9          2HH1      ARG   9  -9.775   0.146   1.332
   80   HH21  ARG   9          1HH2      ARG   9  -7.660   2.884   0.734
   81   HH22  ARG   9          2HH2      ARG   9  -8.931   2.248   1.734
   82    H    GLU  10           H        GLU  10  -3.314  -1.440   1.338
   83    HA   GLU  10           HA       GLU  10  -1.971   0.981   2.020
   84    HB2  GLU  10           2HB      GLU  10  -1.849  -0.011   4.270
   85    HB3  GLU  10           1HB      GLU  10  -3.466  -0.087   3.582
   86    HG2  GLU  10           2HG      GLU  10  -3.191  -2.412   3.057
   87    HG3  GLU  10           1HG      GLU  10  -1.509  -2.370   3.585
   88    H    GLU  11           H        GLU  11  -1.000  -2.265   1.247
   89    HA   GLU  11           HA       GLU  11   1.617  -2.258   2.245
   90    HB2  GLU  11           2HB      GLU  11   0.502  -4.281   1.466
   91    HB3  GLU  11           1HB      GLU  11   0.453  -3.648  -0.171
   92    HG2  GLU  11           2HG      GLU  11   2.926  -3.663  -0.199
   93    HG3  GLU  11           1HG      GLU  11   2.899  -4.430   1.389
   94    H    ARG  12           H        ARG  12   0.473  -1.611  -1.064
   95    HA   ARG  12           HA       ARG  12   2.983  -0.677  -1.986
   96    HB2  ARG  12           2HB      ARG  12   0.194  -0.361  -3.092
   97    HB3  ARG  12           1HB      ARG  12   1.628   0.245  -3.911
   98    HG2  ARG  12           2HG      ARG  12   2.534  -2.044  -3.963
   99    HG3  ARG  12           1HG      ARG  12   1.046  -2.625  -3.214
  100    HD2  ARG  12           2HD      ARG  12   0.994  -2.966  -5.621
  101    HD3  ARG  12           1HD      ARG  12  -0.235  -1.805  -5.128
  102    HE   ARG  12           HE       ARG  12   2.129  -0.452  -5.871
  103   HH11  ARG  12          1HH1      ARG  12  -0.534  -2.243  -7.260
  104   HH12  ARG  12          2HH1      ARG  12  -0.468  -1.411  -8.779
  105   HH21  ARG  12          1HH2      ARG  12   2.222   0.650  -7.868
  106   HH22  ARG  12          2HH2      ARG  12   1.096   0.242  -9.124
  107    H    LYS  13           H        LYS  13   0.284   0.828  -0.404
  108    HA   LYS  13           HA       LYS  13   0.825   3.515  -0.875
  109    HB2  LYS  13           2HB      LYS  13  -1.063   2.296   0.528
  110    HB3  LYS  13           1HB      LYS  13   0.023   2.638   1.867
  111    HG2  LYS  13           2HG      LYS  13  -1.457   4.439   1.828
  112    HG3  LYS  13           1HG      LYS  13   0.003   5.050   1.045
  113    HD2  LYS  13           2HD      LYS  13  -1.058   4.437  -1.155
  114    HD3  LYS  13           1HD      LYS  13  -2.549   4.136  -0.266
  115    HE2  LYS  13           2HE      LYS  13  -2.413   6.477   0.591
  116    HE3  LYS  13           1HE      LYS  13  -1.044   6.730  -0.491
  117    HZ1  LYS  13           2HZ      LYS  13  -3.119   7.502  -1.469
  118    HZ2  LYS  13           3HZ      LYS  13  -3.781   5.954  -1.337
  119    HZ3  LYS  13           1HZ      LYS  13  -2.468   6.228  -2.366
  120    H    LYS  14           H        LYS  14   2.138   1.321   1.597
  121    HA   LYS  14           HA       LYS  14   3.822   3.233   2.833
  122    HB2  LYS  14           2HB      LYS  14   4.233   0.240   2.688
  123    HB3  LYS  14           1HB      LYS  14   4.955   1.337   3.853
  124    HG2  LYS  14           2HG      LYS  14   2.039   0.639   3.610
  125    HG3  LYS  14           1HG      LYS  14   3.154   0.108   4.870
  126    HD2  LYS  14           2HD      LYS  14   3.458   2.469   5.544
  127    HD3  LYS  14           1HD      LYS  14   2.258   2.941   4.337
  128    HE2  LYS  14           2HE      LYS  14   1.824   1.173   6.741
  129    HE3  LYS  14           1HE      LYS  14   1.198   2.802   6.496
  130    HZ1  LYS  14           2HZ      LYS  14  -0.109   1.971   4.633
  131    HZ2  LYS  14           3HZ      LYS  14  -0.490   1.145   6.056
  132    HZ3  LYS  14           1HZ      LYS  14   0.485   0.408   4.888
  133    H    MET  15           H        MET  15   4.186   1.110   0.089
  134    HA   MET  15           HA       MET  15   6.971   1.122  -0.137
  135    HB2  MET  15           2HB      MET  15   4.923   0.894  -2.347
  136    HB3  MET  15           1HB      MET  15   6.617   0.437  -2.468
  137    HG2  MET  15           2HG      MET  15   4.604  -0.808  -0.610
  138    HG3  MET  15           1HG      MET  15   5.140  -1.487  -2.145
  139    HE1  MET  15           2HE      MET  15   6.713  -3.750   0.713
  140    HE2  MET  15           3HE      MET  15   5.630  -3.739  -0.677
  141    HE3  MET  15           1HE      MET  15   5.181  -2.882   0.796
  142    H    TRP  16           H        TRP  16   4.556   3.245  -1.706
  143    HA   TRP  16           HA       TRP  16   6.643   4.718  -3.018
  144    HB2  TRP  16           2HB      TRP  16   4.946   6.027  -4.038
  145    HB3  TRP  16           1HB      TRP  16   4.338   4.385  -3.979
  146    HD1  TRP  16           HD       TRP  16   2.104   3.962  -2.672
  147    HE1  TRP  16           1HE      TRP  16   0.395   5.515  -1.553
  148    HE3  TRP  16           3HE      TRP  16   4.825   8.282  -2.658
  149    HZ2  TRP  16           2HZ      TRP  16   0.224   8.227  -0.758
  150    HZ3  TRP  16           3HZ      TRP  16   3.818  10.308  -1.704
  151    HH2  TRP  16           HH       TRP  16   1.574  10.275  -0.767
  152    H    LEU  17           H        LEU  17   4.787   5.068  -0.088
  153    HA   LEU  17           HA       LEU  17   5.293   7.807   0.396
  154    HB2  LEU  17           2HB      LEU  17   4.552   5.467   2.107
  155    HB3  LEU  17           1HB      LEU  17   4.996   6.982   2.865
  156    HG   LEU  17           HG       LEU  17   2.795   6.762   0.815
  157   HD11  LEU  17          2HD1      LEU  17   1.241   6.800   2.713
  158   HD12  LEU  17          3HD1      LEU  17   2.600   6.675   3.829
  159   HD13  LEU  17          1HD1      LEU  17   2.241   5.348   2.726
  160   HD21  LEU  17          1HD2      LEU  17   2.103   8.903   1.777
  161   HD22  LEU  17          2HD2      LEU  17   3.744   8.990   1.138
  162   HD23  LEU  17          3HD2      LEU  17   3.481   8.860   2.876
  163    H    LEU  18           H        LEU  18   6.906   4.855   1.496
  164    HA   LEU  18           HA       LEU  18   8.983   6.225   2.884
  165    HB2  LEU  18           2HB      LEU  18   8.485   3.386   2.080
  166    HB3  LEU  18           1HB      LEU  18  10.062   3.850   2.681
  167    HG   LEU  18           HG       LEU  18   9.120   4.505   4.815
  168   HD11  LEU  18          2HD1      LEU  18   6.437   3.737   3.670
  169   HD12  LEU  18          3HD1      LEU  18   6.968   5.378   4.037
  170   HD13  LEU  18          1HD1      LEU  18   6.761   4.207   5.339
  171   HD21  LEU  18          1HD2      LEU  18   8.083   1.833   3.899
  172   HD22  LEU  18          2HD2      LEU  18   8.318   2.328   5.576
  173   HD23  LEU  18          3HD2      LEU  18   9.707   2.169   4.501
  174    H    LYS  19           H        LYS  19   8.499   5.213  -0.388
  175    HA   LYS  19           HA       LYS  19  11.203   5.189  -1.220
  176    HB2  LYS  19           2HB      LYS  19   9.370   4.172  -2.521
  177    HB3  LYS  19           1HB      LYS  19   8.711   5.771  -2.831
  178    HG2  LYS  19           2HG      LYS  19  10.596   6.369  -4.167
  179    HG3  LYS  19           1HG      LYS  19  11.453   4.897  -3.707
  180    HD2  LYS  19           2HD      LYS  19  10.518   4.679  -5.941
  181    HD3  LYS  19           1HD      LYS  19   9.739   3.552  -4.831
  182    HE2  LYS  19           2HE      LYS  19   7.851   5.106  -4.608
  183    HE3  LYS  19           1HE      LYS  19   8.631   6.205  -5.742
  184    HZ1  LYS  19           2HZ      LYS  19   8.498   4.490  -7.437
  185    HZ2  LYS  19           3HZ      LYS  19   6.963   4.854  -6.833
  186    HZ3  LYS  19           1HZ      LYS  19   7.745   3.438  -6.346
  187    H    ILE  20           H        ILE  20   8.942   7.718  -0.590
  188    HA   ILE  20           HA       ILE  20  10.537   9.721  -1.965
  189    HB   ILE  20           HB       ILE  20   7.996   9.983  -0.355
  190   HG12  ILE  20          2HG1      ILE  20   8.490  10.104  -3.338
  191   HG13  ILE  20          1HG1      ILE  20   7.758   8.752  -2.480
  192   HG21  ILE  20          1HG2      ILE  20   9.438  12.046  -2.013
  193   HG22  ILE  20          2HG2      ILE  20   9.294  12.039  -0.256
  194   HG23  ILE  20          3HG2      ILE  20   7.858  12.254  -1.259
  195   HD11  ILE  20          2HD1      ILE  20   5.906  10.212  -1.810
  196   HD12  ILE  20          3HD1      ILE  20   6.063  10.079  -3.561
  197   HD13  ILE  20          1HD1      ILE  20   6.630  11.529  -2.731
  198    H    SER  21           H        SER  21   9.772   8.687   1.307
  199    HA   SER  21           HA       SER  21  11.113  10.937   2.505
  200    HB2  SER  21           2HB      SER  21  10.646   9.641   4.646
  201    HB3  SER  21           1HB      SER  21   9.235  10.125   3.706
  202    HG   SER  21           HG       SER  21   9.722   7.746   4.523
  203    H    ASN  22           H        ASN  22  11.872   7.611   1.738
  204    HA   ASN  22           HA       ASN  22  14.401   7.794   3.207
  205    HB2  ASN  22           2HB      ASN  22  12.927   5.479   1.962
  206    HB3  ASN  22           1HB      ASN  22  14.600   5.339   2.482
  207   HD21  ASN  22          1HD2      ASN  22  12.333   7.341   4.194
  208   HD22  ASN  22          2HD2      ASN  22  12.203   6.337   5.595
  Start of MODEL   10
    1    H1   THR   1           1HT      THR   1 -10.497 -10.894  -1.453
    2    H2   THR   1           2HT      THR   1 -11.001 -10.377  -2.986
    3    H3   THR   1           3HT      THR   1 -11.756 -11.697  -2.250
    4    HA   THR   1           HA       THR   1 -13.148  -9.751  -2.117
    5    HB   THR   1           HB       THR   1 -12.097 -10.183   0.665
    6    HG1  THR   1           1HG      THR   1 -12.804 -12.265   0.678
    7   HG21  THR   1          1HG2      THR   1 -14.862 -10.092  -0.555
    8   HG22  THR   1          2HG2      THR   1 -14.108  -8.853   0.448
    9   HG23  THR   1          3HG2      THR   1 -14.529 -10.414   1.146
   10    H    ASP   2           H        ASP   2 -13.370  -7.713  -0.523
   11    HA   ASP   2           HA       ASP   2 -11.602  -5.758  -1.375
   12    HB2  ASP   2           2HB      ASP   2 -13.777  -5.180  -0.489
   13    HB3  ASP   2           1HB      ASP   2 -13.339  -5.801   1.098
   14    H    GLU   3           H        GLU   3 -11.503  -7.741   1.529
   15    HA   GLU   3           HA       GLU   3  -9.497  -6.475   2.960
   16    HB2  GLU   3           2HB      GLU   3  -9.969  -9.449   2.704
   17    HB3  GLU   3           1HB      GLU   3  -9.050  -8.667   3.981
   18    HG2  GLU   3           2HG      GLU   3 -11.081  -7.484   4.691
   19    HG3  GLU   3           1HG      GLU   3 -11.987  -8.330   3.439
   20    H    ASP   4           H        ASP   4  -9.236  -8.718   0.256
   21    HA   ASP   4           HA       ASP   4  -6.421  -9.069   0.373
   22    HB2  ASP   4           2HB      ASP   4  -8.279  -9.345  -2.001
   23    HB3  ASP   4           1HB      ASP   4  -6.641  -9.980  -1.897
   24    H    VAL   5           H        VAL   5  -8.537  -6.941  -1.492
   25    HA   VAL   5           HA       VAL   5  -6.449  -5.742  -2.976
   26    HB   VAL   5           HB       VAL   5  -9.249  -4.776  -2.424
   27   HG11  VAL   5          2HG1      VAL   5  -7.169  -3.715  -4.338
   28   HG12  VAL   5          3HG1      VAL   5  -7.827  -2.880  -2.930
   29   HG13  VAL   5          1HG1      VAL   5  -8.866  -3.230  -4.313
   30   HG21  VAL   5          1HG2      VAL   5  -9.198  -6.819  -3.681
   31   HG22  VAL   5          2HG2      VAL   5  -7.956  -6.176  -4.753
   32   HG23  VAL   5          3HG2      VAL   5  -9.584  -5.496  -4.782
   33    H    LYS   6           H        LYS   6  -8.283  -4.650  -0.133
   34    HA   LYS   6           HA       LYS   6  -7.022  -2.233   0.310
   35    HB2  LYS   6           2HB      LYS   6  -8.991  -3.081   1.549
   36    HB3  LYS   6           1HB      LYS   6  -7.954  -4.235   2.377
   37    HG2  LYS   6           2HG      LYS   6  -6.649  -2.296   3.253
   38    HG3  LYS   6           1HG      LYS   6  -7.895  -1.245   2.582
   39    HD2  LYS   6           2HD      LYS   6  -8.323  -3.414   4.635
   40    HD3  LYS   6           1HD      LYS   6  -8.283  -1.681   4.959
   41    HE2  LYS   6           2HE      LYS   6 -10.240  -1.358   3.550
   42    HE3  LYS   6           1HE      LYS   6 -10.265  -3.077   3.164
   43    HZ1  LYS   6           2HZ      LYS   6 -10.609  -1.929   5.877
   44    HZ2  LYS   6           3HZ      LYS   6 -10.679  -3.569   5.477
   45    HZ3  LYS   6           1HZ      LYS   6 -11.859  -2.507   4.895
   46    H    LYS   7           H        LYS   7  -5.976  -5.488   0.941
   47    HA   LYS   7           HA       LYS   7  -3.884  -4.932   2.744
   48    HB2  LYS   7           2HB      LYS   7  -5.017  -7.187   2.116
   49    HB3  LYS   7           1HB      LYS   7  -3.824  -7.241   0.829
   50    HG2  LYS   7           2HG      LYS   7  -2.536  -6.630   3.312
   51    HG3  LYS   7           1HG      LYS   7  -3.534  -8.071   3.493
   52    HD2  LYS   7           2HD      LYS   7  -1.500  -8.936   2.785
   53    HD3  LYS   7           1HD      LYS   7  -2.422  -8.830   1.287
   54    HE2  LYS   7           2HE      LYS   7  -1.323  -6.698   0.774
   55    HE3  LYS   7           1HE      LYS   7  -0.388  -6.828   2.262
   56    HZ1  LYS   7           2HZ      LYS   7  -0.235  -8.559  -0.133
   57    HZ2  LYS   7           3HZ      LYS   7   0.467  -8.984   1.346
   58    HZ3  LYS   7           1HZ      LYS   7   0.988  -7.592   0.531
   59    H    TRP   8           H        TRP   8  -3.807  -5.549  -0.796
   60    HA   TRP   8           HA       TRP   8  -1.025  -4.912  -0.924
   61    HB2  TRP   8           2HB      TRP   8  -1.148  -5.221  -3.259
   62    HB3  TRP   8           1HB      TRP   8  -2.248  -6.399  -2.570
   63    HD1  TRP   8           HD       TRP   8  -4.672  -6.358  -3.362
   64    HE1  TRP   8           1HE      TRP   8  -6.005  -4.981  -5.082
   65    HE3  TRP   8           3HE      TRP   8  -1.291  -2.660  -4.171
   66    HZ2  TRP   8           2HZ      TRP   8  -5.649  -2.607  -6.569
   67    HZ3  TRP   8           3HZ      TRP   8  -1.860  -0.860  -5.754
   68    HH2  TRP   8           HH       TRP   8  -3.994  -0.835  -6.926
   69    H    ARG   9           H        ARG   9  -3.994  -3.147  -1.272
   70    HA   ARG   9           HA       ARG   9  -3.032  -0.912  -2.582
   71    HB2  ARG   9           2HB      ARG   9  -5.336  -1.357  -0.739
   72    HB3  ARG   9           1HB      ARG   9  -4.923   0.284  -1.215
   73    HG2  ARG   9           2HG      ARG   9  -5.124  -0.418  -3.587
   74    HG3  ARG   9           1HG      ARG   9  -5.692  -1.991  -3.023
   75    HD2  ARG   9           2HD      ARG   9  -7.570  -0.556  -3.603
   76    HD3  ARG   9           1HD      ARG   9  -7.558  -0.901  -1.873
   77    HE   ARG   9           HE       ARG   9  -6.182   1.516  -2.423
   78   HH11  ARG   9          1HH1      ARG   9  -9.410   0.181  -2.248
   79   HH12  ARG   9          2HH1      ARG   9 -10.151   1.686  -1.806
   80   HH21  ARG   9          1HH2      ARG   9  -7.156   3.512  -1.860
   81   HH22  ARG   9          2HH2      ARG   9  -8.869   3.585  -1.601
   82    H    GLU  10           H        GLU  10  -3.329  -1.497   0.904
   83    HA   GLU  10           HA       GLU  10  -2.041   0.955   1.584
   84    HB2  GLU  10           2HB      GLU  10  -2.124   0.167   3.868
   85    HB3  GLU  10           1HB      GLU  10  -3.658  -0.141   3.066
   86    HG2  GLU  10           2HG      GLU  10  -3.088  -2.466   2.791
   87    HG3  GLU  10           1HG      GLU  10  -1.499  -2.189   3.500
   88    H    GLU  11           H        GLU  11  -1.005  -2.320   1.023
   89    HA   GLU  11           HA       GLU  11   1.573  -2.202   2.116
   90    HB2  GLU  11           2HB      GLU  11   0.541  -4.289   1.362
   91    HB3  GLU  11           1HB      GLU  11   0.565  -3.718  -0.299
   92    HG2  GLU  11           2HG      GLU  11   3.017  -3.690  -0.238
   93    HG3  GLU  11           1HG      GLU  11   2.967  -4.316   1.410
   94    H    ARG  12           H        ARG  12   0.532  -1.695  -1.255
   95    HA   ARG  12           HA       ARG  12   3.041  -0.726  -2.139
   96    HB2  ARG  12           2HB      ARG  12   0.263  -0.483  -3.279
   97    HB3  ARG  12           1HB      ARG  12   1.679   0.179  -4.082
   98    HG2  ARG  12           2HG      ARG  12   2.660  -2.095  -4.117
   99    HG3  ARG  12           1HG      ARG  12   1.149  -2.711  -3.444
  100    HD2  ARG  12           2HD      ARG  12   1.250  -2.968  -5.886
  101    HD3  ARG  12           1HD      ARG  12  -0.074  -1.919  -5.381
  102    HE   ARG  12           HE       ARG  12   2.072  -0.258  -5.898
  103   HH11  ARG  12          1HH1      ARG  12   0.142  -2.558  -7.696
  104   HH12  ARG  12          2HH1      ARG  12   0.301  -1.705  -9.198
  105   HH21  ARG  12          1HH2      ARG  12   2.299   0.860  -7.864
  106   HH22  ARG  12          2HH2      ARG  12   1.543   0.238  -9.299
  107    H    LYS  13           H        LYS  13   0.263   0.793  -0.681
  108    HA   LYS  13           HA       LYS  13   0.850   3.468  -1.267
  109    HB2  LYS  13           2HB      LYS  13  -1.131   2.199   0.106
  110    HB3  LYS  13           1HB      LYS  13  -0.230   2.932   1.425
  111    HG2  LYS  13           2HG      LYS  13  -1.929   4.456   0.816
  112    HG3  LYS  13           1HG      LYS  13  -0.410   5.116   0.201
  113    HD2  LYS  13           2HD      LYS  13  -0.932   4.156  -2.016
  114    HD3  LYS  13           1HD      LYS  13  -2.475   3.593  -1.384
  115    HE2  LYS  13           2HE      LYS  13  -3.038   5.959  -0.841
  116    HE3  LYS  13           1HE      LYS  13  -1.552   6.445  -1.655
  117    HZ1  LYS  13           2HZ      LYS  13  -3.788   4.964  -2.931
  118    HZ2  LYS  13           3HZ      LYS  13  -2.382   5.503  -3.698
  119    HZ3  LYS  13           1HZ      LYS  13  -3.497   6.621  -3.096
  120    H    LYS  14           H        LYS  14   1.840   1.405   1.441
  121    HA   LYS  14           HA       LYS  14   3.427   3.382   2.705
  122    HB2  LYS  14           2HB      LYS  14   3.554   0.369   2.862
  123    HB3  LYS  14           1HB      LYS  14   4.447   1.457   3.912
  124    HG2  LYS  14           2HG      LYS  14   1.447   1.309   3.702
  125    HG3  LYS  14           1HG      LYS  14   2.424   0.586   4.976
  126    HD2  LYS  14           2HD      LYS  14   2.325   3.537   4.355
  127    HD3  LYS  14           1HD      LYS  14   1.389   2.748   5.622
  128    HE2  LYS  14           2HE      LYS  14   4.400   2.737   5.454
  129    HE3  LYS  14           1HE      LYS  14   3.456   3.843   6.448
  130    HZ1  LYS  14           2HZ      LYS  14   3.452   0.883   6.701
  131    HZ2  LYS  14           3HZ      LYS  14   2.583   1.962   7.670
  132    HZ3  LYS  14           1HZ      LYS  14   4.273   1.953   7.719
  133    H    MET  15           H        MET  15   4.026   1.095   0.141
  134    HA   MET  15           HA       MET  15   6.826   1.060   0.223
  135    HB2  MET  15           2HB      MET  15   4.964   0.668  -2.120
  136    HB3  MET  15           1HB      MET  15   6.692   0.353  -2.172
  137    HG2  MET  15           2HG      MET  15   4.655  -1.042  -0.454
  138    HG3  MET  15           1HG      MET  15   5.489  -1.704  -1.858
  139    HE1  MET  15           2HE      MET  15   8.081  -2.268  -1.912
  140    HE2  MET  15           3HE      MET  15   9.177  -1.971  -0.561
  141    HE3  MET  15           1HE      MET  15   8.458  -0.615  -1.430
  142    H    TRP  16           H        TRP  16   4.624   3.156  -1.666
  143    HA   TRP  16           HA       TRP  16   6.833   4.596  -2.786
  144    HB2  TRP  16           2HB      TRP  16   5.235   6.026  -3.845
  145    HB3  TRP  16           1HB      TRP  16   4.607   4.389  -3.918
  146    HD1  TRP  16           HD       TRP  16   2.264   3.946  -2.875
  147    HE1  TRP  16           1HE      TRP  16   0.502   5.445  -1.760
  148    HE3  TRP  16           3HE      TRP  16   5.057   8.178  -2.259
  149    HZ2  TRP  16           2HZ      TRP  16   0.313   8.070  -0.745
  150    HZ3  TRP  16           3HZ      TRP  16   4.012  10.136  -1.205
  151    HH2  TRP  16           HH       TRP  16   1.701  10.077  -0.460
  152    H    LEU  17           H        LEU  17   4.797   4.936   0.021
  153    HA   LEU  17           HA       LEU  17   5.427   7.574   0.738
  154    HB2  LEU  17           2HB      LEU  17   4.636   5.142   2.316
  155    HB3  LEU  17           1HB      LEU  17   5.026   6.648   3.125
  156    HG   LEU  17           HG       LEU  17   2.899   6.431   0.995
  157   HD11  LEU  17          2HD1      LEU  17   1.287   6.449   2.865
  158   HD12  LEU  17          3HD1      LEU  17   2.625   6.266   3.999
  159   HD13  LEU  17          1HD1      LEU  17   2.271   4.987   2.840
  160   HD21  LEU  17          1HD2      LEU  17   3.777   8.671   1.363
  161   HD22  LEU  17          2HD2      LEU  17   3.510   8.510   3.098
  162   HD23  LEU  17          3HD2      LEU  17   2.134   8.544   1.995
  163    H    LEU  18           H        LEU  18   7.070   4.498   1.393
  164    HA   LEU  18           HA       LEU  18   9.117   5.577   3.036
  165    HB2  LEU  18           2HB      LEU  18   9.387   3.140   1.277
  166    HB3  LEU  18           1HB      LEU  18  10.259   3.494   2.754
  167    HG   LEU  18           HG       LEU  18   7.366   2.705   2.487
  168   HD11  LEU  18          2HD1      LEU  18   8.051   0.795   3.849
  169   HD12  LEU  18          3HD1      LEU  18   9.713   1.382   3.830
  170   HD13  LEU  18          1HD1      LEU  18   8.942   0.871   2.329
  171   HD21  LEU  18          1HD2      LEU  18   8.857   3.535   4.971
  172   HD22  LEU  18          2HD2      LEU  18   7.235   2.842   4.919
  173   HD23  LEU  18          3HD2      LEU  18   7.541   4.419   4.196
  174    H    LYS  19           H        LYS  19   8.792   5.021  -0.409
  175    HA   LYS  19           HA       LYS  19  11.439   5.508  -1.184
  176    HB2  LYS  19           2HB      LYS  19   9.809   4.425  -2.638
  177    HB3  LYS  19           1HB      LYS  19   8.862   5.902  -2.710
  178    HG2  LYS  19           2HG      LYS  19  10.572   7.019  -3.951
  179    HG3  LYS  19           1HG      LYS  19  11.683   5.666  -3.726
  180    HD2  LYS  19           2HD      LYS  19  10.703   5.634  -5.964
  181    HD3  LYS  19           1HD      LYS  19  10.202   4.227  -5.030
  182    HE2  LYS  19           2HE      LYS  19   8.070   5.339  -4.524
  183    HE3  LYS  19           1HE      LYS  19   8.574   6.719  -5.496
  184    HZ1  LYS  19           2HZ      LYS  19   8.116   3.951  -6.467
  185    HZ2  LYS  19           3HZ      LYS  19   8.718   5.215  -7.417
  186    HZ3  LYS  19           1HZ      LYS  19   7.151   5.302  -6.784
  187    H    ILE  20           H        ILE  20   8.670   7.716  -0.902
  188    HA   ILE  20           HA       ILE  20  10.231   9.969  -1.782
  189    HB   ILE  20           HB       ILE  20   7.477   9.885  -0.533
  190   HG12  ILE  20          2HG1      ILE  20   8.419  10.009  -3.405
  191   HG13  ILE  20          1HG1      ILE  20   7.523   8.701  -2.640
  192   HG21  ILE  20          1HG2      ILE  20   7.205  12.151  -1.441
  193   HG22  ILE  20          2HG2      ILE  20   8.890  12.137  -1.960
  194   HG23  ILE  20          3HG2      ILE  20   8.497  12.076  -0.243
  195   HD11  ILE  20          2HD1      ILE  20   6.503  11.480  -3.181
  196   HD12  ILE  20          3HD1      ILE  20   5.602  10.197  -2.376
  197   HD13  ILE  20          1HD1      ILE  20   6.078  10.012  -4.062
  198    H    SER  21           H        SER  21   9.733   8.358   1.186
  199    HA   SER  21           HA       SER  21  10.359  10.655   2.833
  200    HB2  SER  21           2HB      SER  21   8.823   8.757   3.544
  201    HB3  SER  21           1HB      SER  21  10.267   7.762   3.701
  202    HG   SER  21           HG       SER  21  10.519  10.166   4.966
  203    H    ASN  22           H        ASN  22  12.110   8.631   0.898
  204    HA   ASN  22           HA       ASN  22  14.395   8.084   2.475
  205    HB2  ASN  22           2HB      ASN  22  13.944   6.858   0.409
  206    HB3  ASN  22           1HB      ASN  22  14.114   8.337  -0.529
  207   HD21  ASN  22          1HD2      ASN  22  16.157   9.207  -0.856
  208   HD22  ASN  22          2HD2      ASN  22  17.600   8.298  -0.579