*HEADER    UNKNOWN FUNCTION                        22-DEC-10   2L7T              
*TITLE     SOLUTION STRUCTURE OF THE MFS-BOUND SANS CEN2 PEPTIDE                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MFS-BOUND SANS CEN2 PEPTIDE;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: 11-MER PEPTIDE FROM USHER SYNDROME TYPE-1G PROTEIN, SANS;   
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606;                                                
*SOURCE   6 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED.               
*KEYWDS    PROTEIN PEPTIDE, UNKNOWN FUNCTION                                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    L.PAN, L.WU, Z.WEI, M.ZHANG                                           
*REVDAT   1   02-MAR-11 2L7T    0                                                


assign (resid 2 and name HA )(resid 3 and name HN ) 3.5 1.7 0.0
assign (resid 2 and name HB# )(resid 3 and name HN ) 3.5 1.7 1.0
assign (resid 2 and name HG# )(resid 3 and name HN ) 5 3.2 1.0
assign (resid 3 and name HA )(resid 3 and name HN ) 4.0 2.2 0.0
assign (resid 3 and name HB# )(resid 3 and name HN ) 3.5 1.7 0.6
assign (resid 3 and name HB# )(resid 5 and name HD1 ) 5 3.2 1.0
assign (resid 3 and name HB# )(resid 5 and name HE1 ) 5 3.2 1.0
assign (resid 3 and name HB# )(resid 5 and name HN ) 5 3.2 1.0
assign (resid 3 and name HD# )(resid 3 and name HN ) 3.5 1.7 1.7
assign (resid 3 and name HD# )(resid 5 and name HD1 ) 2.9 1.1 2.4
assign (resid 3 and name HD# )(resid 5 and name HE1 ) 2.9 1.1 2.4
assign (resid 3 and name HD# )(resid 5 and name HE3 ) 3.5 1.7 2.4
assign (resid 3 and name HD# )(resid 5 and name HN ) 5 3.2 2.4
assign (resid 3 and name HD# )(resid 5 and name HZ2 ) 3.5 1.7 2.4
assign (resid 3 and name HG )(resid 5 and name HD1 ) 5 3.2 0.0
assign (resid 3 and name HG )(resid 5 and name HE1 ) 5 3.2 0.0
assign (resid 3 and name HG )(resid 5 and name HE3 ) 5 3.2 0.0
assign (resid 3 and name HG )(resid 5 and name HN ) 5 3.2 0.0
assign (resid 3 and name HN )(resid 4 and name HD# ) 5 3.2 1.0
assign (resid 4 and name HA )(resid 5 and name HE3 ) 5 3.2 0.0
assign (resid 4 and name HA )(resid 5 and name HN ) 3.5 1.7 0.0
assign (resid 4 and name HA )(resid 5 and name HZ3 ) 6.0 4.2 0.0
assign (resid 4 and name HB# )(resid 5 and name HE3 ) 3.5 1.7 1.0
assign (resid 4 and name HB# )(resid 5 and name HN ) 5 3.2 1.0
assign (resid 4 and name HB# )(resid 5 and name HZ3 ) 5 3.2 1.0
assign (resid 4 and name HD# )(resid 5 and name HE3 ) 5 3.2 1.0
assign (resid 4 and name HD# )(resid 5 and name HN ) 5 3.2 1.0
assign (resid 4 and name HD# )(resid 5 and name HZ3 ) 5 3.2 1.0
assign (resid 4 and name HG# )(resid 5 and name HD1 ) 5.7 3.9 1.0
assign (resid 4 and name HG# )(resid 5 and name HH2 ) 5.7 3.9 1.0
assign (resid 4 and name HG# )(resid 5 and name HN ) 5 3.2 1.0
assign (resid 4 and name HG# )(resid 5 and name HZ3 ) 3.5 1.7 1.0
assign (resid 5 and name HA )(resid 5 and name HD1 ) 5 3.2 0.0
assign (resid 5 and name HA )(resid 5 and name HE3 ) 5 3.2 0.0
assign (resid 5 and name HA )(resid 5 and name HN ) 5 3.2 0.0
assign (resid 5 and name HA )(resid 6 and name HN ) 3.8 2.0 0.0
assign (resid 5 and name HB# )(resid 5 and name HD1 ) 2.9 1.1 1.0
assign (resid 5 and name HB# )(resid 5 and name HE1 ) 5 3.2 1.0
assign (resid 5 and name HB# )(resid 5 and name HE3 ) 2.9 1.1 1.0
assign (resid 5 and name HB# )(resid 5 and name HN ) 3.5 1.7 0.6
assign (resid 5 and name HB# )(resid 5 and name HZ3 ) 5 3.2 1.0
assign (resid 5 and name HB# )(resid 6 and name HN ) 3.5 1.7 1.0
assign (resid 5 and name HB# )(resid 9 and name HN ) 5.9 4.1 1.0
assign (resid 5 and name HD1 )(resid 5 and name HE1 ) 2.9 1.1 0.0
assign (resid 5 and name HD1 )(resid 5 and name HE3 ) 5 3.2 0.0
assign (resid 5 and name HD1 )(resid 5 and name HN ) 5 3.2 0.0
assign (resid 5 and name HD1 )(resid 6 and name HA ) 5 3.2 0.0
assign (resid 5 and name HD1 )(resid 6 and name HB# ) 5 3.2 1.0
assign (resid 5 and name HD1 )(resid 6 and name HN ) 5 3.2 0.0
assign (resid 5 and name HD1 )(resid 7 and name HA ) 5 3.2 0.0
assign (resid 5 and name HD1 )(resid 7 and name HB# ) 5.7 3.9 1.0
assign (resid 5 and name HD1 )(resid 7 and name HG# ) 5.7 3.9 1.0
assign (resid 5 and name HD1 )(resid 8 and name HN ) 5 3.2 0.0
assign (resid 5 and name HD1 )(resid 8 and name HA ) 5.7 3.9 0.0
assign (resid 5 and name HD1 )(resid 9 and name HB# ) 5.7 3.9 1.0
assign (resid 5 and name HE1 )(resid 5 and name HE3 ) 5.7 3.9 0.0
assign (resid 5 and name HE1 )(resid 5 and name HN ) 5.7 3.9 0.0
assign (resid 5 and name HE1 )(resid 5 and name HZ2 ) 3.5 1.7 0.0
assign (resid 5 and name HE1 )(resid 7 and name HA ) 5.7 3.9 0.0
assign (resid 5 and name HE3 )(resid 5 and name HH2 ) 5 3.2 0.0
assign (resid 5 and name HE3 )(resid 5 and name HN ) 5 3.2 0.0
assign (resid 5 and name HE3 )(resid 5 and name HZ3 ) 2.9 1.1 0.0
assign (resid 5 and name HH2 )(resid 5 and name HZ2 ) 3.5 1.7 0.0
assign (resid 5 and name HH2 )(resid 8 and name HD# ) 5 3.2 2.4
assign (resid 5 and name HN )(resid 6 and name HN ) 5 3.2 0.0
assign (resid 5 and name HZ2 )(resid 5 and name HZ3 ) 5 3.2 0.0
assign (resid 5 and name HZ3 )(resid 8 and name HD# ) 5 3.2 2.4
assign (resid 6 and name HA )(resid 6 and name HN ) 3.8 2.0 0.0
assign (resid 6 and name HA )(resid 7 and name HN ) 3.8 2.0 0.0
assign (resid 6 and name HB# )(resid 6 and name HN ) 3.5 1.7 0.6
assign (resid 6 and name HB# )(resid 7 and name HN ) 3.8 2.0 1.0
assign (resid 7 and name HA )(resid 10 and name HN ) 5.5 3.7 0.0
assign (resid 7 and name HA )(resid 7 and name HN ) 3.8 2.0 0.0
assign (resid 7 and name HA )(resid 8 and name HN ) 3.8 2.0 0.0
assign (resid 7 and name HA )(resid 9 and name HN ) 5 3.2 0.0
assign (resid 7 and name HB# )(resid 7 and name HN ) 3.8 2.0 0.6
assign (resid 7 and name HG# )(resid 7 and name HN ) 5.0 3.2 1.0
assign (resid 8 and name HA )(resid 8 and name HN ) 3.8 2.0 0.0
assign (resid 8 and name HA )(resid 9 and name HN ) 3.5 1.7 0.0
assign (resid 8 and name HD# )(resid 8 and name HN ) 3.5 1.7 1.7
assign (resid 8 and name HD# )(resid 9 and name HN ) 3.5 1.7 2.4
assign (resid 8 and name HG )(resid 9 and name HN ) 5 3.2 0.0
assign (resid 8 and name HN )(resid 9 and name HN ) 3.8 2.0 0.0
assign (resid 9 and name HA )(resid 10 and name HN ) 3.5 1.7 0.0
assign (resid 9 and name HA )(resid 11 and name HN ) 5 3.2 0.0
assign (resid 9 and name HA )(resid 9 and name HN ) 3.5 1.7 0.0
assign (resid 9 and name HB# )(resid 11 and name HN ) 6 4.2 1.0
assign (resid 9 and name HB# )(resid 9 and name HN ) 3.5 1.7 0.6
assign (resid 10 and name HA )(resid 10 and name HN ) 3.5 1.7 0.0
assign (resid 10 and name HA )(resid 11 and name HN ) 3.5 1.7 0.0
assign (resid 10 and name HD# )(resid 10 and name HN ) 3.5 1.7 1.7
assign (resid 10 and name HN )(resid 11 and name HA# ) 5 3.2 1.0
assign (resid 10 and name HN )(resid 11 and name HN ) 3.5 1.7 0.0
assign (resid 11 and name HA# )(resid 11 and name HN ) 2.9 1.1 0.6

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           1HT      GLU   1 -11.763   4.694  -1.514
    2    H2   GLU   1           2HT      GLU   1 -11.521   2.999  -1.382
    3    H3   GLU   1           3HT      GLU   1 -12.395   3.642  -2.711
    4    HA   GLU   1           HA       GLU   1 -10.347   3.156  -3.567
    5    HB2  GLU   1           2HB      GLU   1 -10.711   6.034  -2.786
    6    HB3  GLU   1           1HB      GLU   1  -9.307   5.545  -3.723
    7    HG2  GLU   1           2HG      GLU   1 -10.525   5.115  -5.589
    8    HG3  GLU   1           1HG      GLU   1 -11.966   4.660  -4.681
    9    H    GLU   2           H        GLU   2  -9.812   1.966  -1.298
   10    HA   GLU   2           HA       GLU   2  -7.630   3.268   0.103
   11    HB2  GLU   2           2HB      GLU   2  -9.511   1.558   0.970
   12    HB3  GLU   2           1HB      GLU   2  -8.241   0.405   0.585
   13    HG2  GLU   2           2HG      GLU   2  -6.946   2.414   1.990
   14    HG3  GLU   2           1HG      GLU   2  -8.486   2.213   2.824
   15    H    LEU   3           H        LEU   3  -5.591   2.008   0.477
   16    HA   LEU   3           HA       LEU   3  -4.781   0.607  -1.984
   17    HB2  LEU   3           2HB      LEU   3  -3.842   2.916  -1.729
   18    HB3  LEU   3           1HB      LEU   3  -3.024   2.367  -0.278
   19    HG   LEU   3           HG       LEU   3  -1.979   0.568  -1.841
   20   HD11  LEU   3          1HD1      LEU   3  -2.601   2.688  -3.883
   21   HD12  LEU   3          2HD1      LEU   3  -3.501   1.177  -3.738
   22   HD13  LEU   3          3HD1      LEU   3  -1.783   1.147  -4.135
   23   HD21  LEU   3          3HD2      LEU   3  -0.451   2.016  -0.942
   24   HD22  LEU   3          1HD2      LEU   3  -1.283   3.447  -1.550
   25   HD23  LEU   3          2HD2      LEU   3  -0.328   2.450  -2.647
   26    HA   PRO   4           HA       PRO   4  -3.790  -2.913   0.501
   27    HB2  PRO   4           2HB      PRO   4  -1.495  -3.663  -0.924
   28    HB3  PRO   4           1HB      PRO   4  -3.145  -4.191  -1.252
   29    HG2  PRO   4           2HG      PRO   4  -1.550  -2.040  -2.555
   30    HG3  PRO   4           1HG      PRO   4  -2.743  -3.144  -3.263
   31    HD2  PRO   4           2HD      PRO   4  -3.336  -0.582  -2.770
   32    HD3  PRO   4           1HD      PRO   4  -4.539  -1.868  -2.535
   33    H    TRP   5           H        TRP   5  -1.392  -0.467  -0.247
   34    HA   TRP   5           HA       TRP   5  -0.136  -0.987   2.357
   35    HB2  TRP   5           2HB      TRP   5   2.082  -0.462   1.347
   36    HB3  TRP   5           1HB      TRP   5   1.365  -1.943   0.719
   37    HD1  TRP   5           HD       TRP   5   2.007   1.704  -0.318
   38    HE1  TRP   5           1HE      TRP   5   2.035   1.826  -2.889
   39    HE3  TRP   5           3HE      TRP   5   0.639  -3.079  -1.337
   40    HZ2  TRP   5           2HZ      TRP   5   1.534   0.094  -5.070
   41    HZ3  TRP   5           3HZ      TRP   5   0.428  -3.789  -3.687
   42    HH2  TRP   5           HH       TRP   5   0.868  -2.229  -5.515
   43    H    ASP   6           H        ASP   6   1.604   0.983   2.609
   44    HA   ASP   6           HA       ASP   6   0.058   3.445   2.116
   45    HB2  ASP   6           2HB      ASP   6   1.518   2.498   4.560
   46    HB3  ASP   6           1HB      ASP   6   1.334   4.224   4.263
   47    H    GLU   7           H        GLU   7   3.340   2.240   2.810
   48    HA   GLU   7           HA       GLU   7   4.372   4.208   0.888
   49    HB2  GLU   7           2HB      GLU   7   4.713   5.013   3.229
   50    HB3  GLU   7           1HB      GLU   7   5.682   3.579   3.538
   51    HG2  GLU   7           2HG      GLU   7   6.822   4.642   1.266
   52    HG3  GLU   7           1HG      GLU   7   6.395   6.062   2.221
   53    H    LEU   8           H        LEU   8   3.823   1.465   0.445
   54    HA   LEU   8           HA       LEU   8   6.438   0.159   0.477
   55    HB2  LEU   8           2HB      LEU   8   4.314  -1.027   1.175
   56    HB3  LEU   8           1HB      LEU   8   3.824  -0.971  -0.508
   57    HG   LEU   8           HG       LEU   8   6.481  -2.155   0.054
   58   HD11  LEU   8          1HD1      LEU   8   4.194  -3.996   0.374
   59   HD12  LEU   8          2HD1      LEU   8   4.566  -2.949   1.744
   60   HD13  LEU   8          3HD1      LEU   8   5.798  -4.036   1.106
   61   HD21  LEU   8          3HD2      LEU   8   6.148  -3.196  -1.921
   62   HD22  LEU   8          1HD2      LEU   8   4.976  -1.901  -2.159
   63   HD23  LEU   8          2HD2      LEU   8   4.438  -3.485  -1.603
   64    H    ASP   9           H        ASP   9   4.117   1.578  -1.709
   65    HA   ASP   9           HA       ASP   9   6.093   1.620  -3.816
   66    HB2  ASP   9           2HB      ASP   9   3.775  -0.218  -3.861
   67    HB3  ASP   9           1HB      ASP   9   4.041   0.708  -5.338
   68    H    LEU  10           H        LEU  10   5.940   3.861  -3.584
   69    HA   LEU  10           HA       LEU  10   3.405   5.035  -4.530
   70    HB2  LEU  10           2HB      LEU  10   4.707   5.521  -2.133
   71    HB3  LEU  10           1HB      LEU  10   5.195   6.871  -3.141
   72    HG   LEU  10           HG       LEU  10   3.227   7.437  -1.823
   73   HD11  LEU  10          1HD1      LEU  10   3.597   8.015  -4.404
   74   HD12  LEU  10          2HD1      LEU  10   2.212   8.594  -3.480
   75   HD13  LEU  10          3HD1      LEU  10   2.048   7.180  -4.520
   76   HD21  LEU  10          3HD2      LEU  10   1.451   5.618  -3.318
   77   HD22  LEU  10          1HD2      LEU  10   1.364   6.174  -1.645
   78   HD23  LEU  10          2HD2      LEU  10   2.469   4.871  -2.087
   79    H    GLY  11           H        GLY  11   5.428   4.084  -6.271
   80    HA2  GLY  11           2HA      GLY  11   5.942   5.125  -8.378
   81    HA3  GLY  11           1HA      GLY  11   6.206   6.635  -7.518
  Start of MODEL    2
    1    H1   GLU   1           1HT      GLU   1  -7.244   4.581   5.588
    2    H2   GLU   1           2HT      GLU   1  -7.530   2.890   5.519
    3    H3   GLU   1           3HT      GLU   1  -8.750   3.990   5.020
    4    HA   GLU   1           HA       GLU   1  -7.525   4.663   3.175
    5    HB2  GLU   1           2HB      GLU   1  -5.348   3.091   4.533
    6    HB3  GLU   1           1HB      GLU   1  -5.271   3.450   2.813
    7    HG2  GLU   1           2HG      GLU   1  -5.390   5.844   3.317
    8    HG3  GLU   1           1HG      GLU   1  -5.438   5.471   5.039
    9    H    GLU   2           H        GLU   2  -7.278   3.409   1.189
   10    HA   GLU   2           HA       GLU   2  -8.561   0.772   1.428
   11    HB2  GLU   2           2HB      GLU   2  -8.618   2.788  -0.819
   12    HB3  GLU   2           1HB      GLU   2  -9.286   1.167  -0.940
   13    HG2  GLU   2           2HG      GLU   2 -11.139   1.728   0.158
   14    HG3  GLU   2           1HG      GLU   2 -10.247   2.622   1.388
   15    H    LEU   3           H        LEU   3  -5.856   2.522   0.104
   16    HA   LEU   3           HA       LEU   3  -4.941   0.703  -1.791
   17    HB2  LEU   3           2HB      LEU   3  -4.064   3.014  -1.380
   18    HB3  LEU   3           1HB      LEU   3  -3.209   2.383   0.016
   19    HG   LEU   3           HG       LEU   3  -2.151   0.726  -1.694
   20   HD11  LEU   3          1HD1      LEU   3  -2.274   1.168  -3.906
   21   HD12  LEU   3          2HD1      LEU   3  -2.440   2.908  -3.664
   22   HD13  LEU   3          3HD1      LEU   3  -3.834   1.849  -3.443
   23   HD21  LEU   3          3HD2      LEU   3  -0.562   2.061  -0.809
   24   HD22  LEU   3          1HD2      LEU   3  -1.508   3.531  -1.048
   25   HD23  LEU   3          2HD2      LEU   3  -0.624   2.821  -2.399
   26    HA   PRO   4           HA       PRO   4  -3.818  -2.946   0.433
   27    HB2  PRO   4           2HB      PRO   4  -1.556  -3.561  -1.100
   28    HB3  PRO   4           1HB      PRO   4  -3.208  -4.088  -1.427
   29    HG2  PRO   4           2HG      PRO   4  -1.670  -1.828  -2.610
   30    HG3  PRO   4           1HG      PRO   4  -2.862  -2.898  -3.367
   31    HD2  PRO   4           2HD      PRO   4  -3.476  -0.382  -2.680
   32    HD3  PRO   4           1HD      PRO   4  -4.657  -1.700  -2.520
   33    H    TRP   5           H        TRP   5  -1.497  -0.399  -0.208
   34    HA   TRP   5           HA       TRP   5  -0.170  -1.054   2.327
   35    HB2  TRP   5           2HB      TRP   5   2.025  -0.481   1.315
   36    HB3  TRP   5           1HB      TRP   5   1.295  -1.913   0.597
   37    HD1  TRP   5           HD       TRP   5   1.946   1.793  -0.197
   38    HE1  TRP   5           1HE      TRP   5   1.945   2.088  -2.755
   39    HE3  TRP   5           3HE      TRP   5   0.538  -2.904  -1.522
   40    HZ2  TRP   5           2HZ      TRP   5   1.411   0.511  -5.042
   41    HZ3  TRP   5           3HZ      TRP   5   0.297  -3.452  -3.912
   42    HH2  TRP   5           HH       TRP   5   0.726  -1.775  -5.637
   43    H    ASP   6           H        ASP   6   1.567   0.920   2.633
   44    HA   ASP   6           HA       ASP   6  -0.054   3.368   2.385
   45    HB2  ASP   6           2HB      ASP   6   0.371   2.386   4.719
   46    HB3  ASP   6           1HB      ASP   6   2.040   2.906   4.503
   47    H    GLU   7           H        GLU   7   3.282   2.147   2.511
   48    HA   GLU   7           HA       GLU   7   4.058   4.149   0.550
   49    HB2  GLU   7           2HB      GLU   7   5.017   4.091   3.370
   50    HB3  GLU   7           1HB      GLU   7   6.185   4.475   2.112
   51    HG2  GLU   7           2HG      GLU   7   3.700   5.955   1.832
   52    HG3  GLU   7           1HG      GLU   7   4.508   6.247   3.372
   53    H    LEU   8           H        LEU   8   3.755   1.293   0.471
   54    HA   LEU   8           HA       LEU   8   6.367   0.102   0.597
   55    HB2  LEU   8           2HB      LEU   8   4.389  -1.244   1.015
   56    HB3  LEU   8           1HB      LEU   8   3.773  -0.883  -0.587
   57    HG   LEU   8           HG       LEU   8   6.078  -2.002  -1.318
   58   HD11  LEU   8          1HD1      LEU   8   5.654  -2.813   1.495
   59   HD12  LEU   8          2HD1      LEU   8   7.146  -2.665   0.564
   60   HD13  LEU   8          3HD1      LEU   8   6.113  -4.079   0.356
   61   HD21  LEU   8          3HD2      LEU   8   4.721  -4.245  -1.172
   62   HD22  LEU   8          1HD2      LEU   8   4.195  -2.938  -2.233
   63   HD23  LEU   8          2HD2      LEU   8   3.415  -3.172  -0.670
   64    H    ASP   9           H        ASP   9   4.341   1.537  -1.872
   65    HA   ASP   9           HA       ASP   9   6.611   1.640  -3.672
   66    HB2  ASP   9           2HB      ASP   9   5.064  -0.518  -3.999
   67    HB3  ASP   9           1HB      ASP   9   4.114   0.629  -4.937
   68    H    LEU  10           H        LEU  10   5.213   3.634  -2.236
   69    HA   LEU  10           HA       LEU  10   3.698   5.029  -4.331
   70    HB2  LEU  10           2HB      LEU  10   3.050   4.627  -1.717
   71    HB3  LEU  10           1HB      LEU  10   3.807   6.206  -1.633
   72    HG   LEU  10           HG       LEU  10   1.792   5.872  -3.767
   73   HD11  LEU  10          1HD1      LEU  10   0.846   6.215  -0.942
   74   HD12  LEU  10          2HD1      LEU  10   0.902   4.635  -1.722
   75   HD13  LEU  10          3HD1      LEU  10  -0.104   5.917  -2.396
   76   HD21  LEU  10          3HD2      LEU  10   1.677   8.054  -1.791
   77   HD22  LEU  10          1HD2      LEU  10   1.588   8.106  -3.552
   78   HD23  LEU  10          2HD2      LEU  10   3.152   7.961  -2.753
   79    H    GLY  11           H        GLY  11   6.370   4.968  -4.797
   80    HA2  GLY  11           2HA      GLY  11   7.778   7.172  -3.657
   81    HA3  GLY  11           1HA      GLY  11   8.255   6.261  -5.081
  Start of MODEL    3
    1    H1   GLU   1           1HT      GLU   1  -8.115   6.420  -1.438
    2    H2   GLU   1           2HT      GLU   1  -6.640   6.435  -0.560
    3    H3   GLU   1           3HT      GLU   1  -7.405   7.912  -0.982
    4    HA   GLU   1           HA       GLU   1  -7.907   7.645   1.213
    5    HB2  GLU   1           2HB      GLU   1 -10.117   6.563  -0.538
    6    HB3  GLU   1           1HB      GLU   1 -10.361   7.014   1.144
    7    HG2  GLU   1           2HG      GLU   1  -9.285   9.278   0.334
    8    HG3  GLU   1           1HG      GLU   1  -9.876   8.725  -1.232
    9    H    GLU   2           H        GLU   2  -8.017   4.623  -0.537
   10    HA   GLU   2           HA       GLU   2  -7.463   3.187   1.930
   11    HB2  GLU   2           2HB      GLU   2 -10.023   3.253   1.334
   12    HB3  GLU   2           1HB      GLU   2  -9.574   2.026   0.157
   13    HG2  GLU   2           2HG      GLU   2  -9.461   0.449   1.710
   14    HG3  GLU   2           1HG      GLU   2  -8.458   1.453   2.758
   15    H    LEU   3           H        LEU   3  -5.530   2.396   1.352
   16    HA   LEU   3           HA       LEU   3  -5.390   0.846  -1.150
   17    HB2  LEU   3           2HB      LEU   3  -4.090   3.004  -1.158
   18    HB3  LEU   3           1HB      LEU   3  -3.093   2.330   0.118
   19    HG   LEU   3           HG       LEU   3  -2.604   0.412  -1.516
   20   HD11  LEU   3          1HD1      LEU   3  -3.109   2.294  -3.728
   21   HD12  LEU   3          2HD1      LEU   3  -4.530   1.516  -3.030
   22   HD13  LEU   3          3HD1      LEU   3  -3.218   0.533  -3.681
   23   HD21  LEU   3          3HD2      LEU   3  -1.310   2.742  -0.953
   24   HD22  LEU   3          1HD2      LEU   3  -1.429   2.815  -2.711
   25   HD23  LEU   3          2HD2      LEU   3  -0.654   1.434  -1.935
   26    HA   PRO   4           HA       PRO   4  -4.524  -2.720   1.325
   27    HB2  PRO   4           2HB      PRO   4  -2.670  -3.858  -0.454
   28    HB3  PRO   4           1HB      PRO   4  -4.410  -4.146  -0.428
   29    HG2  PRO   4           2HG      PRO   4  -2.818  -2.311  -2.147
   30    HG3  PRO   4           1HG      PRO   4  -4.278  -3.237  -2.537
   31    HD2  PRO   4           2HD      PRO   4  -4.376  -0.597  -2.105
   32    HD3  PRO   4           1HD      PRO   4  -5.682  -1.670  -1.555
   33    H    TRP   5           H        TRP   5  -1.962  -0.709   0.026
   34    HA   TRP   5           HA       TRP   5  -0.357  -1.330   2.403
   35    HB2  TRP   5           2HB      TRP   5   1.703  -1.292   1.036
   36    HB3  TRP   5           1HB      TRP   5   0.628  -2.612   0.584
   37    HD1  TRP   5           HD       TRP   5   1.823   0.808  -0.692
   38    HE1  TRP   5           1HE      TRP   5   1.467   0.901  -3.238
   39    HE3  TRP   5           3HE      TRP   5  -0.650  -3.586  -1.290
   40    HZ2  TRP   5           2HZ      TRP   5   0.282  -0.706  -5.244
   41    HZ3  TRP   5           3HZ      TRP   5  -1.371  -4.257  -3.549
   42    HH2  TRP   5           HH       TRP   5  -0.911  -2.841  -5.486
   43    H    ASP   6           H        ASP   6   0.987   0.353   3.137
   44    HA   ASP   6           HA       ASP   6   0.006   2.987   2.450
   45    HB2  ASP   6           2HB      ASP   6   1.457   3.729   4.343
   46    HB3  ASP   6           1HB      ASP   6   0.284   2.496   4.794
   47    H    GLU   7           H        GLU   7   1.072   2.416   0.212
   48    HA   GLU   7           HA       GLU   7   2.654   2.887  -1.355
   49    HB2  GLU   7           2HB      GLU   7   2.950   5.060   0.670
   50    HB3  GLU   7           1HB      GLU   7   4.139   4.953  -0.621
   51    HG2  GLU   7           2HG      GLU   7   1.165   5.139  -1.046
   52    HG3  GLU   7           1HG      GLU   7   2.279   6.505  -1.104
   53    H    LEU   8           H        LEU   8   3.777   0.909  -1.110
   54    HA   LEU   8           HA       LEU   8   5.975   0.691   0.729
   55    HB2  LEU   8           2HB      LEU   8   6.397  -1.460  -0.357
   56    HB3  LEU   8           1HB      LEU   8   4.716  -1.287   0.111
   57    HG   LEU   8           HG       LEU   8   4.425  -0.485  -2.381
   58   HD11  LEU   8          1HD1      LEU   8   6.411  -0.495  -3.435
   59   HD12  LEU   8          2HD1      LEU   8   6.083  -2.219  -3.611
   60   HD13  LEU   8          3HD1      LEU   8   7.126  -1.647  -2.308
   61   HD21  LEU   8          3HD2      LEU   8   3.174  -2.318  -1.877
   62   HD22  LEU   8          1HD2      LEU   8   4.538  -3.201  -1.192
   63   HD23  LEU   8          2HD2      LEU   8   4.359  -3.074  -2.942
   64    H    ASP   9           H        ASP   9   5.539   1.619  -2.602
   65    HA   ASP   9           HA       ASP   9   8.357   1.492  -3.226
   66    HB2  ASP   9           2HB      ASP   9   6.546   1.090  -4.920
   67    HB3  ASP   9           1HB      ASP   9   6.145   2.801  -4.818
   68    H    LEU  10           H        LEU  10   6.017   3.904  -2.246
   69    HA   LEU  10           HA       LEU  10   7.811   6.117  -2.712
   70    HB2  LEU  10           2HB      LEU  10   5.119   5.935  -2.596
   71    HB3  LEU  10           1HB      LEU  10   5.456   6.479  -0.964
   72    HG   LEU  10           HG       LEU  10   6.609   7.936  -3.318
   73   HD11  LEU  10          1HD1      LEU  10   3.796   7.895  -2.390
   74   HD12  LEU  10          2HD1      LEU  10   4.460   8.202  -3.995
   75   HD13  LEU  10          3HD1      LEU  10   4.504   9.465  -2.765
   76   HD21  LEU  10          3HD2      LEU  10   6.687   9.784  -1.794
   77   HD22  LEU  10          1HD2      LEU  10   7.412   8.383  -1.006
   78   HD23  LEU  10          2HD2      LEU  10   5.774   8.885  -0.581
   79    H    GLY  11           H        GLY  11   6.771   4.141  -0.004
   80    HA2  GLY  11           2HA      GLY  11   9.006   5.164   1.561
   81    HA3  GLY  11           1HA      GLY  11   7.407   5.423   2.239
  Start of MODEL    4
    1    H1   GLU   1           1HT      GLU   1  -3.557   6.789   2.618
    2    H2   GLU   1           2HT      GLU   1  -4.087   6.752   0.987
    3    H3   GLU   1           3HT      GLU   1  -3.141   5.463   1.616
    4    HA   GLU   1           HA       GLU   1  -4.837   4.719   2.969
    5    HB2  GLU   1           2HB      GLU   1  -5.874   7.461   2.453
    6    HB3  GLU   1           1HB      GLU   1  -7.060   6.192   2.719
    7    HG2  GLU   1           2HG      GLU   1  -4.787   6.713   4.610
    8    HG3  GLU   1           1HG      GLU   1  -6.352   7.513   4.744
    9    H    GLU   2           H        GLU   2  -7.071   3.889   2.276
   10    HA   GLU   2           HA       GLU   2  -8.302   2.710   0.772
   11    HB2  GLU   2           2HB      GLU   2  -8.433   5.239  -0.065
   12    HB3  GLU   2           1HB      GLU   2  -7.595   4.558  -1.452
   13    HG2  GLU   2           2HG      GLU   2  -9.532   2.761  -1.264
   14    HG3  GLU   2           1HG      GLU   2 -10.362   4.113  -0.495
   15    H    LEU   3           H        LEU   3  -5.390   2.213   1.020
   16    HA   LEU   3           HA       LEU   3  -5.084   0.688  -1.463
   17    HB2  LEU   3           2HB      LEU   3  -3.712   2.847  -1.420
   18    HB3  LEU   3           1HB      LEU   3  -2.758   2.082  -0.164
   19    HG   LEU   3           HG       LEU   3  -2.352   0.189  -1.824
   20   HD11  LEU   3          1HD1      LEU   3  -4.244   0.990  -3.323
   21   HD12  LEU   3          2HD1      LEU   3  -2.729   0.550  -4.114
   22   HD13  LEU   3          3HD1      LEU   3  -3.133   2.249  -3.865
   23   HD21  LEU   3          3HD2      LEU   3  -0.603   1.727  -1.261
   24   HD22  LEU   3          1HD2      LEU   3  -1.278   2.959  -2.327
   25   HD23  LEU   3          2HD2      LEU   3  -0.589   1.487  -3.008
   26    HA   PRO   4           HA       PRO   4  -4.433  -2.808   1.164
   27    HB2  PRO   4           2HB      PRO   4  -2.345  -3.924  -0.379
   28    HB3  PRO   4           1HB      PRO   4  -4.066  -4.297  -0.499
   29    HG2  PRO   4           2HG      PRO   4  -2.406  -2.460  -2.144
   30    HG3  PRO   4           1HG      PRO   4  -3.806  -3.438  -2.615
   31    HD2  PRO   4           2HD      PRO   4  -4.009  -0.791  -2.291
   32    HD3  PRO   4           1HD      PRO   4  -5.325  -1.881  -1.799
   33    H    TRP   5           H        TRP   5  -1.795  -0.752   0.132
   34    HA   TRP   5           HA       TRP   5  -0.425  -1.327   2.668
   35    HB2  TRP   5           2HB      TRP   5   1.756  -1.117   1.489
   36    HB3  TRP   5           1HB      TRP   5   0.819  -2.511   0.958
   37    HD1  TRP   5           HD       TRP   5   1.857   0.990  -0.235
   38    HE1  TRP   5           1HE      TRP   5   1.699   1.057  -2.802
   39    HE3  TRP   5           3HE      TRP   5  -0.225  -3.577  -1.007
   40    HZ2  TRP   5           2HZ      TRP   5   0.800  -0.629  -4.887
   41    HZ3  TRP   5           3HZ      TRP   5  -0.713  -4.295  -3.313
   42    HH2  TRP   5           HH       TRP   5  -0.208  -2.846  -5.213
   43    H    ASP   6           H        ASP   6   1.013   0.411   3.381
   44    HA   ASP   6           HA       ASP   6  -0.217   2.968   3.038
   45    HB2  ASP   6           2HB      ASP   6   1.230   1.821   5.042
   46    HB3  ASP   6           1HB      ASP   6   2.437   2.885   4.325
   47    H    GLU   7           H        GLU   7   3.196   2.023   2.601
   48    HA   GLU   7           HA       GLU   7   3.450   4.127   0.574
   49    HB2  GLU   7           2HB      GLU   7   5.867   3.893   0.887
   50    HB3  GLU   7           1HB      GLU   7   5.059   4.196   2.420
   51    HG2  GLU   7           2HG      GLU   7   6.267   2.488   3.178
   52    HG3  GLU   7           1HG      GLU   7   5.097   1.471   2.338
   53    H    LEU   8           H        LEU   8   3.916   3.692  -1.521
   54    HA   LEU   8           HA       LEU   8   3.730   0.922  -2.366
   55    HB2  LEU   8           2HB      LEU   8   2.580   3.019  -3.420
   56    HB3  LEU   8           1HB      LEU   8   4.117   3.225  -4.239
   57    HG   LEU   8           HG       LEU   8   2.987   0.514  -4.434
   58   HD11  LEU   8          1HD1      LEU   8   1.240   1.017  -5.947
   59   HD12  LEU   8          2HD1      LEU   8   1.661   2.730  -5.976
   60   HD13  LEU   8          3HD1      LEU   8   0.968   2.016  -4.519
   61   HD21  LEU   8          3HD2      LEU   8   4.534   0.546  -6.028
   62   HD22  LEU   8          1HD2      LEU   8   4.725   2.293  -5.888
   63   HD23  LEU   8          2HD2      LEU   8   3.487   1.624  -6.949
   64    H    ASP   9           H        ASP   9   6.012   1.069  -1.038
   65    HA   ASP   9           HA       ASP   9   8.259   0.730  -1.131
   66    HB2  ASP   9           2HB      ASP   9   7.543  -1.045  -2.689
   67    HB3  ASP   9           1HB      ASP   9   7.670   0.090  -4.029
   68    H    LEU  10           H        LEU  10   7.764   3.332  -1.129
   69    HA   LEU  10           HA       LEU  10   8.659   5.371  -1.593
   70    HB2  LEU  10           2HB      LEU  10  10.757   3.773  -1.534
   71    HB3  LEU  10           1HB      LEU  10  10.807   4.127  -3.250
   72    HG   LEU  10           HG       LEU  10  10.624   6.635  -2.302
   73   HD11  LEU  10          1HD1      LEU  10  11.471   6.976  -0.232
   74   HD12  LEU  10          2HD1      LEU  10  12.504   5.548  -0.298
   75   HD13  LEU  10          3HD1      LEU  10  10.783   5.376   0.045
   76   HD21  LEU  10          3HD2      LEU  10  13.287   6.373  -2.226
   77   HD22  LEU  10          1HD2      LEU  10  12.362   6.374  -3.730
   78   HD23  LEU  10          2HD2      LEU  10  12.869   4.847  -3.007
   79    H    GLY  11           H        GLY  11   6.609   4.523  -3.254
   80    HA2  GLY  11           2HA      GLY  11   7.001   6.249  -5.502
   81    HA3  GLY  11           1HA      GLY  11   6.980   4.560  -5.980
  Start of MODEL    5
    1    H1   GLU   1           1HT      GLU   1  -9.388   6.936  -0.450
    2    H2   GLU   1           2HT      GLU   1 -10.136   5.467  -0.926
    3    H3   GLU   1           3HT      GLU   1 -10.025   6.774  -2.034
    4    HA   GLU   1           HA       GLU   1  -8.393   5.350  -2.701
    5    HB2  GLU   1           2HB      GLU   1  -7.789   7.799  -2.191
    6    HB3  GLU   1           1HB      GLU   1  -6.930   7.167  -0.793
    7    HG2  GLU   1           2HG      GLU   1  -5.340   6.098  -2.085
    8    HG3  GLU   1           1HG      GLU   1  -6.375   6.068  -3.512
    9    H    GLU   2           H        GLU   2  -9.234   3.471  -1.271
   10    HA   GLU   2           HA       GLU   2  -7.525   2.855   0.992
   11    HB2  GLU   2           2HB      GLU   2 -10.046   1.823  -0.120
   12    HB3  GLU   2           1HB      GLU   2  -8.992   0.589   0.554
   13    HG2  GLU   2           2HG      GLU   2  -9.295   2.951   2.248
   14    HG3  GLU   2           1HG      GLU   2 -10.795   2.069   1.959
   15    H    LEU   3           H        LEU   3  -5.510   2.268   0.457
   16    HA   LEU   3           HA       LEU   3  -5.166   0.294  -1.701
   17    HB2  LEU   3           2HB      LEU   3  -4.050   2.559  -1.915
   18    HB3  LEU   3           1HB      LEU   3  -3.036   2.094  -0.562
   19    HG   LEU   3           HG       LEU   3  -2.393   0.051  -1.997
   20   HD11  LEU   3          1HD1      LEU   3  -2.979   1.741  -4.356
   21   HD12  LEU   3          2HD1      LEU   3  -4.324   0.844  -3.649
   22   HD13  LEU   3          3HD1      LEU   3  -2.887  -0.014  -4.209
   23   HD21  LEU   3          3HD2      LEU   3  -0.775   1.716  -1.528
   24   HD22  LEU   3          1HD2      LEU   3  -1.546   2.871  -2.613
   25   HD23  LEU   3          2HD2      LEU   3  -0.728   1.454  -3.270
   26    HA   PRO   4           HA       PRO   4  -4.082  -2.868   1.193
   27    HB2  PRO   4           2HB      PRO   4  -1.938  -3.916  -0.302
   28    HB3  PRO   4           1HB      PRO   4  -3.621  -4.441  -0.366
   29    HG2  PRO   4           2HG      PRO   4  -2.144  -2.588  -2.169
   30    HG3  PRO   4           1HG      PRO   4  -3.436  -3.740  -2.551
   31    HD2  PRO   4           2HD      PRO   4  -3.915  -1.113  -2.431
   32    HD3  PRO   4           1HD      PRO   4  -5.107  -2.289  -1.837
   33    H    TRP   5           H        TRP   5  -1.702  -0.648  -0.093
   34    HA   TRP   5           HA       TRP   5  -0.220  -0.865   2.433
   35    HB2  TRP   5           2HB      TRP   5   1.901  -0.526   1.161
   36    HB3  TRP   5           1HB      TRP   5   1.114  -2.065   0.822
   37    HD1  TRP   5           HD       TRP   5   1.713   1.375  -0.786
   38    HE1  TRP   5           1HE      TRP   5   1.497   1.129  -3.338
   39    HE3  TRP   5           3HE      TRP   5   0.162  -3.459  -0.975
   40    HZ2  TRP   5           2HZ      TRP   5   0.759  -0.877  -5.192
   41    HZ3  TRP   5           3HZ      TRP   5  -0.284  -4.487  -3.168
   42    HH2  TRP   5           HH       TRP   5   0.008  -3.217  -5.235
   43    H    ASP   6           H        ASP   6   1.243   1.058   2.767
   44    HA   ASP   6           HA       ASP   6  -0.105   3.485   1.780
   45    HB2  ASP   6           2HB      ASP   6   0.051   2.711   4.359
   46    HB3  ASP   6           1HB      ASP   6   1.542   3.641   4.240
   47    H    GLU   7           H        GLU   7   3.011   2.030   2.570
   48    HA   GLU   7           HA       GLU   7   4.288   3.946   0.757
   49    HB2  GLU   7           2HB      GLU   7   6.195   4.187   2.309
   50    HB3  GLU   7           1HB      GLU   7   4.700   4.821   2.982
   51    HG2  GLU   7           2HG      GLU   7   4.472   3.019   4.463
   52    HG3  GLU   7           1HG      GLU   7   5.660   2.048   3.594
   53    H    LEU   8           H        LEU   8   3.683   1.570  -0.188
   54    HA   LEU   8           HA       LEU   8   5.875  -0.290   0.260
   55    HB2  LEU   8           2HB      LEU   8   3.443  -0.978  -0.016
   56    HB3  LEU   8           1HB      LEU   8   3.620  -0.579  -1.713
   57    HG   LEU   8           HG       LEU   8   5.686  -2.401  -0.701
   58   HD11  LEU   8          1HD1      LEU   8   3.445  -2.987   0.497
   59   HD12  LEU   8          2HD1      LEU   8   4.409  -4.260  -0.251
   60   HD13  LEU   8          3HD1      LEU   8   2.991  -3.622  -1.084
   61   HD21  LEU   8          3HD2      LEU   8   5.662  -3.147  -2.828
   62   HD22  LEU   8          1HD2      LEU   8   4.815  -1.631  -3.131
   63   HD23  LEU   8          2HD2      LEU   8   3.903  -3.126  -2.930
   64    H    ASP   9           H        ASP   9   4.758   2.006  -2.120
   65    HA   ASP   9           HA       ASP   9   7.306   1.865  -3.476
   66    HB2  ASP   9           2HB      ASP   9   5.325   0.250  -4.476
   67    HB3  ASP   9           1HB      ASP   9   5.117   1.714  -5.431
   68    H    LEU  10           H        LEU  10   7.472   4.007  -2.708
   69    HA   LEU  10           HA       LEU  10   5.578   5.949  -3.818
   70    HB2  LEU  10           2HB      LEU  10   7.822   6.625  -1.947
   71    HB3  LEU  10           1HB      LEU  10   6.310   7.474  -2.200
   72    HG   LEU  10           HG       LEU  10   5.453   5.040  -1.257
   73   HD11  LEU  10          1HD1      LEU  10   6.857   4.125   0.245
   74   HD12  LEU  10          2HD1      LEU  10   7.529   5.683   0.727
   75   HD13  LEU  10          3HD1      LEU  10   8.096   4.895  -0.745
   76   HD21  LEU  10          3HD2      LEU  10   5.824   7.757  -0.156
   77   HD22  LEU  10          1HD2      LEU  10   5.497   6.469   1.004
   78   HD23  LEU  10          2HD2      LEU  10   4.364   6.780  -0.310
   79    H    GLY  11           H        GLY  11   7.358   4.680  -5.609
   80    HA2  GLY  11           2HA      GLY  11   8.483   6.970  -6.878
   81    HA3  GLY  11           1HA      GLY  11   9.737   5.968  -6.166
  Start of MODEL    6
    1    H1   GLU   1           1HT      GLU   1  -7.972   7.442  -1.002
    2    H2   GLU   1           2HT      GLU   1  -9.109   6.249  -0.521
    3    H3   GLU   1           3HT      GLU   1  -7.586   5.780  -1.160
    4    HA   GLU   1           HA       GLU   1  -6.457   6.632   0.693
    5    HB2  GLU   1           2HB      GLU   1  -8.537   8.376   0.845
    6    HB3  GLU   1           1HB      GLU   1  -8.929   7.292   2.173
    7    HG2  GLU   1           2HG      GLU   1  -6.396   8.872   1.807
    8    HG3  GLU   1           1HG      GLU   1  -7.653   9.132   3.015
    9    H    GLU   2           H        GLU   2  -7.174   4.141  -0.100
   10    HA   GLU   2           HA       GLU   2  -7.404   2.763   2.400
   11    HB2  GLU   2           2HB      GLU   2  -9.801   3.274   1.744
   12    HB3  GLU   2           1HB      GLU   2  -9.564   2.203   0.369
   13    HG2  GLU   2           2HG      GLU   2  -8.817   0.494   2.186
   14    HG3  GLU   2           1HG      GLU   2  -9.712   1.554   3.274
   15    H    LEU   3           H        LEU   3  -5.374   2.856   0.537
   16    HA   LEU   3           HA       LEU   3  -5.496   0.606  -1.237
   17    HB2  LEU   3           2HB      LEU   3  -4.099   2.712  -1.535
   18    HB3  LEU   3           1HB      LEU   3  -3.013   2.046  -0.329
   19    HG   LEU   3           HG       LEU   3  -2.827   0.004  -1.863
   20   HD11  LEU   3          1HD1      LEU   3  -3.669   0.021  -3.958
   21   HD12  LEU   3          2HD1      LEU   3  -3.489   1.766  -4.136
   22   HD13  LEU   3          3HD1      LEU   3  -4.852   1.108  -3.230
   23   HD21  LEU   3          3HD2      LEU   3  -1.187   1.198  -3.344
   24   HD22  LEU   3          1HD2      LEU   3  -0.974   1.468  -1.616
   25   HD23  LEU   3          2HD2      LEU   3  -1.736   2.707  -2.614
   26    HA   PRO   4           HA       PRO   4  -4.580  -2.732   1.513
   27    HB2  PRO   4           2HB      PRO   4  -2.764  -4.031  -0.211
   28    HB3  PRO   4           1HB      PRO   4  -4.498  -4.332  -0.082
   29    HG2  PRO   4           2HG      PRO   4  -3.005  -2.675  -2.047
   30    HG3  PRO   4           1HG      PRO   4  -4.485  -3.625  -2.267
   31    HD2  PRO   4           2HD      PRO   4  -4.553  -0.953  -2.098
   32    HD3  PRO   4           1HD      PRO   4  -5.832  -1.955  -1.378
   33    H    TRP   5           H        TRP   5  -2.051  -0.847  -0.004
   34    HA   TRP   5           HA       TRP   5  -0.356  -1.343   2.347
   35    HB2  TRP   5           2HB      TRP   5   1.641  -1.208   0.847
   36    HB3  TRP   5           1HB      TRP   5   0.638  -2.627   0.568
   37    HD1  TRP   5           HD       TRP   5   1.493   0.760  -1.028
   38    HE1  TRP   5           1HE      TRP   5   0.955   0.638  -3.542
   39    HE3  TRP   5           3HE      TRP   5  -0.707  -3.816  -1.129
   40    HZ2  TRP   5           2HZ      TRP   5  -0.256  -1.185  -5.334
   41    HZ3  TRP   5           3HZ      TRP   5  -1.537  -4.698  -3.275
   42    HH2  TRP   5           HH       TRP   5  -1.315  -3.403  -5.335
   43    H    ASP   6           H        ASP   6   0.957   0.392   3.005
   44    HA   ASP   6           HA       ASP   6   0.081   2.994   1.952
   45    HB2  ASP   6           2HB      ASP   6  -0.045   2.107   4.514
   46    HB3  ASP   6           1HB      ASP   6   1.523   2.908   4.529
   47    H    GLU   7           H        GLU   7   1.537   3.378   0.334
   48    HA   GLU   7           HA       GLU   7   3.486   4.008  -0.653
   49    HB2  GLU   7           2HB      GLU   7   4.033   4.638   2.229
   50    HB3  GLU   7           1HB      GLU   7   5.295   4.846   1.022
   51    HG2  GLU   7           2HG      GLU   7   4.078   6.495  -0.122
   52    HG3  GLU   7           1HG      GLU   7   2.586   6.099   0.729
   53    H    LEU   8           H        LEU   8   3.658   1.705  -1.229
   54    HA   LEU   8           HA       LEU   8   5.501   0.076   0.288
   55    HB2  LEU   8           2HB      LEU   8   3.425  -0.598  -1.224
   56    HB3  LEU   8           1HB      LEU   8   4.656  -0.652  -2.471
   57    HG   LEU   8           HG       LEU   8   5.889  -2.137  -0.611
   58   HD11  LEU   8          1HD1      LEU   8   4.082  -1.934   1.012
   59   HD12  LEU   8          2HD1      LEU   8   4.271  -3.605   0.479
   60   HD13  LEU   8          3HD1      LEU   8   2.949  -2.622  -0.151
   61   HD21  LEU   8          3HD2      LEU   8   5.150  -2.630  -3.030
   62   HD22  LEU   8          1HD2      LEU   8   3.757  -3.411  -2.284
   63   HD23  LEU   8          2HD2      LEU   8   5.385  -3.986  -1.927
   64    H    ASP   9           H        ASP   9   5.553   2.082  -2.571
   65    HA   ASP   9           HA       ASP   9   8.451   1.621  -2.771
   66    HB2  ASP   9           2HB      ASP   9   6.797   0.642  -4.637
   67    HB3  ASP   9           1HB      ASP   9   6.968   2.278  -5.263
   68    H    LEU  10           H        LEU  10   6.953   3.697  -1.397
   69    HA   LEU  10           HA       LEU  10   7.025   5.946  -1.071
   70    HB2  LEU  10           2HB      LEU  10   9.493   5.245  -2.096
   71    HB3  LEU  10           1HB      LEU  10   8.996   6.569  -3.134
   72    HG   LEU  10           HG       LEU  10   9.230   6.665  -0.125
   73   HD11  LEU  10          1HD1      LEU  10  10.818   8.369  -1.967
   74   HD12  LEU  10          2HD1      LEU  10  11.294   6.682  -1.772
   75   HD13  LEU  10          3HD1      LEU  10  11.222   7.746  -0.368
   76   HD21  LEU  10          3HD2      LEU  10   8.784   9.048  -1.866
   77   HD22  LEU  10          1HD2      LEU  10   8.441   8.829  -0.151
   78   HD23  LEU  10          2HD2      LEU  10   7.410   8.066  -1.361
   79    H    GLY  11           H        GLY  11   5.239   4.831  -3.070
   80    HA2  GLY  11           2HA      GLY  11   3.551   6.152  -4.161
   81    HA3  GLY  11           1HA      GLY  11   4.804   7.290  -4.628
  Start of MODEL    7
    1    H1   GLU   1           1HT      GLU   1 -12.047   6.479  -0.842
    2    H2   GLU   1           2HT      GLU   1 -10.874   7.137   0.224
    3    H3   GLU   1           3HT      GLU   1 -11.637   5.646   0.599
    4    HA   GLU   1           HA       GLU   1 -10.681   4.801  -1.532
    5    HB2  GLU   1           2HB      GLU   1  -9.550   7.521  -1.312
    6    HB3  GLU   1           1HB      GLU   1  -8.397   6.264  -1.739
    7    HG2  GLU   1           2HG      GLU   1 -10.986   6.711  -3.200
    8    HG3  GLU   1           1HG      GLU   1  -9.455   7.450  -3.667
    9    H    GLU   2           H        GLU   2  -9.096   3.284  -1.176
   10    HA   GLU   2           HA       GLU   2  -7.315   3.555   1.104
   11    HB2  GLU   2           2HB      GLU   2  -8.039   1.236   1.910
   12    HB3  GLU   2           1HB      GLU   2  -9.102   2.587   2.283
   13    HG2  GLU   2           2HG      GLU   2  -9.823   1.426  -0.240
   14    HG3  GLU   2           1HG      GLU   2  -9.760   0.187   1.011
   15    H    LEU   3           H        LEU   3  -5.528   2.169   1.033
   16    HA   LEU   3           HA       LEU   3  -5.290   0.519  -1.393
   17    HB2  LEU   3           2HB      LEU   3  -4.100   2.767  -1.496
   18    HB3  LEU   3           1HB      LEU   3  -3.033   2.151  -0.249
   19    HG   LEU   3           HG       LEU   3  -2.543   0.218  -1.861
   20   HD11  LEU   3          1HD1      LEU   3  -2.950   0.559  -4.176
   21   HD12  LEU   3          2HD1      LEU   3  -3.581   2.181  -3.891
   22   HD13  LEU   3          3HD1      LEU   3  -4.491   0.771  -3.343
   23   HD21  LEU   3          3HD2      LEU   3  -1.584   2.990  -1.884
   24   HD22  LEU   3          1HD2      LEU   3  -1.186   2.058  -3.327
   25   HD23  LEU   3          2HD2      LEU   3  -0.690   1.477  -1.737
   26    HA   PRO   4           HA       PRO   4  -4.199  -2.845   1.260
   27    HB2  PRO   4           2HB      PRO   4  -2.172  -3.884  -0.396
   28    HB3  PRO   4           1HB      PRO   4  -3.878  -4.339  -0.409
   29    HG2  PRO   4           2HG      PRO   4  -2.407  -2.439  -2.168
   30    HG3  PRO   4           1HG      PRO   4  -3.760  -3.517  -2.557
   31    HD2  PRO   4           2HD      PRO   4  -4.126  -0.885  -2.262
   32    HD3  PRO   4           1HD      PRO   4  -5.338  -2.050  -1.683
   33    H    TRP   5           H        TRP   5  -1.797  -0.643  -0.010
   34    HA   TRP   5           HA       TRP   5  -0.237  -1.012   2.446
   35    HB2  TRP   5           2HB      TRP   5   1.868  -0.870   1.167
   36    HB3  TRP   5           1HB      TRP   5   0.927  -2.290   0.725
   37    HD1  TRP   5           HD       TRP   5   1.893   1.168  -0.643
   38    HE1  TRP   5           1HE      TRP   5   1.660   1.126  -3.206
   39    HE3  TRP   5           3HE      TRP   5  -0.166  -3.446  -1.160
   40    HZ2  TRP   5           2HZ      TRP   5   0.716  -0.655  -5.191
   41    HZ3  TRP   5           3HZ      TRP   5  -0.714  -4.265  -3.419
   42    HH2  TRP   5           HH       TRP   5  -0.280  -2.894  -5.393
   43    H    ASP   6           H        ASP   6   0.582   0.834   3.313
   44    HA   ASP   6           HA       ASP   6  -0.515   3.309   2.472
   45    HB2  ASP   6           2HB      ASP   6   1.567   2.584   4.529
   46    HB3  ASP   6           1HB      ASP   6   1.066   4.248   4.242
   47    H    GLU   7           H        GLU   7   2.840   2.106   2.518
   48    HA   GLU   7           HA       GLU   7   3.417   3.659   0.131
   49    HB2  GLU   7           2HB      GLU   7   4.521   4.267   2.824
   50    HB3  GLU   7           1HB      GLU   7   5.629   4.355   1.461
   51    HG2  GLU   7           2HG      GLU   7   4.491   6.108   0.478
   52    HG3  GLU   7           1HG      GLU   7   2.995   5.756   1.343
   53    H    LEU   8           H        LEU   8   3.784   1.741  -0.950
   54    HA   LEU   8           HA       LEU   8   5.929   0.015   0.070
   55    HB2  LEU   8           2HB      LEU   8   3.604  -0.869  -0.614
   56    HB3  LEU   8           1HB      LEU   8   4.150  -0.624  -2.262
   57    HG   LEU   8           HG       LEU   8   6.220  -2.070  -1.314
   58   HD11  LEU   8          1HD1      LEU   8   3.807  -3.149   0.132
   59   HD12  LEU   8          2HD1      LEU   8   5.140  -2.288   0.902
   60   HD13  LEU   8          3HD1      LEU   8   5.431  -3.838   0.112
   61   HD21  LEU   8          3HD2      LEU   8   3.613  -2.977  -2.506
   62   HD22  LEU   8          1HD2      LEU   8   4.979  -4.066  -2.269
   63   HD23  LEU   8          2HD2      LEU   8   5.143  -2.664  -3.325
   64    H    ASP   9           H        ASP   9   4.962   2.003  -2.649
   65    HA   ASP   9           HA       ASP   9   7.067   1.247  -4.394
   66    HB2  ASP   9           2HB      ASP   9   6.471   3.312  -5.636
   67    HB3  ASP   9           1HB      ASP   9   5.068   2.315  -5.266
   68    H    LEU  10           H        LEU  10   6.768   3.611  -1.834
   69    HA   LEU  10           HA       LEU  10   9.538   4.474  -2.347
   70    HB2  LEU  10           2HB      LEU  10   7.669   6.198  -2.434
   71    HB3  LEU  10           1HB      LEU  10   7.500   5.962  -0.704
   72    HG   LEU  10           HG       LEU  10   9.786   6.737  -0.346
   73   HD11  LEU  10          1HD1      LEU  10  10.717   7.914  -2.557
   74   HD12  LEU  10          2HD1      LEU  10   9.877   6.550  -3.292
   75   HD13  LEU  10          3HD1      LEU  10  11.140   6.266  -2.094
   76   HD21  LEU  10          3HD2      LEU  10   7.862   8.336  -0.469
   77   HD22  LEU  10          1HD2      LEU  10   8.332   8.674  -2.135
   78   HD23  LEU  10          2HD2      LEU  10   9.439   9.047  -0.814
   79    H    GLY  11           H        GLY  11   9.941   2.333  -1.194
   80    HA2  GLY  11           2HA      GLY  11  10.236   2.917   1.674
   81    HA3  GLY  11           1HA      GLY  11   9.546   1.381   1.171
  Start of MODEL    8
    1    H1   GLU   1           1HT      GLU   1 -12.102   2.903  -3.425
    2    H2   GLU   1           2HT      GLU   1 -11.233   1.645  -2.646
    3    H3   GLU   1           3HT      GLU   1 -10.420   3.072  -3.145
    4    HA   GLU   1           HA       GLU   1 -11.984   4.288  -1.635
    5    HB2  GLU   1           2HB      GLU   1 -13.339   2.058  -1.485
    6    HB3  GLU   1           1HB      GLU   1 -12.160   1.630  -0.253
    7    HG2  GLU   1           2HG      GLU   1 -12.896   4.117   0.552
    8    HG3  GLU   1           1HG      GLU   1 -14.396   3.516  -0.154
    9    H    GLU   2           H        GLU   2  -9.880   1.483  -1.032
   10    HA   GLU   2           HA       GLU   2  -8.060   3.262   0.431
   11    HB2  GLU   2           2HB      GLU   2  -9.653   1.416   1.712
   12    HB3  GLU   2           1HB      GLU   2  -8.148   0.534   1.495
   13    HG2  GLU   2           2HG      GLU   2  -7.245   2.930   2.405
   14    HG3  GLU   2           1HG      GLU   2  -8.783   2.782   3.254
   15    H    LEU   3           H        LEU   3  -5.931   1.954   0.895
   16    HA   LEU   3           HA       LEU   3  -5.233   0.500  -1.572
   17    HB2  LEU   3           2HB      LEU   3  -4.276   2.822  -1.340
   18    HB3  LEU   3           1HB      LEU   3  -3.370   2.235   0.043
   19    HG   LEU   3           HG       LEU   3  -2.495   0.439  -1.659
   20   HD11  LEU   3          1HD1      LEU   3  -2.231   1.945  -3.871
   21   HD12  LEU   3          2HD1      LEU   3  -3.850   2.426  -3.362
   22   HD13  LEU   3          3HD1      LEU   3  -3.488   0.727  -3.662
   23   HD21  LEU   3          3HD2      LEU   3  -0.833   2.358  -2.449
   24   HD22  LEU   3          1HD2      LEU   3  -0.824   1.719  -0.805
   25   HD23  LEU   3          2HD2      LEU   3  -1.653   3.236  -1.158
   26    HA   PRO   4           HA       PRO   4  -4.199  -3.004   0.928
   27    HB2  PRO   4           2HB      PRO   4  -1.968  -3.792  -0.585
   28    HB3  PRO   4           1HB      PRO   4  -3.635  -4.323  -0.824
   29    HG2  PRO   4           2HG      PRO   4  -2.099  -2.202  -2.245
   30    HG3  PRO   4           1HG      PRO   4  -3.330  -3.314  -2.871
   31    HD2  PRO   4           2HD      PRO   4  -3.893  -0.741  -2.402
   32    HD3  PRO   4           1HD      PRO   4  -5.084  -2.016  -2.070
   33    H    TRP   5           H        TRP   5  -1.869  -0.539   0.091
   34    HA   TRP   5           HA       TRP   5  -0.521  -1.011   2.648
   35    HB2  TRP   5           2HB      TRP   5   1.686  -0.653   1.604
   36    HB3  TRP   5           1HB      TRP   5   0.888  -2.094   0.980
   37    HD1  TRP   5           HD       TRP   5   1.731   1.510  -0.064
   38    HE1  TRP   5           1HE      TRP   5   1.761   1.626  -2.635
   39    HE3  TRP   5           3HE      TRP   5   0.094  -3.191  -1.075
   40    HZ2  TRP   5           2HZ      TRP   5   1.163  -0.078  -4.813
   41    HZ3  TRP   5           3HZ      TRP   5  -0.157  -3.892  -3.423
   42    HH2  TRP   5           HH       TRP   5   0.367  -2.363  -5.255
   43    H    ASP   6           H        ASP   6   1.270   0.918   2.773
   44    HA   ASP   6           HA       ASP   6  -0.264   3.383   2.274
   45    HB2  ASP   6           2HB      ASP   6   1.530   2.574   4.552
   46    HB3  ASP   6           1HB      ASP   6   1.181   4.269   4.224
   47    H    GLU   7           H        GLU   7   3.042   2.099   2.550
   48    HA   GLU   7           HA       GLU   7   3.862   3.874   0.384
   49    HB2  GLU   7           2HB      GLU   7   5.866   4.612   1.616
   50    HB3  GLU   7           1HB      GLU   7   4.381   5.157   2.383
   51    HG2  GLU   7           2HG      GLU   7   4.796   2.826   3.687
   52    HG3  GLU   7           1HG      GLU   7   6.453   3.326   3.359
   53    H    LEU   8           H        LEU   8   3.820   1.767  -0.682
   54    HA   LEU   8           HA       LEU   8   6.040  -0.003   0.053
   55    HB2  LEU   8           2HB      LEU   8   3.546  -0.723  -0.454
   56    HB3  LEU   8           1HB      LEU   8   4.101  -0.661  -2.117
   57    HG   LEU   8           HG       LEU   8   5.690  -2.225  -0.127
   58   HD11  LEU   8          1HD1      LEU   8   3.515  -3.048   0.344
   59   HD12  LEU   8          2HD1      LEU   8   4.282  -4.213  -0.736
   60   HD13  LEU   8          3HD1      LEU   8   3.086  -3.081  -1.366
   61   HD21  LEU   8          3HD2      LEU   8   5.098  -3.175  -2.858
   62   HD22  LEU   8          1HD2      LEU   8   6.609  -3.193  -1.949
   63   HD23  LEU   8          2HD2      LEU   8   6.069  -1.709  -2.733
   64    H    ASP   9           H        ASP   9   4.852   2.086  -2.480
   65    HA   ASP   9           HA       ASP   9   6.646   1.277  -4.513
   66    HB2  ASP   9           2HB      ASP   9   4.627   3.311  -4.145
   67    HB3  ASP   9           1HB      ASP   9   6.042   3.989  -4.941
   68    H    LEU  10           H        LEU  10   7.108   3.081  -1.653
   69    HA   LEU  10           HA       LEU  10   8.947   4.063  -0.744
   70    HB2  LEU  10           2HB      LEU  10  10.472   3.206  -3.198
   71    HB3  LEU  10           1HB      LEU  10  11.118   3.576  -1.611
   72    HG   LEU  10           HG       LEU  10   9.180   1.398  -1.536
   73   HD11  LEU  10          1HD1      LEU  10  10.654  -0.257  -2.609
   74   HD12  LEU  10          2HD1      LEU  10  11.669   1.058  -3.200
   75   HD13  LEU  10          3HD1      LEU  10  10.002   0.915  -3.754
   76   HD21  LEU  10          3HD2      LEU  10  12.073   1.241  -0.796
   77   HD22  LEU  10          1HD2      LEU  10  10.679   0.479  -0.032
   78   HD23  LEU  10          2HD2      LEU  10  10.959   2.208   0.168
   79    H    GLY  11           H        GLY  11   7.160   5.607  -2.255
   80    HA2  GLY  11           2HA      GLY  11   8.898   7.847  -2.889
   81    HA3  GLY  11           1HA      GLY  11   7.926   7.249  -4.225
  Start of MODEL    9
    1    H1   GLU   1           1HT      GLU   1 -11.272   5.426  -1.561
    2    H2   GLU   1           2HT      GLU   1 -12.053   4.487  -0.357
    3    H3   GLU   1           3HT      GLU   1 -10.889   3.764  -1.390
    4    HA   GLU   1           HA       GLU   1  -9.249   5.346  -0.478
    5    HB2  GLU   1           2HB      GLU   1 -11.653   6.288   0.753
    6    HB3  GLU   1           1HB      GLU   1 -10.559   5.748   2.019
    7    HG2  GLU   1           2HG      GLU   1 -10.123   8.036   1.694
    8    HG3  GLU   1           1HG      GLU   1  -8.787   7.170   0.938
    9    H    GLU   2           H        GLU   2  -8.487   3.144  -0.591
   10    HA   GLU   2           HA       GLU   2  -7.855   2.042   1.902
   11    HB2  GLU   2           2HB      GLU   2 -10.410   1.394   1.357
   12    HB3  GLU   2           1HB      GLU   2  -9.596   0.073   0.529
   13    HG2  GLU   2           2HG      GLU   2  -8.514  -0.608   2.557
   14    HG3  GLU   2           1HG      GLU   2  -9.137   0.802   3.411
   15    H    LEU   3           H        LEU   3  -5.840   2.169   0.802
   16    HA   LEU   3           HA       LEU   3  -5.434   0.338  -1.434
   17    HB2  LEU   3           2HB      LEU   3  -4.528   2.708  -1.401
   18    HB3  LEU   3           1HB      LEU   3  -3.400   2.167  -0.172
   19    HG   LEU   3           HG       LEU   3  -2.665   0.397  -1.886
   20   HD11  LEU   3          1HD1      LEU   3  -4.653   0.834  -3.367
   21   HD12  LEU   3          2HD1      LEU   3  -3.086   0.820  -4.176
   22   HD13  LEU   3          3HD1      LEU   3  -3.882   2.354  -3.819
   23   HD21  LEU   3          3HD2      LEU   3  -1.940   3.046  -2.953
   24   HD22  LEU   3          1HD2      LEU   3  -0.915   1.728  -2.385
   25   HD23  LEU   3          2HD2      LEU   3  -1.680   2.811  -1.224
   26    HA   PRO   4           HA       PRO   4  -3.922  -3.030   1.001
   27    HB2  PRO   4           2HB      PRO   4  -1.833  -3.747  -0.735
   28    HB3  PRO   4           1HB      PRO   4  -3.483  -4.374  -0.765
   29    HG2  PRO   4           2HG      PRO   4  -2.240  -2.228  -2.412
   30    HG3  PRO   4           1HG      PRO   4  -3.474  -3.418  -2.859
   31    HD2  PRO   4           2HD      PRO   4  -4.113  -0.860  -2.397
   32    HD3  PRO   4           1HD      PRO   4  -5.189  -2.181  -1.895
   33    H    TRP   5           H        TRP   5  -1.830  -0.481  -0.151
   34    HA   TRP   5           HA       TRP   5  -0.194  -0.790   2.257
   35    HB2  TRP   5           2HB      TRP   5   1.875  -0.430   0.984
   36    HB3  TRP   5           1HB      TRP   5   1.057  -1.900   0.466
   37    HD1  TRP   5           HD       TRP   5   1.694   1.703  -0.714
   38    HE1  TRP   5           1HE      TRP   5   1.465   1.773  -3.276
   39    HE3  TRP   5           3HE      TRP   5   0.093  -3.055  -1.481
   40    HZ2  TRP   5           2HZ      TRP   5   0.697   0.017  -5.356
   41    HZ3  TRP   5           3HZ      TRP   5  -0.374  -3.804  -3.782
   42    HH2  TRP   5           HH       TRP   5  -0.078  -2.294  -5.681
   43    H    ASP   6           H        ASP   6   1.255   1.173   2.556
   44    HA   ASP   6           HA       ASP   6   0.061   3.604   1.430
   45    HB2  ASP   6           2HB      ASP   6   0.078   4.654   3.681
   46    HB3  ASP   6           1HB      ASP   6  -1.045   3.303   3.563
   47    H    GLU   7           H        GLU   7   2.716   1.952   1.430
   48    HA   GLU   7           HA       GLU   7   4.448   4.046   0.862
   49    HB2  GLU   7           2HB      GLU   7   4.097   3.862   3.603
   50    HB3  GLU   7           1HB      GLU   7   5.591   2.979   3.329
   51    HG2  GLU   7           2HG      GLU   7   6.166   5.101   1.871
   52    HG3  GLU   7           1HG      GLU   7   4.985   5.856   2.940
   53    H    LEU   8           H        LEU   8   3.779   1.534  -0.194
   54    HA   LEU   8           HA       LEU   8   6.151  -0.123   0.255
   55    HB2  LEU   8           2HB      LEU   8   3.726  -1.013   0.217
   56    HB3  LEU   8           1HB      LEU   8   3.843  -0.842  -1.524
   57    HG   LEU   8           HG       LEU   8   6.061  -2.328  -0.280
   58   HD11  LEU   8          1HD1      LEU   8   4.338  -4.372  -0.430
   59   HD12  LEU   8          2HD1      LEU   8   3.240  -3.106   0.122
   60   HD13  LEU   8          3HD1      LEU   8   4.677  -3.502   1.066
   61   HD21  LEU   8          3HD2      LEU   8   6.162  -2.451  -2.553
   62   HD22  LEU   8          1HD2      LEU   8   4.410  -2.385  -2.747
   63   HD23  LEU   8          2HD2      LEU   8   5.184  -3.884  -2.233
   64    H    ASP   9           H        ASP   9   4.684   1.979  -2.077
   65    HA   ASP   9           HA       ASP   9   6.549   1.132  -4.166
   66    HB2  ASP   9           2HB      ASP   9   4.004   2.667  -4.112
   67    HB3  ASP   9           1HB      ASP   9   5.168   3.086  -5.366
   68    H    LEU  10           H        LEU  10   7.513   2.493  -1.790
   69    HA   LEU  10           HA       LEU  10   8.424   5.038  -2.956
   70    HB2  LEU  10           2HB      LEU  10   7.165   5.109  -0.777
   71    HB3  LEU  10           1HB      LEU  10   8.502   4.238  -0.050
   72    HG   LEU  10           HG       LEU  10   9.897   6.260  -1.066
   73   HD11  LEU  10          1HD1      LEU  10   7.568   7.113  -1.949
   74   HD12  LEU  10          2HD1      LEU  10   8.791   8.236  -1.355
   75   HD13  LEU  10          3HD1      LEU  10   7.447   7.767  -0.314
   76   HD21  LEU  10          3HD2      LEU  10  10.164   6.909   1.081
   77   HD22  LEU  10          1HD2      LEU  10   9.228   5.450   1.406
   78   HD23  LEU  10          2HD2      LEU  10   8.429   7.023   1.377
   79    H    GLY  11           H        GLY  11   9.424   2.026  -1.474
   80    HA2  GLY  11           2HA      GLY  11  12.239   2.784  -1.588
   81    HA3  GLY  11           1HA      GLY  11  11.588   1.292  -0.926
  Start of MODEL   10
    1    H1   GLU   1           1HT      GLU   1  -9.473   7.922   0.424
    2    H2   GLU   1           2HT      GLU   1  -8.104   7.430   1.334
    3    H3   GLU   1           3HT      GLU   1  -9.619   6.660   1.574
    4    HA   GLU   1           HA       GLU   1  -9.513   5.993  -0.798
    5    HB2  GLU   1           2HB      GLU   1  -7.030   7.491  -0.456
    6    HB3  GLU   1           1HB      GLU   1  -6.761   5.892  -1.137
    7    HG2  GLU   1           2HG      GLU   1  -7.065   7.133  -3.030
    8    HG3  GLU   1           1HG      GLU   1  -8.706   6.558  -2.739
    9    H    GLU   2           H        GLU   2  -8.833   3.830  -1.210
   10    HA   GLU   2           HA       GLU   2  -7.802   2.451   1.183
   11    HB2  GLU   2           2HB      GLU   2 -10.229   2.047   0.524
   12    HB3  GLU   2           1HB      GLU   2  -9.605   1.222  -0.897
   13    HG2  GLU   2           2HG      GLU   2 -10.161  -0.373   0.825
   14    HG3  GLU   2           1HG      GLU   2  -8.420  -0.358   0.547
   15    H    LEU   3           H        LEU   3  -5.790   1.775   0.873
   16    HA   LEU   3           HA       LEU   3  -5.108   0.540  -1.705
   17    HB2  LEU   3           2HB      LEU   3  -4.187   2.875  -1.464
   18    HB3  LEU   3           1HB      LEU   3  -3.227   2.284  -0.121
   19    HG   LEU   3           HG       LEU   3  -2.289   0.568  -1.801
   20   HD11  LEU   3          1HD1      LEU   3  -4.173   1.489  -3.463
   21   HD12  LEU   3          2HD1      LEU   3  -2.643   0.809  -4.021
   22   HD13  LEU   3          3HD1      LEU   3  -2.844   2.558  -3.914
   23   HD21  LEU   3          3HD2      LEU   3  -1.380   2.934  -0.894
   24   HD22  LEU   3          1HD2      LEU   3  -1.396   3.252  -2.628
   25   HD23  LEU   3          2HD2      LEU   3  -0.474   1.891  -1.990
   26    HA   PRO   4           HA       PRO   4  -3.903  -2.991   0.674
   27    HB2  PRO   4           2HB      PRO   4  -1.693  -3.685  -0.914
   28    HB3  PRO   4           1HB      PRO   4  -3.352  -4.249  -1.128
   29    HG2  PRO   4           2HG      PRO   4  -1.900  -2.054  -2.523
   30    HG3  PRO   4           1HG      PRO   4  -3.116  -3.180  -3.153
   31    HD2  PRO   4           2HD      PRO   4  -3.733  -0.636  -2.604
   32    HD3  PRO   4           1HD      PRO   4  -4.883  -1.951  -2.282
   33    H    TRP   5           H        TRP   5  -1.636  -0.463  -0.177
   34    HA   TRP   5           HA       TRP   5  -0.219  -0.962   2.340
   35    HB2  TRP   5           2HB      TRP   5   1.951  -0.529   1.248
   36    HB3  TRP   5           1HB      TRP   5   1.168  -1.969   0.605
   37    HD1  TRP   5           HD       TRP   5   1.908   1.679  -0.360
   38    HE1  TRP   5           1HE      TRP   5   1.868   1.866  -2.926
   39    HE3  TRP   5           3HE      TRP   5   0.338  -3.023  -1.457
   40    HZ2  TRP   5           2HZ      TRP   5   1.241   0.211  -5.134
   41    HZ3  TRP   5           3HZ      TRP   5   0.034  -3.663  -3.814
   42    HH2  TRP   5           HH       TRP   5   0.478  -2.075  -5.617
   43    H    ASP   6           H        ASP   6   1.546   1.007   2.441
   44    HA   ASP   6           HA       ASP   6   0.009   3.468   1.925
   45    HB2  ASP   6           2HB      ASP   6   0.383   2.490   4.398
   46    HB3  ASP   6           1HB      ASP   6   1.878   3.408   4.233
   47    H    GLU   7           H        GLU   7   3.272   2.230   2.640
   48    HA   GLU   7           HA       GLU   7   4.330   4.170   0.700
   49    HB2  GLU   7           2HB      GLU   7   5.131   3.758   3.539
   50    HB3  GLU   7           1HB      GLU   7   6.403   4.090   2.372
   51    HG2  GLU   7           2HG      GLU   7   5.965   6.227   2.838
   52    HG3  GLU   7           1HG      GLU   7   4.608   6.013   1.733
   53    H    LEU   8           H        LEU   8   3.697   1.334   0.449
   54    HA   LEU   8           HA       LEU   8   6.146  -0.144   0.536
   55    HB2  LEU   8           2HB      LEU   8   3.786  -1.083   0.675
   56    HB3  LEU   8           1HB      LEU   8   3.687  -0.837  -1.059
   57    HG   LEU   8           HG       LEU   8   5.986  -2.414  -0.013
   58   HD11  LEU   8          1HD1      LEU   8   4.313  -4.423  -0.376
   59   HD12  LEU   8          2HD1      LEU   8   3.132  -3.224   0.146
   60   HD13  LEU   8          3HD1      LEU   8   4.488  -3.638   1.194
   61   HD21  LEU   8          3HD2      LEU   8   4.366  -3.276  -2.318
   62   HD22  LEU   8          1HD2      LEU   8   6.117  -3.176  -2.130
   63   HD23  LEU   8          2HD2      LEU   8   5.185  -1.723  -2.494
   64    H    ASP   9           H        ASP   9   4.443   1.744  -1.866
   65    HA   ASP   9           HA       ASP   9   6.790   1.654  -3.578
   66    HB2  ASP   9           2HB      ASP   9   4.479   0.081  -4.137
   67    HB3  ASP   9           1HB      ASP   9   4.543   1.383  -5.322
   68    H    LEU  10           H        LEU  10   5.483   3.658  -1.924
   69    HA   LEU  10           HA       LEU  10   4.280   5.497  -3.836
   70    HB2  LEU  10           2HB      LEU  10   3.836   5.032  -1.168
   71    HB3  LEU  10           1HB      LEU  10   4.816   6.486  -1.127
   72    HG   LEU  10           HG       LEU  10   2.465   7.067  -1.110
   73   HD11  LEU  10          1HD1      LEU  10   3.918   7.695  -3.666
   74   HD12  LEU  10          2HD1      LEU  10   3.820   8.669  -2.199
   75   HD13  LEU  10          3HD1      LEU  10   2.392   8.455  -3.213
   76   HD21  LEU  10          3HD2      LEU  10   0.894   6.349  -2.645
   77   HD22  LEU  10          1HD2      LEU  10   1.879   4.905  -2.420
   78   HD23  LEU  10          2HD2      LEU  10   2.112   5.916  -3.846
   79    H    GLY  11           H        GLY  11   7.248   5.033  -2.044
   80    HA2  GLY  11           2HA      GLY  11   8.529   7.064  -3.692
   81    HA3  GLY  11           1HA      GLY  11   8.541   7.361  -1.960