*HEADER    MEMBRANE PROTEIN, SIGNALING PROTEIN     08-FEB-15   2MZA              
*TITLE     PHOSPHORYLATION OF CB1 CANNABINOID RECEPTOR FOURTH INTRACELLULAR LOOP 
*TITLE    2 PEPDUCINS: EFFECTS ON STRUCTURE AND FUNCTION                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CANNABINOID RECEPTOR 1;                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 400-414;                                          
*COMPND   5 SYNONYM: CB-R, CB1, CANN6;                                           
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CUSTOM SYNTHESIS                                      
*KEYWDS    PHOSPHORYLATION, PROTEIN KINASE C, G PROTEIN COUPLED RECEPTOR,        
*KEYWDS   2 BRADYKININ, MEMBRANE PROTEIN, SIGNALING PROTEIN                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.GANJIWALE, K.ELDEEB, I.CHANDRASHEKARAN, A.HOWLETT, S.COWSIK         
*REVDAT   1   17-FEB-16 2MZA    0                                                


 1 ARG  HA      2 SER  H       3.50
 1 ARG  QB      3 LYS  H       4.50
 2 SER  H       3 LYS  H       2.80
 2 SER  HA      3 LYS  H       3.50
 2 SER  QB      3 LYS  H       4.00
 3 LYS  H       4 ASP  H       2.80
 3 LYS  HA      4 ASP  H       3.50
 3 LYS  HA     6  ARG  QB      4.50
 4 ASP  HA      6 ARG  H       5.00
 4 ASP  H       5 LEU  H       2.80
 4 ASP  HA      5 LEU  H       3.50
 4 ASP  HB2     5 LEU  H       3.50
 4 ASP  HB3     5 LEU  H       3.50
 4 ASP  HA      7 HIS  QB      4.50
 5 LEU  H       6 ARG  H       2.80
 5 LEU  H       7 HIS  H       4.20
 5 LEU  HA      7 HIS  H       3.80
 5 LEU  HA      6 ARG  H       3.50
 5 LEU  QB      6 ARG  H       3.50
 5 LEU  HA      8 ALA  H       4.50
 5 LEU  HA      9 PHE  H       5.00
 5 LEU  HA      8 ALA  QB      4.50 
 6 ARG  N       7 HIS  H       2.80
 6 ARG  H       7 HIS  H       2.80
 6 ARG  HA      7 HIS  H       3.50
 6 ARG  HA      9 PHE  H       4.20
 6 ARG  HA      8 ALA  H       3.80
 6 ARG  H       8 ALA  H       4.20
 6 ARG  QB      7 HIS  H       3.50
 6 ARG  H       8 ALA  H       4.20
 7 HIS  H       8 ALA  H       2.80
 6 ARG  HA      9 PHE  QB      4.50
 7 HIS  HA      8 ALA  H       3.40
 7 HIS  HA      9 PHE  H       3.80
 7 HIS  QB      8 ALA  H       3.80
 7 HIS  HA     10 ARG  H       4.20
 7 HIS  HA     10 ARG  QB      4.50
 7 HIS  H       9 PHE  H       4.20
 8 ALA  H       9 PHE  H       2.80
 8 ALA  HA      9 PHE  H       3.50
 8 ALA  HA     10 ARG  H       3.80
 8 ALA  H      10 ARG  H       4.20
 8 ALA  HA     11 SEP  HB2     4.50
 8 ALA  HA     11 SEP  HB3     4.50
 8 ALA  QB      9 PHE  H       3.50
 9 PHE  H      10 ARG  H       2.80
 9 PHE  HA     10 ARG  H       3.50
 9 PHE  H      11 SEP  H       4.20
 9 PHE  HB2    10 ARG  H       4.00
 9 PHE  HB3    10 ARG  H      4.00
 9 PHE  HA     12 MET  H      4.20
10 ARG  H      11 SEP  H       2.80
10 ARG  HA     11 SEP  H       3.50
10 ARG  H      12 MET  H       4.20
10 ARG  HA     12 MET  H       4.20
10 ARG  QB     11 SEP  H       3.50
10 ARG  HA     13 PHE  H       4.50
11 SEP  H      12 MET  H       2.80
11 SEP  HA     12 MET  H       3.50
11 SEP  HA     13 PHE  H       4.00
11 SEP  H      13 PHE  H       4.20
11 SEP  HB2    12 MET  H       4.50
11 SEP  HB3    12 MET  H       4.50
12 MET  H      13 PHE  H       2.80
12 MET  HA     13 PHE  H       3.50
12 MET  QB     13 PHE  H       3.50
13 PHE  HA     15 SER  H       4.20
14 PROO  QD    13 PHE  H      4.50
14 PROO  HA    15 SER  H       3.50
14 PROO  QB    15 SER  H       4.00
14 PROO  CD    14 PROO  CG       1.5
14 PROO  CD    14 PROO  CB      2.40
14 PROO  CD    14 PROO HG2     2.13
14 PROO  CG    14 PROO N      2.34
14 PROO  CG    14 PROO  HD2    2.13
15 SER  H      16 SER  H       2.80
15 SER  HA     16 SER  H       3.50
16 SER  HA     17 GLU  H       3.50
16 SER  H      17 GLU  H       2.80
17 GLU  H      17 GLU  HA      3.50
17 GLU  HA     17 GLU  QG      4.00
17 GLU  HA     17 GLU  QB      3.50
17 GLU  HB2    17 GLU  QG      4.00
17 GLU  HB2    17 GLU  HB3     4.00
17 GLU  HB3    17 GLU  QG      4.00
5 LEU O  8 ALA H  1.80
5 LEU O  8 ALA N  2.70
6 ARG O  9 PHE H  1.80
6 ARG O  9 PHE N  2.70
7 HIS O  10 ARG H 1.80
7 HIS O  10 ARG N 2.70
8 ALA O  11 SEP H 1.80
8 ALA O  11 SEP N 2.70
10 ARG O 13 PHE H 1.80
10 ARG O 13 PHE N 2.70
14 PROO CD 14 PROO CG 1.49
14 PROO CD 14 PROO CB 2.39
14 PROO CD 14 PROO HG2 2.12
14 PROO CG 14 PROO N  2.33
14 PROO CG 14 PROO HD2 2.12

2   SER  PHI  -90.0   -70.0
3  LYS  PHI   -90.0   -70.0
4  ASP  PHI   -90.0     -70.0
5  LEU  PHI   -75.0   -55.0
6  ARG  PHI   -75.0    -55.0
7 HIS   PHI   -75.0    -55.0
8  ALA PHI   -75.0   -55.0
9  PHE  PHI   -75.0    -55.0
10 ARG  PHI   -75.0   -55.0
11 SEP  PHI   -75.0    -55.0
12 MET  PHI   -75.0    -55.0
13 PHE  PHI   -90.0    -70.0
14 PROO PHI   -80.0     -40.0
14 PROO CHI1  -30.0    30.0
14 PROO CHI2  80.0     160.0
14 PROO CHI3  50.0      80.0
15 SER  PHI   -90.0    -70.0
16 SER  PHI   -90.0    -70.0
17 GLU  PHI   -90.0     -70.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           H        ARG   1   1.807   0.001   0.855
    2    HA   ARG   1           HA       ARG   1   3.085  -0.364  -1.021
    3    HB2  ARG   1           2HB      ARG   1   0.379  -0.724  -2.297
    4    HB3  ARG   1           3HB      ARG   1   1.864  -0.727  -3.239
    5    HG2  ARG   1           2HG      ARG   1   1.406  -2.579  -0.919
    6    HG3  ARG   1           3HG      ARG   1   0.957  -2.981  -2.578
    7    HD2  ARG   1           2HD      ARG   1   3.058  -3.494  -3.104
    8    HD3  ARG   1           3HD      ARG   1   3.661  -1.978  -2.436
    9    HE   ARG   1           HE       ARG   1   3.040  -3.790  -0.356
   10   HH11  ARG   1          1HH1      ARG   1   5.392  -3.191  -2.852
   11   HH12  ARG   1          2HH1      ARG   1   6.684  -3.975  -2.004
   12   HH21  ARG   1          1HH2      ARG   1   4.732  -4.826   0.770
   13   HH22  ARG   1          2HH2      ARG   1   6.307  -4.906   0.055
   14    H    SER   2           H        SER   2   3.311   0.740  -3.336
   15    HA   SER   2           HA       SER   2   3.139   3.583  -2.806
   16    HB2  SER   2           2HB      SER   2   4.643   3.865  -4.635
   17    HB3  SER   2           3HB      SER   2   5.185   2.426  -3.773
   18    HG   SER   2           HG       SER   2   5.091   2.149  -6.069
   19    H    LYS   3           H        LYS   3   1.654   1.207  -4.888
   20    HA   LYS   3           HA       LYS   3   0.360   3.163  -6.567
   21    HB2  LYS   3           2HB      LYS   3  -0.144   0.192  -6.318
   22    HB3  LYS   3           3HB      LYS   3  -0.749   1.239  -7.595
   23    HG2  LYS   3           2HG      LYS   3   2.178   0.808  -7.060
   24    HG3  LYS   3           3HG      LYS   3   1.238  -0.163  -8.196
   25    HD2  LYS   3           2HD      LYS   3   1.166   1.483  -9.737
   26    HD3  LYS   3           3HD      LYS   3   0.973   2.749  -8.522
   27    HE2  LYS   3           2HE      LYS   3   3.070   3.251  -9.276
   28    HE3  LYS   3           3HE      LYS   3   3.481   2.126  -7.982
   29    HZ1  LYS   3           3HZ      LYS   3   3.024   1.045 -10.666
   30    HZ2  LYS   3           1HZ      LYS   3   4.069   0.506  -9.449
   31    HZ3  LYS   3           2HZ      LYS   3   4.476   1.862 -10.374
   32    H    ASP   4           H        ASP   4  -0.351   1.434  -3.649
   33    HA   ASP   4           HA       ASP   4  -3.188   1.823  -3.738
   34    HB2  ASP   4           2HB      ASP   4  -1.291   0.490  -2.027
   35    HB3  ASP   4           3HB      ASP   4  -2.395   1.462  -1.058
   36    H    LEU   5           H        LEU   5  -0.456   3.652  -2.616
   37    HA   LEU   5           HA       LEU   5  -1.945   5.435  -0.943
   38    HB2  LEU   5           2HB      LEU   5   0.399   5.086  -0.527
   39    HB3  LEU   5           3HB      LEU   5   0.808   5.629  -2.153
   40    HG   LEU   5           HG       LEU   5  -0.119   7.891  -1.483
   41   HD11  LEU   5          1HD1      LEU   5   0.385   7.675   1.290
   42   HD12  LEU   5          2HD1      LEU   5  -0.779   6.421   0.863
   43   HD13  LEU   5          3HD1      LEU   5  -1.120   8.108   0.480
   44   HD21  LEU   5          3HD2      LEU   5   1.958   8.585  -0.826
   45   HD22  LEU   5          1HD2      LEU   5   2.356   6.988  -1.461
   46   HD23  LEU   5          2HD2      LEU   5   2.186   7.228   0.279
   47    H    ARG   6           H        ARG   6  -1.133   5.286  -4.317
   48    HA   ARG   6           HA       ARG   6  -1.411   7.951  -5.064
   49    HB2  ARG   6           2HB      ARG   6  -1.391   5.374  -6.379
   50    HB3  ARG   6           3HB      ARG   6  -2.558   6.451  -7.135
   51    HG2  ARG   6           2HG      ARG   6  -0.492   6.703  -8.278
   52    HG3  ARG   6           3HG      ARG   6  -0.748   8.160  -7.316
   53    HD2  ARG   6           2HD      ARG   6   0.663   6.966  -5.525
   54    HD3  ARG   6           3HD      ARG   6   1.153   5.891  -6.834
   55    HE   ARG   6           HE       ARG   6   1.496   8.590  -7.600
   56   HH11  ARG   6          1HH1      ARG   6   2.876   6.128  -5.561
   57   HH12  ARG   6          2HH1      ARG   6   4.476   6.790  -5.623
   58   HH21  ARG   6          1HH2      ARG   6   3.599   9.471  -7.690
   59   HH22  ARG   6          2HH2      ARG   6   4.886   8.691  -6.834
   60    H    HIS   7           H        HIS   7  -3.830   5.551  -4.286
   61    HA   HIS   7           HA       HIS   7  -6.045   7.055  -5.309
   62    HB2  HIS   7           2HB      HIS   7  -5.814   4.636  -3.528
   63    HB3  HIS   7           3HB      HIS   7  -7.370   5.388  -3.871
   64    HD1  HIS   7           HD1      HIS   7  -6.158   5.958  -6.944
   65    HD2  HIS   7           HD2      HIS   7  -6.840   2.369  -4.964
   66    HE1  HIS   7           HE1      HIS   7  -6.402   4.228  -8.753
   67    H    ALA   8           H        ALA   8  -4.174   7.143  -2.450
   68    HA   ALA   8           HA       ALA   8  -6.177   8.247  -0.725
   69    HB1  ALA   8           1HB      ALA   8  -4.664   7.902   0.870
   70    HB2  ALA   8           2HB      ALA   8  -3.645   7.177  -0.374
   71    HB3  ALA   8           3HB      ALA   8  -3.457   8.881   0.037
   72    H    PHE   9           H        PHE   9  -4.037   9.496  -3.122
   73    HA   PHE   9           HA       PHE   9  -3.789  12.150  -2.224
   74    HB2  PHE   9           2HB      PHE   9  -2.607  10.863  -4.188
   75    HB3  PHE   9           3HB      PHE   9  -3.934  11.511  -5.146
   76    HD1  PHE   9           HD1      PHE   9  -1.383  12.642  -2.673
   77    HD2  PHE   9           HD2      PHE   9  -3.654  13.554  -6.155
   78    HE1  PHE   9           HE1      PHE   9  -0.171  14.771  -2.901
   79    HE2  PHE   9           HE2      PHE   9  -2.446  15.684  -6.389
   80    HZ   PHE   9           HZ       PHE   9  -0.701  16.295  -4.762
   81    H    ARG  10           H        ARG  10  -6.377  10.449  -3.783
   82    HA   ARG  10           HA       ARG  10  -7.784  12.770  -4.692
   83    HB2  ARG  10           2HB      ARG  10  -8.033   9.960  -4.975
   84    HB3  ARG  10           3HB      ARG  10  -9.542  10.546  -4.288
   85    HG2  ARG  10           2HG      ARG  10  -8.990  12.356  -6.302
   86    HG3  ARG  10           3HG      ARG  10  -8.504  10.800  -6.978
   87    HD2  ARG  10           2HD      ARG  10 -10.778   9.968  -6.067
   88    HD3  ARG  10           3HD      ARG  10 -11.193  11.680  -5.997
   89    HE   ARG  10           HE       ARG  10 -10.274  11.379  -8.519
   90   HH11  ARG  10          1HH1      ARG  10 -12.654   9.679  -6.631
   91   HH12  ARG  10          2HH1      ARG  10 -13.625   9.251  -8.000
   92   HH21  ARG  10          1HH2      ARG  10 -11.543  10.820 -10.330
   93   HH22  ARG  10          2HH2      ARG  10 -12.991   9.899 -10.104
   94    H    SEP  11           H        SEP  11  -7.591  10.960  -1.704
   95    HA   SEP  11           HA       SEP  11 -10.098  11.783  -0.589
   96    HB2  SEP  11           2HB      SEP  11  -8.686   9.878   0.359
   97    HB3  SEP  11           3HB      SEP  11  -7.482  11.017   0.908
   98    H    MET  12           H        MET  12  -6.963  13.297  -0.771
   99    HA   MET  12           HA       MET  12  -7.573  15.490   0.939
  100    HB2  MET  12           2HB      MET  12  -5.272  14.532  -0.035
  101    HB3  MET  12           3HB      MET  12  -5.549  15.807  -1.214
  102    HG2  MET  12           2HG      MET  12  -4.861  17.356   0.205
  103    HG3  MET  12           3HG      MET  12  -5.990  16.802   1.439
  104    HE1  MET  12           3HE      MET  12  -1.625  16.752   1.699
  105    HE2  MET  12           1HE      MET  12  -2.653  17.497   0.475
  106    HE3  MET  12           2HE      MET  12  -2.820  17.961   2.169
  107    H    PHE  13           H        PHE  13  -8.159  14.777  -2.399
  108    HA   PHE  13           HA       PHE  13  -8.559  17.445  -3.295
  109    HB2  PHE  13           2HB      PHE  13  -8.858  14.749  -4.381
  110    HB3  PHE  13           3HB      PHE  13 -10.104  15.855  -4.951
  111    HD1  PHE  13           HD2      PHE  13  -6.471  16.274  -4.216
  112    HD2  PHE  13           HD1      PHE  13  -9.611  16.562  -7.074
  113    HE1  PHE  13           HE2      PHE  13  -4.889  17.204  -5.855
  114    HE2  PHE  13           HE1      PHE  13  -8.034  17.491  -8.718
  115    HZ   PHE  13           HZ       PHE  13  -5.670  17.815  -8.109
  116    HA   PRO  14           HA       PRO  14 -12.644  18.345  -1.963
  117    HB2  PRO  14           2HB      PRO  14 -13.678  19.676  -4.086
  118    HB3  PRO  14           3HB      PRO  14 -12.422  20.361  -3.047
  119    HG2  PRO  14           2HG      PRO  14 -12.172  19.082  -5.735
  120    HG3  PRO  14           3HG      PRO  14 -11.329  20.500  -5.083
  121    HD2  PRO  14           2HD      PRO  14 -10.243  18.014  -5.256
  122    HD3  PRO  14           3HD      PRO  14  -9.736  19.222  -4.059
  123    H    SER  15           H        SER  15 -12.198  16.415  -4.784
  124    HA   SER  15           HA       SER  15 -14.930  15.876  -5.356
  125    HB2  SER  15           2HB      SER  15 -13.653  13.699  -6.347
  126    HB3  SER  15           3HB      SER  15 -13.726  15.251  -7.181
  127    HG   SER  15           HG       SER  15 -11.670  15.556  -6.803
  128    H    SER  16           H        SER  16 -12.648  14.620  -3.072
  129    HA   SER  16           HA       SER  16 -13.974  12.160  -2.535
  130    HB2  SER  16           2HB      SER  16 -11.717  12.218  -1.876
  131    HB3  SER  16           3HB      SER  16 -11.898  13.779  -1.074
  132    HG   SER  16           HG       SER  16 -11.812  12.110   0.453
  133    H    GLU  17           H        GLU  17 -14.268  15.425  -1.311
  134    HA   GLU  17           HA       GLU  17 -16.047  14.635   0.835
  135    HB2  GLU  17           2HB      GLU  17 -14.395  16.841   0.349
  136    HB3  GLU  17           3HB      GLU  17 -16.033  17.472   0.258
  137    HG2  GLU  17           2HG      GLU  17 -16.153  15.924   2.498
  138    HG3  GLU  17           3HG      GLU  17 -14.502  16.537   2.561
  Start of MODEL    2
    1    H1   ARG   1           H        ARG   1   5.214   0.250  -1.781
    2    HA   ARG   1           HA       ARG   1   2.860  -0.425  -2.378
    3    HB2  ARG   1           2HB      ARG   1   2.393   0.434   0.481
    4    HB3  ARG   1           3HB      ARG   1   1.184  -0.147  -0.656
    5    HG2  ARG   1           2HG      ARG   1   3.496  -1.793   0.344
    6    HG3  ARG   1           3HG      ARG   1   1.874  -1.820   1.038
    7    HD2  ARG   1           2HD      ARG   1   1.585  -3.530  -0.406
    8    HD3  ARG   1           3HD      ARG   1   1.277  -2.226  -1.551
    9    HE   ARG   1           HE       ARG   1   3.999  -2.669  -1.611
   10   HH11  ARG   1          1HH1      ARG   1   1.106  -4.499  -2.251
   11   HH12  ARG   1          2HH1      ARG   1   1.853  -5.509  -3.444
   12   HH21  ARG   1          1HH2      ARG   1   4.993  -3.993  -3.180
   13   HH22  ARG   1          2HH2      ARG   1   4.064  -5.221  -3.971
   14    H    SER   2           H        SER   2   4.284   1.545  -3.291
   15    HA   SER   2           HA       SER   2   3.434   4.131  -2.358
   16    HB2  SER   2           2HB      SER   2   5.641   3.352  -3.658
   17    HB3  SER   2           3HB      SER   2   4.667   3.824  -5.050
   18    HG   SER   2           HG       SER   2   5.880   5.579  -4.250
   19    H    LYS   3           H        LYS   3   2.426   1.848  -4.775
   20    HA   LYS   3           HA       LYS   3   0.875   3.648  -6.345
   21    HB2  LYS   3           2HB      LYS   3   1.706   1.048  -6.627
   22    HB3  LYS   3           3HB      LYS   3  -0.010   0.848  -6.298
   23    HG2  LYS   3           2HG      LYS   3  -0.523   2.383  -8.149
   24    HG3  LYS   3           3HG      LYS   3   1.203   2.510  -8.497
   25    HD2  LYS   3           2HD      LYS   3   0.667   0.854  -9.966
   26    HD3  LYS   3           3HD      LYS   3   0.991  -0.140  -8.543
   27    HE2  LYS   3           2HE      LYS   3  -1.062  -0.881  -9.524
   28    HE3  LYS   3           3HE      LYS   3  -1.440  -0.055  -8.014
   29    HZ1  LYS   3           3HZ      LYS   3  -2.912   1.040  -9.272
   30    HZ2  LYS   3           1HZ      LYS   3  -2.138   0.652 -10.726
   31    HZ3  LYS   3           2HZ      LYS   3  -1.583   1.948  -9.792
   32    H    ASP   4           H        ASP   4   0.286   1.787  -3.454
   33    HA   ASP   4           HA       ASP   4  -2.553   1.972  -3.497
   34    HB2  ASP   4           2HB      ASP   4  -0.525   0.875  -1.765
   35    HB3  ASP   4           3HB      ASP   4  -1.717   1.758  -0.817
   36    H    LEU   5           H        LEU   5   0.011   4.052  -2.375
   37    HA   LEU   5           HA       LEU   5  -1.662   5.745  -0.786
   38    HB2  LEU   5           2HB      LEU   5   1.126   5.493  -1.390
   39    HB3  LEU   5           3HB      LEU   5   0.627   7.169  -1.610
   40    HG   LEU   5           HG       LEU   5  -0.468   6.390   0.842
   41   HD11  LEU   5          1HD1      LEU   5   1.141   5.297   2.070
   42   HD12  LEU   5          2HD1      LEU   5   2.436   5.715   0.949
   43   HD13  LEU   5          3HD1      LEU   5   1.265   4.470   0.517
   44   HD21  LEU   5          3HD2      LEU   5   0.756   8.166   1.673
   45   HD22  LEU   5          1HD2      LEU   5   0.651   8.558  -0.043
   46   HD23  LEU   5          2HD2      LEU   5   2.130   7.853   0.612
   47    H    ARG   6           H        ARG   6  -0.742   5.591  -4.132
   48    HA   ARG   6           HA       ARG   6  -1.208   8.209  -4.948
   49    HB2  ARG   6           2HB      ARG   6  -0.861   5.651  -6.194
   50    HB3  ARG   6           3HB      ARG   6  -2.187   6.496  -6.980
   51    HG2  ARG   6           2HG      ARG   6  -0.430   7.242  -8.224
   52    HG3  ARG   6           3HG      ARG   6  -0.487   8.496  -6.983
   53    HD2  ARG   6           2HD      ARG   6   1.115   6.368  -6.005
   54    HD3  ARG   6           3HD      ARG   6   1.649   6.738  -7.644
   55    HE   ARG   6           HE       ARG   6   2.009   8.350  -5.316
   56   HH11  ARG   6          1HH1      ARG   6   1.581   8.455  -8.769
   57   HH12  ARG   6          2HH1      ARG   6   2.388   9.977  -8.954
   58   HH21  ARG   6          1HH2      ARG   6   3.074  10.354  -5.547
   59   HH22  ARG   6          2HH2      ARG   6   3.238  11.056  -7.121
   60    H    HIS   7           H        HIS   7  -3.452   5.640  -4.183
   61    HA   HIS   7           HA       HIS   7  -5.748   6.941  -5.300
   62    HB2  HIS   7           2HB      HIS   7  -5.153   4.394  -4.206
   63    HB3  HIS   7           3HB      HIS   7  -6.471   5.070  -3.253
   64    HD1  HIS   7           HD1      HIS   7  -8.129   6.459  -5.363
   65    HD2  HIS   7           HD2      HIS   7  -6.399   2.726  -5.935
   66    HE1  HIS   7           HE1      HIS   7  -9.485   5.361  -7.174
   67    H    ALA   8           H        ALA   8  -3.974   7.237  -2.394
   68    HA   ALA   8           HA       ALA   8  -6.109   8.213  -0.750
   69    HB1  ALA   8           1HB      ALA   8  -4.619   8.071   0.903
   70    HB2  ALA   8           2HB      ALA   8  -3.544   7.328  -0.282
   71    HB3  ALA   8           3HB      ALA   8  -3.441   9.059   0.039
   72    H    PHE   9           H        PHE   9  -4.005   9.579  -3.115
   73    HA   PHE   9           HA       PHE   9  -3.970  12.259  -2.282
   74    HB2  PHE   9           2HB      PHE   9  -2.638  11.089  -4.172
   75    HB3  PHE   9           3HB      PHE   9  -4.033  11.462  -5.180
   76    HD1  PHE   9           HD1      PHE   9  -2.086  13.319  -2.590
   77    HD2  PHE   9           HD2      PHE   9  -3.661  13.259  -6.543
   78    HE1  PHE   9           HE1      PHE   9  -1.195  15.580  -2.975
   79    HE2  PHE   9           HE2      PHE   9  -2.772  15.519  -6.936
   80    HZ   PHE   9           HZ       PHE   9  -1.537  16.682  -5.151
   81    H    ARG  10           H        ARG  10  -6.429  10.344  -3.793
   82    HA   ARG  10           HA       ARG  10  -7.992  12.526  -4.779
   83    HB2  ARG  10           2HB      ARG  10  -8.212   9.606  -4.652
   84    HB3  ARG  10           3HB      ARG  10  -9.753  10.435  -4.477
   85    HG2  ARG  10           2HG      ARG  10  -9.837  10.912  -6.642
   86    HG3  ARG  10           3HG      ARG  10  -8.193  11.553  -6.636
   87    HD2  ARG  10           2HD      ARG  10  -7.456   9.091  -6.598
   88    HD3  ARG  10           3HD      ARG  10  -9.114   8.733  -7.079
   89    HE   ARG  10           HE       ARG  10  -8.652   9.543  -9.176
   90   HH11  ARG  10          1HH1      ARG  10  -6.101  10.457  -6.989
   91   HH12  ARG  10          2HH1      ARG  10  -5.061  11.046  -8.243
   92   HH21  ARG  10          1HH2      ARG  10  -7.290  10.316 -10.835
   93   HH22  ARG  10          2HH2      ARG  10  -5.738  10.967 -10.430
   94    H    SEP  11           H        SEP  11  -7.673  10.857  -1.720
   95    HA   SEP  11           HA       SEP  11 -10.234  11.635  -0.647
   96    HB2  SEP  11           2HB      SEP  11  -8.718   9.748   0.292
   97    HB3  SEP  11           3HB      SEP  11  -7.661  10.965   0.962
   98    H    MET  12           H        MET  12  -7.103  13.158  -0.813
   99    HA   MET  12           HA       MET  12  -7.731  15.361   0.877
  100    HB2  MET  12           2HB      MET  12  -5.413  14.534   0.227
  101    HB3  MET  12           3HB      MET  12  -5.660  15.342  -1.316
  102    HG2  MET  12           2HG      MET  12  -4.807  17.157  -0.381
  103    HG3  MET  12           3HG      MET  12  -6.294  17.274   0.557
  104    HE1  MET  12           3HE      MET  12  -2.786  15.916   0.275
  105    HE2  MET  12           1HE      MET  12  -2.256  15.606   1.929
  106    HE3  MET  12           2HE      MET  12  -3.333  14.467   1.120
  107    H    PHE  13           H        PHE  13  -8.310  14.622  -2.457
  108    HA   PHE  13           HA       PHE  13  -8.718  17.281  -3.374
  109    HB2  PHE  13           2HB      PHE  13  -9.057  14.566  -4.432
  110    HB3  PHE  13           3HB      PHE  13 -10.243  15.716  -5.042
  111    HD1  PHE  13           HD2      PHE  13  -6.582  15.782  -4.299
  112    HD2  PHE  13           HD1      PHE  13  -9.700  16.594  -7.079
  113    HE1  PHE  13           HE2      PHE  13  -4.924  16.631  -5.905
  114    HE2  PHE  13           HE1      PHE  13  -8.047  17.444  -8.691
  115    HZ   PHE  13           HZ       PHE  13  -5.655  17.464  -8.104
  116    HA   PRO  14           HA       PRO  14 -12.807  18.177  -2.051
  117    HB2  PRO  14           2HB      PRO  14 -13.843  19.490  -4.185
  118    HB3  PRO  14           3HB      PRO  14 -12.590  20.186  -3.150
  119    HG2  PRO  14           2HG      PRO  14 -12.335  18.893  -5.830
  120    HG3  PRO  14           3HG      PRO  14 -11.492  20.313  -5.183
  121    HD2  PRO  14           2HD      PRO  14 -10.402  17.829  -5.340
  122    HD3  PRO  14           3HD      PRO  14  -9.900  19.048  -4.152
  123    H    SER  15           H        SER  15 -12.349  16.221  -4.849
  124    HA   SER  15           HA       SER  15 -15.078  15.672  -5.428
  125    HB2  SER  15           2HB      SER  15 -12.451  14.472  -6.196
  126    HB3  SER  15           3HB      SER  15 -13.917  13.532  -6.478
  127    HG   SER  15           HG       SER  15 -13.285  14.907  -8.254
  128    H    SER  16           H        SER  16 -12.807  14.446  -3.117
  129    HA   SER  16           HA       SER  16 -14.167  12.001  -2.555
  130    HB2  SER  16           2HB      SER  16 -12.028  11.800  -1.785
  131    HB3  SER  16           3HB      SER  16 -11.895  13.516  -1.397
  132    HG   SER  16           HG       SER  16 -12.015  11.894   0.401
  133    H    GLU  17           H        GLU  17 -14.360  15.281  -1.348
  134    HA   GLU  17           HA       GLU  17 -16.102  14.556   0.847
  135    HB2  GLU  17           2HB      GLU  17 -14.415  16.696   0.336
  136    HB3  GLU  17           3HB      GLU  17 -16.022  17.387   0.154
  137    HG2  GLU  17           2HG      GLU  17 -15.451  17.720   2.397
  138    HG3  GLU  17           3HG      GLU  17 -16.569  16.357   2.400
  Start of MODEL    3
    1    H1   ARG   1           H        ARG   1   3.263   0.349   1.193
    2    HA   ARG   1           HA       ARG   1   3.917   0.649  -0.988
    3    HB2  ARG   1           2HB      ARG   1   0.994  -0.046  -1.122
    4    HB3  ARG   1           3HB      ARG   1   1.951   0.154  -2.583
    5    HG2  ARG   1           2HG      ARG   1   3.034  -1.645  -0.498
    6    HG3  ARG   1           3HG      ARG   1   1.617  -2.197  -1.394
    7    HD2  ARG   1           2HD      ARG   1   3.280  -1.171  -3.351
    8    HD3  ARG   1           3HD      ARG   1   4.388  -1.973  -2.239
    9    HE   ARG   1           HE       ARG   1   2.337  -3.757  -2.663
   10   HH11  ARG   1          1HH1      ARG   1   4.692  -2.103  -4.623
   11   HH12  ARG   1          2HH1      ARG   1   4.780  -3.361  -5.811
   12   HH21  ARG   1          1HH2      ARG   1   2.444  -5.421  -4.221
   13   HH22  ARG   1          2HH2      ARG   1   3.500  -5.247  -5.581
   14    H    SER   2           H        SER   2   4.058   2.071  -2.731
   15    HA   SER   2           HA       SER   2   3.093   4.725  -2.194
   16    HB2  SER   2           2HB      SER   2   4.591   3.753  -4.635
   17    HB3  SER   2           3HB      SER   2   4.459   5.414  -4.057
   18    HG   SER   2           HG       SER   2   6.452   4.294  -3.501
   19    H    LYS   3           H        LYS   3   2.233   2.095  -4.301
   20    HA   LYS   3           HA       LYS   3   0.636   3.617  -6.109
   21    HB2  LYS   3           2HB      LYS   3   0.983   0.702  -5.519
   22    HB3  LYS   3           3HB      LYS   3  -0.371   1.226  -6.512
   23    HG2  LYS   3           2HG      LYS   3   1.045   2.078  -8.182
   24    HG3  LYS   3           3HG      LYS   3   2.459   2.014  -7.127
   25    HD2  LYS   3           2HD      LYS   3   1.749  -0.578  -7.095
   26    HD3  LYS   3           3HD      LYS   3   1.155  -0.126  -8.695
   27    HE2  LYS   3           2HE      LYS   3   3.623   1.039  -8.658
   28    HE3  LYS   3           3HE      LYS   3   3.900  -0.421  -7.711
   29    HZ1  LYS   3           3HZ      LYS   3   4.116  -0.430 -10.306
   30    HZ2  LYS   3           1HZ      LYS   3   2.442  -0.665 -10.239
   31    HZ3  LYS   3           2HZ      LYS   3   3.481  -1.765  -9.484
   32    H    ASP   4           H        ASP   4   0.066   2.024  -3.051
   33    HA   ASP   4           HA       ASP   4  -2.794   2.182  -3.202
   34    HB2  ASP   4           2HB      ASP   4  -0.801   1.164  -1.324
   35    HB3  ASP   4           3HB      ASP   4  -2.166   1.932  -0.519
   36    H    LEU   5           H        LEU   5  -0.221   4.226  -2.046
   37    HA   LEU   5           HA       LEU   5  -1.894   5.958  -0.498
   38    HB2  LEU   5           2HB      LEU   5   0.909   6.205  -1.556
   39    HB3  LEU   5           3HB      LEU   5   0.128   7.482  -0.627
   40    HG   LEU   5           HG       LEU   5   0.600   4.685   0.397
   41   HD11  LEU   5          1HD1      LEU   5   2.323   7.082   0.331
   42   HD12  LEU   5          2HD1      LEU   5   2.752   5.373   0.397
   43   HD13  LEU   5          3HD1      LEU   5   2.241   6.211   1.862
   44   HD21  LEU   5          3HD2      LEU   5  -0.783   5.294   2.022
   45   HD22  LEU   5          1HD2      LEU   5  -0.954   6.907   1.331
   46   HD23  LEU   5          2HD2      LEU   5   0.355   6.568   2.463
   47    H    ARG   6           H        ARG   6  -0.922   5.763  -3.826
   48    HA   ARG   6           HA       ARG   6  -1.333   8.381  -4.670
   49    HB2  ARG   6           2HB      ARG   6  -0.975   5.823  -5.888
   50    HB3  ARG   6           3HB      ARG   6  -2.311   6.637  -6.691
   51    HG2  ARG   6           2HG      ARG   6  -0.951   8.055  -7.733
   52    HG3  ARG   6           3HG      ARG   6  -0.037   8.391  -6.261
   53    HD2  ARG   6           2HD      ARG   6   1.530   6.815  -6.714
   54    HD3  ARG   6           3HD      ARG   6   0.374   5.737  -7.494
   55    HE   ARG   6           HE       ARG   6   0.850   8.075  -9.049
   56   HH11  ARG   6          1HH1      ARG   6   2.182   4.976  -8.186
   57   HH12  ARG   6          2HH1      ARG   6   3.092   4.813  -9.652
   58   HH21  ARG   6          1HH2      ARG   6   2.044   7.873 -10.982
   59   HH22  ARG   6          2HH2      ARG   6   3.014   6.462 -11.241
   60    H    HIS   7           H        HIS   7  -3.629   5.855  -3.922
   61    HA   HIS   7           HA       HIS   7  -5.886   7.183  -5.087
   62    HB2  HIS   7           2HB      HIS   7  -5.351   4.660  -3.787
   63    HB3  HIS   7           3HB      HIS   7  -6.813   5.390  -3.131
   64    HD1  HIS   7           HD1      HIS   7  -8.721   4.307  -4.265
   65    HD2  HIS   7           HD2      HIS   7  -5.633   5.154  -6.912
   66    HE1  HIS   7           HE1      HIS   7  -9.579   3.643  -6.533
   67    H    ALA   8           H        ALA   8  -4.155   7.474  -2.154
   68    HA   ALA   8           HA       ALA   8  -6.300   8.498  -0.553
   69    HB1  ALA   8           1HB      ALA   8  -4.840   8.165   1.082
   70    HB2  ALA   8           2HB      ALA   8  -3.637   7.689  -0.117
   71    HB3  ALA   8           3HB      ALA   8  -3.752   9.372   0.397
   72    H    PHE   9           H        PHE   9  -4.136   9.811  -2.894
   73    HA   PHE   9           HA       PHE   9  -4.096  12.501  -2.072
   74    HB2  PHE   9           2HB      PHE   9  -3.057  11.011  -4.205
   75    HB3  PHE   9           3HB      PHE   9  -4.081  12.232  -4.955
   76    HD1  PHE   9           HD2      PHE   9  -3.735  14.670  -4.124
   77    HD2  PHE   9           HD1      PHE   9  -0.893  11.542  -3.620
   78    HE1  PHE   9           HE2      PHE   9  -1.951  16.341  -3.838
   79    HE2  PHE   9           HE1      PHE   9   0.895  13.208  -3.332
   80    HZ   PHE   9           HZ       PHE   9   0.367  15.611  -3.442
   81    H    ARG  10           H        ARG  10  -6.504  10.591  -3.671
   82    HA   ARG  10           HA       ARG  10  -8.008  12.769  -4.746
   83    HB2  ARG  10           2HB      ARG  10  -8.031  10.215  -5.356
   84    HB3  ARG  10           3HB      ARG  10  -9.243  10.124  -4.085
   85    HG2  ARG  10           2HG      ARG  10 -10.787  10.774  -5.525
   86    HG3  ARG  10           3HG      ARG  10  -9.931  12.301  -5.750
   87    HD2  ARG  10           2HD      ARG  10 -10.048  11.444  -7.905
   88    HD3  ARG  10           3HD      ARG  10  -8.438  10.963  -7.373
   89    HE   ARG  10           HE       ARG  10 -10.196   8.893  -6.747
   90   HH11  ARG  10          1HH1      ARG  10  -8.912  10.485  -9.564
   91   HH12  ARG  10          2HH1      ARG  10  -9.029   9.081 -10.571
   92   HH21  ARG  10          1HH2      ARG  10 -10.355   7.037  -8.064
   93   HH22  ARG  10          2HH2      ARG  10  -9.850   7.121  -9.718
   94    H    SEP  11           H        SEP  11  -7.819  11.162  -1.645
   95    HA   SEP  11           HA       SEP  11 -10.414  11.992  -0.690
   96    HB2  SEP  11           2HB      SEP  11  -8.828  10.112   0.305
   97    HB3  SEP  11           3HB      SEP  11  -7.979  11.393   1.132
   98    H    MET  12           H        MET  12  -7.251  13.456  -0.750
   99    HA   MET  12           HA       MET  12  -7.872  15.684   0.894
  100    HB2  MET  12           2HB      MET  12  -5.643  14.804  -0.779
  101    HB3  MET  12           3HB      MET  12  -5.865  16.548  -0.795
  102    HG2  MET  12           2HG      MET  12  -5.871  15.134   1.819
  103    HG3  MET  12           3HG      MET  12  -4.338  15.377   0.985
  104    HE1  MET  12           3HE      MET  12  -3.215  16.472   2.414
  105    HE2  MET  12           1HE      MET  12  -3.093  18.223   2.242
  106    HE3  MET  12           2HE      MET  12  -3.891  17.530   3.653
  107    H    PHE  13           H        PHE  13  -8.438  14.932  -2.439
  108    HA   PHE  13           HA       PHE  13  -8.809  17.590  -3.375
  109    HB2  PHE  13           2HB      PHE  13  -9.228  14.865  -4.413
  110    HB3  PHE  13           3HB      PHE  13 -10.323  16.078  -5.068
  111    HD1  PHE  13           HD2      PHE  13  -6.704  16.085  -4.151
  112    HD2  PHE  13           HD1      PHE  13  -9.652  16.757  -7.148
  113    HE1  PHE  13           HE2      PHE  13  -4.948  16.824  -5.708
  114    HE2  PHE  13           HE1      PHE  13  -7.900  17.496  -8.710
  115    HZ   PHE  13           HZ       PHE  13  -5.545  17.531  -7.990
  116    HA   PRO  14           HA       PRO  14 -12.896  18.542  -2.084
  117    HB2  PRO  14           2HB      PRO  14 -13.903  19.853  -4.232
  118    HB3  PRO  14           3HB      PRO  14 -12.649  20.541  -3.193
  119    HG2  PRO  14           2HG      PRO  14 -12.389  19.225  -5.862
  120    HG3  PRO  14           3HG      PRO  14 -11.540  20.644  -5.223
  121    HD2  PRO  14           2HD      PRO  14 -10.475  18.146  -5.355
  122    HD3  PRO  14           3HD      PRO  14  -9.965  19.366  -4.171
  123    H    SER  15           H        SER  15 -12.443  16.563  -4.866
  124    HA   SER  15           HA       SER  15 -15.174  16.044  -5.461
  125    HB2  SER  15           2HB      SER  15 -13.530  15.599  -7.156
  126    HB3  SER  15           3HB      SER  15 -12.642  14.513  -6.088
  127    HG   SER  15           HG       SER  15 -14.249  13.661  -7.766
  128    H    SER  16           H        SER  16 -12.934  14.806  -3.126
  129    HA   SER  16           HA       SER  16 -14.278  12.365  -2.563
  130    HB2  SER  16           2HB      SER  16 -12.639  12.020  -1.012
  131    HB3  SER  16           3HB      SER  16 -11.854  13.331  -1.892
  132    HG   SER  16           HG       SER  16 -11.908  14.394  -0.093
  133    H    GLU  17           H        GLU  17 -14.597  15.655  -1.411
  134    HA   GLU  17           HA       GLU  17 -16.478  14.875   0.667
  135    HB2  GLU  17           2HB      GLU  17 -15.575  17.632  -0.182
  136    HB3  GLU  17           3HB      GLU  17 -16.510  17.245   1.256
  137    HG2  GLU  17           2HG      GLU  17 -14.663  16.044   2.204
  138    HG3  GLU  17           3HG      GLU  17 -13.729  16.230   0.721
  Start of MODEL    4
    1    H1   ARG   1           H        ARG   1   1.984   0.135   1.193
    2    HA   ARG   1           HA       ARG   1   3.719   0.667  -0.388
    3    HB2  ARG   1           2HB      ARG   1   1.087  -0.150  -1.565
    4    HB3  ARG   1           3HB      ARG   1   2.467   0.128  -2.618
    5    HG2  ARG   1           2HG      ARG   1   3.629  -1.485  -0.844
    6    HG3  ARG   1           3HG      ARG   1   1.963  -2.044  -0.679
    7    HD2  ARG   1           2HD      ARG   1   1.837  -2.693  -2.923
    8    HD3  ARG   1           3HD      ARG   1   3.240  -1.724  -3.373
    9    HE   ARG   1           HE       ARG   1   4.009  -3.700  -1.519
   10   HH11  ARG   1          1HH1      ARG   1   3.004  -3.341  -4.832
   11   HH12  ARG   1          2HH1      ARG   1   3.865  -4.740  -5.382
   12   HH21  ARG   1          1HH2      ARG   1   5.147  -5.545  -2.230
   13   HH22  ARG   1          2HH2      ARG   1   5.083  -5.993  -3.901
   14    H    SER   2           H        SER   2   3.860   1.645  -2.770
   15    HA   SER   2           HA       SER   2   3.340   4.482  -2.419
   16    HB2  SER   2           2HB      SER   2   5.554   3.431  -3.246
   17    HB3  SER   2           3HB      SER   2   4.727   3.255  -4.794
   18    HG   SER   2           HG       SER   2   5.856   5.439  -3.735
   19    H    LYS   3           H        LYS   3   2.219   1.806  -4.333
   20    HA   LYS   3           HA       LYS   3   0.823   3.464  -6.243
   21    HB2  LYS   3           2HB      LYS   3   0.682   0.482  -5.754
   22    HB3  LYS   3           3HB      LYS   3  -0.047   1.327  -7.114
   23    HG2  LYS   3           2HG      LYS   3   1.847   1.248  -8.258
   24    HG3  LYS   3           3HG      LYS   3   2.747   1.969  -6.922
   25    HD2  LYS   3           2HD      LYS   3   3.399  -0.059  -6.088
   26    HD3  LYS   3           3HD      LYS   3   1.969  -0.893  -6.700
   27    HE2  LYS   3           2HE      LYS   3   3.734   0.199  -8.774
   28    HE3  LYS   3           3HE      LYS   3   4.462  -1.064  -7.784
   29    HZ1  LYS   3           3HZ      LYS   3   3.416  -2.485  -9.113
   30    HZ2  LYS   3           1HZ      LYS   3   2.458  -1.277  -9.809
   31    HZ3  LYS   3           2HZ      LYS   3   1.973  -2.016  -8.367
   32    H    ASP   4           H        ASP   4   0.135   1.843  -3.244
   33    HA   ASP   4           HA       ASP   4  -2.726   2.021  -3.507
   34    HB2  ASP   4           2HB      ASP   4  -0.858   0.778  -1.711
   35    HB3  ASP   4           3HB      ASP   4  -2.032   1.709  -0.785
   36    H    LEU   5           H        LEU   5  -0.169   4.013  -2.269
   37    HA   LEU   5           HA       LEU   5  -1.835   5.701  -0.667
   38    HB2  LEU   5           2HB      LEU   5   0.770   5.281  -0.649
   39    HB3  LEU   5           3HB      LEU   5   0.766   6.642  -1.769
   40    HG   LEU   5           HG       LEU   5  -0.637   6.915   0.851
   41   HD11  LEU   5          1HD1      LEU   5   1.327   6.172   1.778
   42   HD12  LEU   5          2HD1      LEU   5   1.669   7.892   1.600
   43   HD13  LEU   5          3HD1      LEU   5   2.308   6.741   0.428
   44   HD21  LEU   5          3HD2      LEU   5  -0.156   8.571  -1.318
   45   HD22  LEU   5          1HD2      LEU   5   1.016   9.092  -0.107
   46   HD23  LEU   5          2HD2      LEU   5  -0.703   9.067   0.285
   47    H    ARG   6           H        ARG   6  -0.875   5.599  -4.003
   48    HA   ARG   6           HA       ARG   6  -1.288   8.240  -4.772
   49    HB2  ARG   6           2HB      ARG   6  -1.527   5.612  -6.190
   50    HB3  ARG   6           3HB      ARG   6  -2.026   7.089  -7.005
   51    HG2  ARG   6           2HG      ARG   6   0.376   7.878  -6.156
   52    HG3  ARG   6           3HG      ARG   6   0.674   6.142  -6.275
   53    HD2  ARG   6           2HD      ARG   6   0.655   6.183  -8.513
   54    HD3  ARG   6           3HD      ARG   6  -0.762   7.231  -8.568
   55    HE   ARG   6           HE       ARG   6   1.252   8.889  -7.801
   56   HH11  ARG   6          1HH1      ARG   6   0.780   6.703 -10.469
   57   HH12  ARG   6          2HH1      ARG   6   1.753   7.625 -11.566
   58   HH21  ARG   6          1HH2      ARG   6   2.535  10.112  -9.236
   59   HH22  ARG   6          2HH2      ARG   6   2.752   9.564 -10.864
   60    H    HIS   7           H        HIS   7  -3.583   5.695  -4.086
   61    HA   HIS   7           HA       HIS   7  -5.843   7.055  -5.205
   62    HB2  HIS   7           2HB      HIS   7  -5.336   4.472  -4.351
   63    HB3  HIS   7           3HB      HIS   7  -6.450   5.088  -3.133
   64    HD1  HIS   7           HD1      HIS   7  -6.785   3.028  -5.765
   65    HD2  HIS   7           HD2      HIS   7  -8.510   6.734  -5.025
   66    HE1  HIS   7           HE1      HIS   7  -8.867   3.093  -7.173
   67    H    ALA   8           H        ALA   8  -4.102   7.264  -2.272
   68    HA   ALA   8           HA       ALA   8  -6.241   8.242  -0.635
   69    HB1  ALA   8           1HB      ALA   8  -4.217   7.130   0.273
   70    HB2  ALA   8           2HB      ALA   8  -3.274   8.544  -0.199
   71    HB3  ALA   8           3HB      ALA   8  -4.549   8.698   1.009
   72    H    PHE   9           H        PHE   9  -4.085   9.620  -2.946
   73    HA   PHE   9           HA       PHE   9  -4.025  12.283  -2.055
   74    HB2  PHE   9           2HB      PHE   9  -3.596  10.925  -4.680
   75    HB3  PHE   9           3HB      PHE   9  -3.770  12.676  -4.661
   76    HD1  PHE   9           HD1      PHE   9  -1.759   9.859  -3.383
   77    HD2  PHE   9           HD2      PHE   9  -2.017  14.072  -3.926
   78    HE1  PHE   9           HE1      PHE   9   0.611  10.080  -2.763
   79    HE2  PHE   9           HE2      PHE   9   0.353  14.301  -3.308
   80    HZ   PHE   9           HZ       PHE   9   1.671  12.303  -2.726
   81    H    ARG  10           H        ARG  10  -6.471  10.435  -3.674
   82    HA   ARG  10           HA       ARG  10  -7.984  12.654  -4.646
   83    HB2  ARG  10           2HB      ARG  10  -8.309   9.724  -4.497
   84    HB3  ARG  10           3HB      ARG  10  -9.805  10.647  -4.482
   85    HG2  ARG  10           2HG      ARG  10  -7.996  11.610  -6.517
   86    HG3  ARG  10           3HG      ARG  10  -8.333   9.887  -6.704
   87    HD2  ARG  10           2HD      ARG  10 -10.815  10.790  -6.207
   88    HD3  ARG  10           3HD      ARG  10 -10.126  12.220  -6.976
   89    HE   ARG  10           HE       ARG  10 -10.889   9.809  -8.258
   90   HH11  ARG  10          1HH1      ARG  10  -8.498  12.338  -8.336
   91   HH12  ARG  10          2HH1      ARG  10  -8.169  12.154 -10.027
   92   HH21  ARG  10          1HH2      ARG  10 -10.464   9.557 -10.485
   93   HH22  ARG  10          2HH2      ARG  10  -9.289  10.573 -11.249
   94    H    SEP  11           H        SEP  11  -7.748  10.940  -1.606
   95    HA   SEP  11           HA       SEP  11 -10.324  11.765  -0.582
   96    HB2  SEP  11           2HB      SEP  11  -9.224   9.816   0.470
   97    HB3  SEP  11           3HB      SEP  11  -7.770  10.714   0.825
   98    H    MET  12           H        MET  12  -7.134  13.169  -0.623
   99    HA   MET  12           HA       MET  12  -7.684  15.333   1.126
  100    HB2  MET  12           2HB      MET  12  -5.399  14.521   0.505
  101    HB3  MET  12           3HB      MET  12  -5.630  15.231  -1.087
  102    HG2  MET  12           2HG      MET  12  -6.162  17.379   0.378
  103    HG3  MET  12           3HG      MET  12  -5.122  16.532   1.521
  104    HE1  MET  12           3HE      MET  12  -5.282  19.163  -0.673
  105    HE2  MET  12           1HE      MET  12  -3.816  19.258  -1.650
  106    HE3  MET  12           2HE      MET  12  -5.161  18.246  -2.175
  107    H    PHE  13           H        PHE  13  -8.327  14.742  -2.224
  108    HA   PHE  13           HA       PHE  13  -8.664  17.446  -3.033
  109    HB2  PHE  13           2HB      PHE  13  -9.172  14.777  -4.183
  110    HB3  PHE  13           3HB      PHE  13 -10.232  16.054  -4.770
  111    HD1  PHE  13           HD2      PHE  13  -6.604  15.497  -4.089
  112    HD2  PHE  13           HD1      PHE  13  -9.560  17.203  -6.633
  113    HE1  PHE  13           HE2      PHE  13  -4.840  16.244  -5.632
  114    HE2  PHE  13           HE1      PHE  13  -7.800  17.952  -8.181
  115    HZ   PHE  13           HZ       PHE  13  -5.437  17.474  -7.681
  116    HA   PRO  14           HA       PRO  14 -12.708  18.413  -1.621
  117    HB2  PRO  14           2HB      PRO  14 -13.729  19.838  -3.688
  118    HB3  PRO  14           3HB      PRO  14 -12.443  20.455  -2.645
  119    HG2  PRO  14           2HG      PRO  14 -12.260  19.259  -5.375
  120    HG3  PRO  14           3HG      PRO  14 -11.369  20.629  -4.687
  121    HD2  PRO  14           2HD      PRO  14 -10.356  18.121  -4.954
  122    HD3  PRO  14           3HD      PRO  14  -9.801  19.277  -3.726
  123    H    SER  15           H        SER  15 -12.344  16.552  -4.496
  124    HA   SER  15           HA       SER  15 -15.095  16.110  -5.061
  125    HB2  SER  15           2HB      SER  15 -12.813  14.254  -5.754
  126    HB3  SER  15           3HB      SER  15 -14.351  14.436  -6.598
  127    HG   SER  15           HG       SER  15 -13.416  15.914  -7.741
  128    H    SER  16           H        SER  16 -12.837  14.729  -2.826
  129    HA   SER  16           HA       SER  16 -14.218  12.291  -2.344
  130    HB2  SER  16           2HB      SER  16 -12.500  11.835  -0.943
  131    HB3  SER  16           3HB      SER  16 -11.770  13.287  -1.627
  132    HG   SER  16           HG       SER  16 -13.194  13.006   0.798
  133    H    GLU  17           H        GLU  17 -14.582  15.544  -1.196
  134    HA   GLU  17           HA       GLU  17 -16.282  14.776   1.024
  135    HB2  GLU  17           2HB      GLU  17 -14.654  16.834   0.829
  136    HB3  GLU  17           3HB      GLU  17 -16.034  17.592   0.046
  137    HG2  GLU  17           2HG      GLU  17 -15.893  16.493   2.840
  138    HG3  GLU  17           3HG      GLU  17 -16.070  18.178   2.352
  Start of MODEL    5
    1    H1   ARG   1           H        ARG   1   2.934   0.419   1.121
    2    HA   ARG   1           HA       ARG   1   4.226   0.403  -0.776
    3    HB2  ARG   1           2HB      ARG   1   1.609  -0.388  -2.035
    4    HB3  ARG   1           3HB      ARG   1   3.032  -0.042  -3.008
    5    HG2  ARG   1           2HG      ARG   1   4.132  -1.781  -1.335
    6    HG3  ARG   1           3HG      ARG   1   2.460  -2.336  -1.225
    7    HD2  ARG   1           2HD      ARG   1   2.849  -1.962  -3.934
    8    HD3  ARG   1           3HD      ARG   1   4.387  -2.625  -3.383
    9    HE   ARG   1           HE       ARG   1   1.929  -4.024  -3.644
   10   HH11  ARG   1          1HH1      ARG   1   4.803  -3.813  -1.690
   11   HH12  ARG   1          2HH1      ARG   1   4.733  -5.467  -1.177
   12   HH21  ARG   1          1HH2      ARG   1   1.826  -6.202  -2.976
   13   HH22  ARG   1          2HH2      ARG   1   3.040  -6.825  -1.910
   14    H    SER   2           H        SER   2   4.225   1.643  -3.031
   15    HA   SER   2           HA       SER   2   3.592   4.383  -2.356
   16    HB2  SER   2           2HB      SER   2   5.396   3.009  -4.194
   17    HB3  SER   2           3HB      SER   2   4.598   4.392  -4.942
   18    HG   SER   2           HG       SER   2   6.599   4.363  -3.154
   19    H    LYS   3           H        LYS   3   2.441   1.903  -4.531
   20    HA   LYS   3           HA       LYS   3   0.830   3.646  -6.130
   21    HB2  LYS   3           2HB      LYS   3   1.276   0.727  -5.902
   22    HB3  LYS   3           3HB      LYS   3  -0.290   1.221  -6.533
   23    HG2  LYS   3           2HG      LYS   3   1.730   2.751  -7.827
   24    HG3  LYS   3           3HG      LYS   3   2.177   1.045  -7.894
   25    HD2  LYS   3           2HD      LYS   3   0.843   1.620  -9.831
   26    HD3  LYS   3           3HD      LYS   3  -0.064   0.523  -8.787
   27    HE2  LYS   3           2HE      LYS   3  -0.570   3.242  -8.025
   28    HE3  LYS   3           3HE      LYS   3  -0.857   3.043  -9.753
   29    HZ1  LYS   3           3HZ      LYS   3  -1.951   1.043  -7.907
   30    HZ2  LYS   3           1HZ      LYS   3  -2.548   1.573  -9.399
   31    HZ3  LYS   3           2HZ      LYS   3  -2.726   2.542  -8.025
   32    H    ASP   4           H        ASP   4   0.397   1.890  -3.159
   33    HA   ASP   4           HA       ASP   4  -2.462   2.035  -3.132
   34    HB2  ASP   4           2HB      ASP   4  -0.408   0.854  -1.523
   35    HB3  ASP   4           3HB      ASP   4  -1.473   1.795  -0.483
   36    H    LEU   5           H        LEU   5   0.159   4.049  -1.981
   37    HA   LEU   5           HA       LEU   5  -1.491   5.750  -0.375
   38    HB2  LEU   5           2HB      LEU   5   1.200   5.318  -0.600
   39    HB3  LEU   5           3HB      LEU   5   1.011   6.884  -1.387
   40    HG   LEU   5           HG       LEU   5  -0.215   7.606   0.737
   41   HD11  LEU   5          1HD1      LEU   5  -0.020   6.371   2.681
   42   HD12  LEU   5          2HD1      LEU   5   1.301   5.389   2.050
   43   HD13  LEU   5          3HD1      LEU   5  -0.345   5.127   1.475
   44   HD21  LEU   5          3HD2      LEU   5   2.263   8.000  -0.035
   45   HD22  LEU   5          1HD2      LEU   5   2.630   6.958   1.339
   46   HD23  LEU   5          2HD2      LEU   5   1.738   8.459   1.585
   47    H    ARG   6           H        ARG   6  -0.538   5.642  -3.713
   48    HA   ARG   6           HA       ARG   6  -0.933   8.286  -4.481
   49    HB2  ARG   6           2HB      ARG   6  -0.439   5.853  -5.767
   50    HB3  ARG   6           3HB      ARG   6  -1.942   6.435  -6.469
   51    HG2  ARG   6           2HG      ARG   6  -0.630   8.682  -6.693
   52    HG3  ARG   6           3HG      ARG   6   0.783   7.632  -6.565
   53    HD2  ARG   6           2HD      ARG   6   0.078   6.357  -8.474
   54    HD3  ARG   6           3HD      ARG   6  -1.456   7.223  -8.540
   55    HE   ARG   6           HE       ARG   6   0.365   9.197  -8.810
   56   HH11  ARG   6          1HH1      ARG   6  -0.104   6.153 -10.432
   57   HH12  ARG   6          2HH1      ARG   6   0.553   6.705 -11.937
   58   HH21  ARG   6          1HH2      ARG   6   1.233   9.936 -10.786
   59   HH22  ARG   6          2HH2      ARG   6   1.314   8.856 -12.137
   60    H    HIS   7           H        HIS   7  -3.245   5.757  -3.792
   61    HA   HIS   7           HA       HIS   7  -5.497   7.134  -4.907
   62    HB2  HIS   7           2HB      HIS   7  -5.102   4.564  -4.294
   63    HB3  HIS   7           3HB      HIS   7  -5.880   5.070  -2.797
   64    HD1  HIS   7           HD1      HIS   7  -8.093   6.849  -3.714
   65    HD2  HIS   7           HD2      HIS   7  -7.041   3.386  -5.755
   66    HE1  HIS   7           HE1      HIS   7 -10.132   6.201  -5.035
   67    H    ALA   8           H        ALA   8  -3.749   7.329  -1.976
   68    HA   ALA   8           HA       ALA   8  -5.878   8.323  -0.336
   69    HB1  ALA   8           1HB      ALA   8  -4.407   8.148   1.337
   70    HB2  ALA   8           2HB      ALA   8  -3.366   7.347   0.159
   71    HB3  ALA   8           3HB      ALA   8  -3.177   9.072   0.473
   72    H    PHE   9           H        PHE   9  -3.716   9.686  -2.650
   73    HA   PHE   9           HA       PHE   9  -3.693  12.359  -1.740
   74    HB2  PHE   9           2HB      PHE   9  -2.721  10.897  -4.006
   75    HB3  PHE   9           3HB      PHE   9  -3.529  12.356  -4.569
   76    HD1  PHE   9           HD2      PHE   9  -2.855  14.563  -3.389
   77    HD2  PHE   9           HD1      PHE   9  -0.529  11.000  -3.296
   78    HE1  PHE   9           HE2      PHE   9  -0.859  15.885  -2.825
   79    HE2  PHE   9           HE1      PHE   9   1.471  12.316  -2.731
   80    HZ   PHE   9           HZ       PHE   9   1.309  14.762  -2.497
   81    H    ARG  10           H        ARG  10  -6.033  10.475  -3.464
   82    HA   ARG  10           HA       ARG  10  -7.513  12.686  -4.520
   83    HB2  ARG  10           2HB      ARG  10  -8.014   9.740  -4.249
   84    HB3  ARG  10           3HB      ARG  10  -9.323  10.819  -4.715
   85    HG2  ARG  10           2HG      ARG  10  -7.140  11.493  -6.344
   86    HG3  ARG  10           3HG      ARG  10  -7.215   9.730  -6.312
   87    HD2  ARG  10           2HD      ARG  10  -9.698   9.979  -6.791
   88    HD3  ARG  10           3HD      ARG  10  -9.355  11.672  -7.143
   89    HE   ARG  10           HE       ARG  10  -7.586  10.145  -8.644
   90   HH11  ARG  10          1HH1      ARG  10 -11.021  10.662  -8.407
   91   HH12  ARG  10          2HH1      ARG  10 -11.320  10.320 -10.078
   92   HH21  ARG  10          1HH2      ARG  10  -7.967   9.692 -10.847
   93   HH22  ARG  10          2HH2      ARG  10  -9.582   9.768 -11.466
   94    H    SEP  11           H        SEP  11  -7.431  10.934  -1.493
   95    HA   SEP  11           HA       SEP  11 -10.064  11.589  -0.584
   96    HB2  SEP  11           2HB      SEP  11  -8.296   9.875   0.446
   97    HB3  SEP  11           3HB      SEP  11  -7.652  11.239   1.324
   98    H    MET  12           H        MET  12  -7.044  13.333  -0.557
   99    HA   MET  12           HA       MET  12  -7.956  15.507   1.041
  100    HB2  MET  12           2HB      MET  12  -5.517  14.709   0.296
  101    HB3  MET  12           3HB      MET  12  -5.784  15.923  -0.947
  102    HG2  MET  12           2HG      MET  12  -5.691  17.648   0.515
  103    HG3  MET  12           3HG      MET  12  -6.373  16.708   1.840
  104    HE1  MET  12           3HE      MET  12  -3.261  16.229  -0.547
  105    HE2  MET  12           1HE      MET  12  -3.171  17.900   0.008
  106    HE3  MET  12           2HE      MET  12  -1.957  16.732   0.529
  107    H    PHE  13           H        PHE  13  -8.211  14.684  -2.312
  108    HA   PHE  13           HA       PHE  13  -8.724  17.295  -3.311
  109    HB2  PHE  13           2HB      PHE  13  -8.738  14.563  -4.342
  110    HB3  PHE  13           3HB      PHE  13 -10.012  15.558  -5.039
  111    HD1  PHE  13           HD2      PHE  13  -6.512  16.332  -4.013
  112    HD2  PHE  13           HD1      PHE  13  -9.381  16.191  -7.155
  113    HE1  PHE  13           HE2      PHE  13  -4.877  17.343  -5.548
  114    HE2  PHE  13           HE1      PHE  13  -7.750  17.201  -8.694
  115    HZ   PHE  13           HZ       PHE  13  -5.495  17.780  -7.891
  116    HA   PRO  14           HA       PRO  14 -12.960  17.920  -2.336
  117    HB2  PRO  14           2HB      PRO  14 -13.901  19.129  -4.576
  118    HB3  PRO  14           3HB      PRO  14 -12.801  19.926  -3.445
  119    HG2  PRO  14           2HG      PRO  14 -12.221  18.659  -6.080
  120    HG3  PRO  14           3HG      PRO  14 -11.514  20.112  -5.350
  121    HD2  PRO  14           2HD      PRO  14 -10.278  17.697  -5.416
  122    HD3  PRO  14           3HD      PRO  14  -9.957  18.965  -4.215
  123    H    SER  15           H        SER  15 -12.144  15.971  -5.056
  124    HA   SER  15           HA       SER  15 -14.773  15.228  -5.843
  125    HB2  SER  15           2HB      SER  15 -12.643  13.246  -6.300
  126    HB3  SER  15           3HB      SER  15 -13.735  14.016  -7.451
  127    HG   SER  15           HG       SER  15 -11.963  15.037  -7.989
  128    H    SER  16           H        SER  16 -12.616  14.186  -3.339
  129    HA   SER  16           HA       SER  16 -13.883  11.667  -2.849
  130    HB2  SER  16           2HB      SER  16 -11.522  12.177  -2.211
  131    HB3  SER  16           3HB      SER  16 -12.132  13.283  -0.981
  132    HG   SER  16           HG       SER  16 -11.973  11.473   0.147
  133    H    GLU  17           H        GLU  17 -14.312  14.944  -1.719
  134    HA   GLU  17           HA       GLU  17 -16.167  14.134   0.366
  135    HB2  GLU  17           2HB      GLU  17 -14.515  16.067   0.569
  136    HB3  GLU  17           3HB      GLU  17 -15.569  16.951  -0.525
  137    HG2  GLU  17           2HG      GLU  17 -17.365  16.138   1.305
  138    HG3  GLU  17           3HG      GLU  17 -15.925  16.268   2.313
  Start of MODEL    6
    1    H1   ARG   1           H        ARG   1   4.058   1.810   0.587
    2    HA   ARG   1           HA       ARG   1   4.451   0.603  -1.973
    3    HB2  ARG   1           2HB      ARG   1   1.623   0.564  -0.918
    4    HB3  ARG   1           3HB      ARG   1   2.203  -0.071  -2.452
    5    HG2  ARG   1           2HG      ARG   1   3.624  -1.668  -1.070
    6    HG3  ARG   1           3HG      ARG   1   2.634  -1.170   0.304
    7    HD2  ARG   1           2HD      ARG   1   0.698  -2.088  -0.600
    8    HD3  ARG   1           3HD      ARG   1   1.356  -2.107  -2.235
    9    HE   ARG   1           HE       ARG   1   1.582  -4.162  -0.283
   10   HH11  ARG   1          1HH1      ARG   1   3.266  -2.633  -2.918
   11   HH12  ARG   1          2HH1      ARG   1   4.204  -4.037  -3.305
   12   HH21  ARG   1          1HH2      ARG   1   2.811  -6.018  -0.783
   13   HH22  ARG   1          2HH2      ARG   1   3.944  -5.962  -2.091
   14    H    SER   2           H        SER   2   4.563   2.245  -3.343
   15    HA   SER   2           HA       SER   2   3.424   4.815  -2.611
   16    HB2  SER   2           2HB      SER   2   5.027   5.740  -3.925
   17    HB3  SER   2           3HB      SER   2   5.775   4.148  -3.808
   18    HG   SER   2           HG       SER   2   5.669   4.485  -5.942
   19    H    LYS   3           H        LYS   3   2.864   2.221  -4.853
   20    HA   LYS   3           HA       LYS   3   1.178   3.669  -6.641
   21    HB2  LYS   3           2HB      LYS   3   2.399   1.486  -7.115
   22    HB3  LYS   3           3HB      LYS   3   1.143   0.688  -6.177
   23    HG2  LYS   3           2HG      LYS   3  -0.448   1.975  -7.828
   24    HG3  LYS   3           3HG      LYS   3   0.990   1.974  -8.852
   25    HD2  LYS   3           2HD      LYS   3   0.320  -0.058  -9.507
   26    HD3  LYS   3           3HD      LYS   3   0.896  -0.614  -7.933
   27    HE2  LYS   3           2HE      LYS   3  -1.211  -0.787  -7.072
   28    HE3  LYS   3           3HE      LYS   3  -1.849   0.508  -8.084
   29    HZ1  LYS   3           3HZ      LYS   3  -2.225  -2.152  -8.484
   30    HZ2  LYS   3           1HZ      LYS   3  -1.006  -1.777  -9.596
   31    HZ3  LYS   3           2HZ      LYS   3  -2.475  -0.939  -9.636
   32    H    ASP   4           H        ASP   4   0.705   2.017  -3.620
   33    HA   ASP   4           HA       ASP   4  -2.175   1.941  -3.868
   34    HB2  ASP   4           2HB      ASP   4  -0.280   0.594  -2.302
   35    HB3  ASP   4           3HB      ASP   4  -1.202   1.576  -1.167
   36    H    LEU   5           H        LEU   5   0.259   4.008  -2.474
   37    HA   LEU   5           HA       LEU   5  -1.536   5.505  -0.823
   38    HB2  LEU   5           2HB      LEU   5   1.250   5.330  -1.209
   39    HB3  LEU   5           3HB      LEU   5   0.797   7.000  -1.542
   40    HG   LEU   5           HG       LEU   5  -0.504   6.313   0.849
   41   HD11  LEU   5          1HD1      LEU   5   1.766   5.836   2.113
   42   HD12  LEU   5          2HD1      LEU   5   2.173   5.054   0.586
   43   HD13  LEU   5          3HD1      LEU   5   0.756   4.529   1.495
   44   HD21  LEU   5          3HD2      LEU   5   0.934   8.019   1.797
   45   HD22  LEU   5          1HD2      LEU   5   0.388   8.509   0.193
   46   HD23  LEU   5          2HD2      LEU   5   2.027   7.897   0.417
   47    H    ARG   6           H        ARG   6  -0.488   5.658  -4.130
   48    HA   ARG   6           HA       ARG   6  -1.025   8.315  -4.752
   49    HB2  ARG   6           2HB      ARG   6  -1.044   5.767  -6.316
   50    HB3  ARG   6           3HB      ARG   6  -1.667   7.231  -7.066
   51    HG2  ARG   6           2HG      ARG   6   0.673   8.147  -6.088
   52    HG3  ARG   6           3HG      ARG   6   1.092   6.464  -6.415
   53    HD2  ARG   6           2HD      ARG   6   1.585   7.801  -8.359
   54    HD3  ARG   6           3HD      ARG   6   0.227   6.734  -8.713
   55    HE   ARG   6           HE       ARG   6  -0.929   9.064  -7.884
   56   HH11  ARG   6          1HH1      ARG   6   1.351   8.190 -10.364
   57   HH12  ARG   6          2HH1      ARG   6   0.864   9.456 -11.442
   58   HH21  ARG   6          1HH2      ARG   6  -1.580  10.735  -9.293
   59   HH22  ARG   6          2HH2      ARG   6  -0.803  10.904 -10.831
   60    H    HIS   7           H        HIS   7  -3.194   5.615  -4.285
   61    HA   HIS   7           HA       HIS   7  -5.496   6.920  -5.385
   62    HB2  HIS   7           2HB      HIS   7  -4.923   4.334  -4.833
   63    HB3  HIS   7           3HB      HIS   7  -5.891   4.743  -3.420
   64    HD1  HIS   7           HD1      HIS   7  -8.264   4.184  -3.747
   65    HD2  HIS   7           HD2      HIS   7  -6.451   5.309  -7.313
   66    HE1  HIS   7           HE1      HIS   7 -10.061   4.012  -5.499
   67    H    ALA   8           H        ALA   8  -3.843   7.041  -2.396
   68    HA   ALA   8           HA       ALA   8  -6.073   7.804  -0.766
   69    HB1  ALA   8           1HB      ALA   8  -3.449   8.666   0.172
   70    HB2  ALA   8           2HB      ALA   8  -4.639   7.611   0.937
   71    HB3  ALA   8           3HB      ALA   8  -3.516   6.956  -0.255
   72    H    PHE   9           H        PHE   9  -3.937   9.432  -2.928
   73    HA   PHE   9           HA       PHE   9  -4.070  12.038  -1.871
   74    HB2  PHE   9           2HB      PHE   9  -3.025  10.771  -4.215
   75    HB3  PHE   9           3HB      PHE   9  -3.926  12.204  -4.701
   76    HD1  PHE   9           HD2      PHE   9  -3.280  14.423  -3.823
   77    HD2  PHE   9           HD1      PHE   9  -0.949  10.938  -3.088
   78    HE1  PHE   9           HE2      PHE   9  -1.368  15.838  -3.195
   79    HE2  PHE   9           HE1      PHE   9   0.966  12.348  -2.457
   80    HZ   PHE   9           HZ       PHE   9   0.758  14.802  -2.511
   81    H    ARG  10           H        ARG  10  -6.319  10.146  -3.703
   82    HA   ARG  10           HA       ARG  10  -7.902  12.251  -4.736
   83    HB2  ARG  10           2HB      ARG  10  -8.005   9.366  -4.627
   84    HB3  ARG  10           3HB      ARG  10  -9.591  10.052  -4.304
   85    HG2  ARG  10           2HG      ARG  10  -9.492   9.690  -6.626
   86    HG3  ARG  10           3HG      ARG  10  -9.287  11.428  -6.396
   87    HD2  ARG  10           2HD      ARG  10  -6.718  10.244  -6.299
   88    HD3  ARG  10           3HD      ARG  10  -7.556   9.575  -7.699
   89    HE   ARG  10           HE       ARG  10  -7.954  12.326  -7.731
   90   HH11  ARG  10          1HH1      ARG  10  -5.314  10.072  -7.990
   91   HH12  ARG  10          2HH1      ARG  10  -4.358  11.107  -8.998
   92   HH21  ARG  10          1HH2      ARG  10  -6.706  13.698  -9.058
   93   HH22  ARG  10          2HH2      ARG  10  -5.150  13.170  -9.604
   94    H    SEP  11           H        SEP  11  -7.689  10.711  -1.600
   95    HA   SEP  11           HA       SEP  11 -10.302  11.542  -0.676
   96    HB2  SEP  11           2HB      SEP  11  -9.199   9.663   0.495
   97    HB3  SEP  11           3HB      SEP  11  -7.767  10.600   0.838
   98    H    MET  12           H        MET  12  -7.132  12.989  -0.719
   99    HA   MET  12           HA       MET  12  -7.741  15.225   0.912
  100    HB2  MET  12           2HB      MET  12  -5.435  14.356   0.264
  101    HB3  MET  12           3HB      MET  12  -5.671  15.166  -1.279
  102    HG2  MET  12           2HG      MET  12  -6.274  17.058   0.703
  103    HG3  MET  12           3HG      MET  12  -4.800  16.242   1.220
  104    HE1  MET  12           3HE      MET  12  -5.389  19.058   0.708
  105    HE2  MET  12           1HE      MET  12  -3.867  19.615   0.011
  106    HE3  MET  12           2HE      MET  12  -5.347  19.669  -0.946
  107    H    PHE  13           H        PHE  13  -8.330  14.467  -2.415
  108    HA   PHE  13           HA       PHE  13  -8.699  17.124  -3.354
  109    HB2  PHE  13           2HB      PHE  13  -9.084  14.405  -4.389
  110    HB3  PHE  13           3HB      PHE  13 -10.245  15.573  -5.012
  111    HD1  PHE  13           HD2      PHE  13  -6.605  15.733  -4.199
  112    HD2  PHE  13           HD1      PHE  13  -9.660  16.263  -7.115
  113    HE1  PHE  13           HE2      PHE  13  -4.925  16.537  -5.808
  114    HE2  PHE  13           HE1      PHE  13  -7.985  17.067  -8.729
  115    HZ   PHE  13           HZ       PHE  13  -5.615  17.205  -8.075
  116    HA   PRO  14           HA       PRO  14 -12.775  18.091  -2.040
  117    HB2  PRO  14           2HB      PRO  14 -13.791  19.401  -4.184
  118    HB3  PRO  14           3HB      PRO  14 -12.529  20.087  -3.156
  119    HG2  PRO  14           2HG      PRO  14 -12.293  18.773  -5.825
  120    HG3  PRO  14           3HG      PRO  14 -11.425  20.181  -5.186
  121    HD2  PRO  14           2HD      PRO  14 -10.375  17.681  -5.325
  122    HD3  PRO  14           3HD      PRO  14  -9.855  18.902  -4.147
  123    H    SER  15           H        SER  15 -12.344  16.101  -4.816
  124    HA   SER  15           HA       SER  15 -15.079  15.589  -5.397
  125    HB2  SER  15           2HB      SER  15 -13.352  13.370  -6.077
  126    HB3  SER  15           3HB      SER  15 -14.205  14.486  -7.144
  127    HG   SER  15           HG       SER  15 -11.602  14.379  -6.609
  128    H    SER  16           H        SER  16 -12.834  14.354  -3.065
  129    HA   SER  16           HA       SER  16 -14.184  11.921  -2.485
  130    HB2  SER  16           2HB      SER  16 -12.635  11.636  -0.771
  131    HB3  SER  16           3HB      SER  16 -11.756  12.688  -1.881
  132    HG   SER  16           HG       SER  16 -12.470  14.463  -0.575
  133    H    GLU  17           H        GLU  17 -14.534  15.220  -1.405
  134    HA   GLU  17           HA       GLU  17 -16.350  14.483   0.740
  135    HB2  GLU  17           2HB      GLU  17 -14.889  16.894  -0.075
  136    HB3  GLU  17           3HB      GLU  17 -16.516  17.213   0.511
  137    HG2  GLU  17           2HG      GLU  17 -14.716  15.439   2.088
  138    HG3  GLU  17           3HG      GLU  17 -14.494  17.186   2.153
  Start of MODEL    7
    1    H1   ARG   1           H        ARG   1   1.299   0.806   0.476
    2    HA   ARG   1           HA       ARG   1   3.754  -0.043  -0.505
    3    HB2  ARG   1           2HB      ARG   1   1.636  -0.299  -2.636
    4    HB3  ARG   1           3HB      ARG   1   3.339  -0.721  -2.749
    5    HG2  ARG   1           2HG      ARG   1   2.882  -2.465  -0.970
    6    HG3  ARG   1           3HG      ARG   1   1.168  -2.150  -1.249
    7    HD2  ARG   1           2HD      ARG   1   1.592  -2.628  -3.684
    8    HD3  ARG   1           3HD      ARG   1   3.200  -3.179  -3.219
    9    HE   ARG   1           HE       ARG   1   0.723  -4.581  -2.867
   10   HH11  ARG   1          1HH1      ARG   1   3.967  -4.184  -1.667
   11   HH12  ARG   1          2HH1      ARG   1   4.043  -5.768  -0.971
   12   HH21  ARG   1          1HH2      ARG   1   0.811  -6.669  -1.954
   13   HH22  ARG   1          2HH2      ARG   1   2.247  -7.182  -1.136
   14    H    SER   2           H        SER   2   4.184   1.227  -2.764
   15    HA   SER   2           HA       SER   2   3.740   3.988  -2.076
   16    HB2  SER   2           2HB      SER   2   5.333   4.511  -3.748
   17    HB3  SER   2           3HB      SER   2   5.894   2.994  -3.044
   18    HG   SER   2           HG       SER   2   5.263   1.915  -4.824
   19    H    LYS   3           H        LYS   3   2.485   1.694  -4.377
   20    HA   LYS   3           HA       LYS   3   1.188   3.668  -6.021
   21    HB2  LYS   3           2HB      LYS   3   1.978   1.276  -6.669
   22    HB3  LYS   3           3HB      LYS   3   0.450   0.758  -5.971
   23    HG2  LYS   3           2HG      LYS   3  -0.737   1.492  -7.718
   24    HG3  LYS   3           3HG      LYS   3   0.209   2.975  -7.865
   25    HD2  LYS   3           2HD      LYS   3   1.221   0.275  -8.738
   26    HD3  LYS   3           3HD      LYS   3   0.365   1.383  -9.814
   27    HE2  LYS   3           2HE      LYS   3   2.121   3.112  -9.129
   28    HE3  LYS   3           3HE      LYS   3   3.029   1.750  -8.474
   29    HZ1  LYS   3           3HZ      LYS   3   3.873   1.754 -10.553
   30    HZ2  LYS   3           1HZ      LYS   3   2.507   2.473 -11.246
   31    HZ3  LYS   3           2HZ      LYS   3   2.502   0.820 -10.887
   32    H    ASP   4           H        ASP   4   0.405   1.827  -3.191
   33    HA   ASP   4           HA       ASP   4  -2.430   2.090  -3.375
   34    HB2  ASP   4           2HB      ASP   4  -0.548   0.843  -1.615
   35    HB3  ASP   4           3HB      ASP   4  -1.658   1.819  -0.657
   36    H    LEU   5           H        LEU   5   0.151   4.067  -2.125
   37    HA   LEU   5           HA       LEU   5  -1.524   5.792  -0.572
   38    HB2  LEU   5           2HB      LEU   5   1.072   5.332  -0.491
   39    HB3  LEU   5           3HB      LEU   5   1.116   6.682  -1.623
   40    HG   LEU   5           HG       LEU   5  -0.406   7.746   0.338
   41   HD11  LEU   5          1HD1      LEU   5   0.981   7.127   2.442
   42   HD12  LEU   5          2HD1      LEU   5   1.296   5.625   1.575
   43   HD13  LEU   5          3HD1      LEU   5  -0.362   6.095   1.950
   44   HD21  LEU   5          3HD2      LEU   5   1.265   9.162  -0.099
   45   HD22  LEU   5          1HD2      LEU   5   2.386   7.857  -0.485
   46   HD23  LEU   5          2HD2      LEU   5   2.138   8.338   1.194
   47    H    ARG   6           H        ARG   6  -0.491   5.653  -3.885
   48    HA   ARG   6           HA       ARG   6  -0.846   8.295  -4.680
   49    HB2  ARG   6           2HB      ARG   6  -1.273   5.703  -6.163
   50    HB3  ARG   6           3HB      ARG   6  -1.407   7.275  -6.939
   51    HG2  ARG   6           2HG      ARG   6   1.003   7.541  -5.785
   52    HG3  ARG   6           3HG      ARG   6   0.978   5.796  -6.049
   53    HD2  ARG   6           2HD      ARG   6   0.397   6.210  -8.421
   54    HD3  ARG   6           3HD      ARG   6   0.555   7.941  -8.126
   55    HE   ARG   6           HE       ARG   6   2.889   6.415  -7.417
   56   HH11  ARG   6          1HH1      ARG   6   1.220   8.097  -9.968
   57   HH12  ARG   6          2HH1      ARG   6   2.656   8.383 -10.895
   58   HH21  ARG   6          1HH2      ARG   6   4.785   6.786  -8.628
   59   HH22  ARG   6          2HH2      ARG   6   4.683   7.636 -10.133
   60    H    HIS   7           H        HIS   7  -3.195   5.789  -4.030
   61    HA   HIS   7           HA       HIS   7  -5.408   7.177  -5.208
   62    HB2  HIS   7           2HB      HIS   7  -5.015   4.599  -4.495
   63    HB3  HIS   7           3HB      HIS   7  -5.932   5.163  -3.101
   64    HD1  HIS   7           HD1      HIS   7  -6.247   5.182  -6.893
   65    HD2  HIS   7           HD2      HIS   7  -8.611   5.088  -3.478
   66    HE1  HIS   7           HE1      HIS   7  -8.609   4.917  -7.717
   67    H    ALA   8           H        ALA   8  -3.730   7.378  -2.238
   68    HA   ALA   8           HA       ALA   8  -5.889   8.400  -0.656
   69    HB1  ALA   8           1HB      ALA   8  -3.551   7.319   0.013
   70    HB2  ALA   8           2HB      ALA   8  -3.089   9.020   0.083
   71    HB3  ALA   8           3HB      ALA   8  -4.421   8.426   1.075
   72    H    PHE   9           H        PHE   9  -3.662   9.729  -2.926
   73    HA   PHE   9           HA       PHE   9  -3.587  12.398  -2.049
   74    HB2  PHE   9           2HB      PHE   9  -2.140  11.298  -3.835
   75    HB3  PHE   9           3HB      PHE   9  -3.492  11.533  -4.938
   76    HD1  PHE   9           HD2      PHE   9  -4.174  13.784  -5.606
   77    HD2  PHE   9           HD1      PHE   9  -0.779  13.129  -3.124
   78    HE1  PHE   9           HE2      PHE   9  -3.396  16.070  -6.073
   79    HE2  PHE   9           HE1      PHE   9   0.005  15.415  -3.587
   80    HZ   PHE   9           HZ       PHE   9  -1.303  16.889  -5.064
   81    H    ARG  10           H        ARG  10  -6.006  10.573  -3.738
   82    HA   ARG  10           HA       ARG  10  -7.463  12.824  -4.737
   83    HB2  ARG  10           2HB      ARG  10  -7.492  10.144  -5.268
   84    HB3  ARG  10           3HB      ARG  10  -8.951  10.324  -4.305
   85    HG2  ARG  10           2HG      ARG  10  -9.554  12.234  -5.881
   86    HG3  ARG  10           3HG      ARG  10  -8.270  11.616  -6.922
   87    HD2  ARG  10           2HD      ARG  10  -9.923  10.359  -7.790
   88    HD3  ARG  10           3HD      ARG  10  -9.613   9.335  -6.389
   89    HE   ARG  10           HE       ARG  10 -11.447  11.101  -5.473
   90   HH11  ARG  10          1HH1      ARG  10 -11.313   9.009  -8.253
   91   HH12  ARG  10          2HH1      ARG  10 -13.029   8.784  -8.328
   92   HH21  ARG  10          1HH2      ARG  10 -13.707  10.812  -5.563
   93   HH22  ARG  10          2HH2      ARG  10 -14.390   9.811  -6.798
   94    H    SEP  11           H        SEP  11  -7.358  11.031  -1.733
   95    HA   SEP  11           HA       SEP  11  -9.955  11.725  -0.759
   96    HB2  SEP  11           2HB      SEP  11  -8.654   9.924   0.361
   97    HB3  SEP  11           3HB      SEP  11  -7.344  11.008   0.755
   98    H    MET  12           H        MET  12  -6.914  13.428  -0.802
   99    HA   MET  12           HA       MET  12  -7.754  15.601   0.839
  100    HB2  MET  12           2HB      MET  12  -5.453  15.143  -1.033
  101    HB3  MET  12           3HB      MET  12  -5.743  16.740  -0.355
  102    HG2  MET  12           2HG      MET  12  -5.855  15.223   1.877
  103    HG3  MET  12           3HG      MET  12  -4.701  14.306   0.910
  104    HE1  MET  12           3HE      MET  12  -5.563  16.927   3.086
  105    HE2  MET  12           1HE      MET  12  -4.014  16.630   3.876
  106    HE3  MET  12           2HE      MET  12  -4.314  18.174   3.077
  107    H    PHE  13           H        PHE  13  -8.104  14.807  -2.513
  108    HA   PHE  13           HA       PHE  13  -8.604  17.432  -3.480
  109    HB2  PHE  13           2HB      PHE  13  -8.621  14.728  -4.536
  110    HB3  PHE  13           3HB      PHE  13  -9.973  15.670  -5.157
  111    HD1  PHE  13           HD2      PHE  13  -6.500  16.696  -4.297
  112    HD2  PHE  13           HD1      PHE  13  -9.444  16.221  -7.334
  113    HE1  PHE  13           HE2      PHE  13  -4.997  17.776  -5.917
  114    HE2  PHE  13           HE1      PHE  13  -7.945  17.300  -8.960
  115    HZ   PHE  13           HZ       PHE  13  -5.719  18.080  -8.252
  116    HA   PRO  14           HA       PRO  14 -12.804  18.111  -2.395
  117    HB2  PRO  14           2HB      PRO  14 -13.785  19.353  -4.596
  118    HB3  PRO  14           3HB      PRO  14 -12.636  20.123  -3.495
  119    HG2  PRO  14           2HG      PRO  14 -12.153  18.838  -6.147
  120    HG3  PRO  14           3HG      PRO  14 -11.425  20.301  -5.457
  121    HD2  PRO  14           2HD      PRO  14 -10.204  17.872  -5.543
  122    HD3  PRO  14           3HD      PRO  14  -9.834  19.126  -4.342
  123    H    SER  15           H        SER  15 -12.083  16.166  -5.144
  124    HA   SER  15           HA       SER  15 -14.741  15.469  -5.874
  125    HB2  SER  15           2HB      SER  15 -12.054  14.203  -6.398
  126    HB3  SER  15           3HB      SER  15 -13.554  13.480  -6.977
  127    HG   SER  15           HG       SER  15 -12.158  15.513  -8.021
  128    H    SER  16           H        SER  16 -12.545  14.380  -3.425
  129    HA   SER  16           HA       SER  16 -13.873  11.888  -2.916
  130    HB2  SER  16           2HB      SER  16 -11.719  11.721  -2.154
  131    HB3  SER  16           3HB      SER  16 -11.636  13.421  -1.695
  132    HG   SER  16           HG       SER  16 -12.654  12.977   0.186
  133    H    GLU  17           H        GLU  17 -14.089  15.164  -1.702
  134    HA   GLU  17           HA       GLU  17 -15.862  14.419   0.464
  135    HB2  GLU  17           2HB      GLU  17 -14.186  16.297   0.612
  136    HB3  GLU  17           3HB      GLU  17 -15.191  17.194  -0.517
  137    HG2  GLU  17           2HG      GLU  17 -15.784  17.986   1.600
  138    HG3  GLU  17           3HG      GLU  17 -17.082  16.886   1.141
  Start of MODEL    8
    1    H1   ARG   1           H        ARG   1   3.631  -0.764   0.865
    2    HA   ARG   1           HA       ARG   1   3.902  -0.306  -1.757
    3    HB2  ARG   1           2HB      ARG   1   2.072  -1.629  -0.578
    4    HB3  ARG   1           3HB      ARG   1   1.178  -0.118  -0.479
    5    HG2  ARG   1           2HG      ARG   1   0.610  -0.160  -2.649
    6    HG3  ARG   1           3HG      ARG   1   2.176  -0.796  -3.155
    7    HD2  ARG   1           2HD      ARG   1   0.570  -2.679  -1.594
    8    HD3  ARG   1           3HD      ARG   1  -0.172  -2.200  -3.120
    9    HE   ARG   1           HE       ARG   1   2.174  -3.829  -2.763
   10   HH11  ARG   1          1HH1      ARG   1   0.430  -1.739  -4.934
   11   HH12  ARG   1          2HH1      ARG   1   1.140  -2.414  -6.363
   12   HH21  ARG   1          1HH2      ARG   1   3.116  -4.725  -4.637
   13   HH22  ARG   1          2HH2      ARG   1   2.668  -4.113  -6.193
   14    H    SER   2           H        SER   2   4.444   1.546  -2.721
   15    HA   SER   2           HA       SER   2   3.487   4.096  -1.831
   16    HB2  SER   2           2HB      SER   2   5.337   3.112  -3.941
   17    HB3  SER   2           3HB      SER   2   4.605   4.695  -4.196
   18    HG   SER   2           HG       SER   2   5.946   5.456  -2.786
   19    H    LYS   3           H        LYS   3   2.524   1.770  -4.214
   20    HA   LYS   3           HA       LYS   3   0.956   3.513  -5.827
   21    HB2  LYS   3           2HB      LYS   3   1.720   0.798  -5.875
   22    HB3  LYS   3           3HB      LYS   3  -0.038   0.811  -5.849
   23    HG2  LYS   3           2HG      LYS   3   0.325   0.895  -8.093
   24    HG3  LYS   3           3HG      LYS   3   0.280   2.622  -7.732
   25    HD2  LYS   3           2HD      LYS   3   2.466   2.903  -8.201
   26    HD3  LYS   3           3HD      LYS   3   2.925   1.367  -7.462
   27    HE2  LYS   3           2HE      LYS   3   1.560   1.611 -10.138
   28    HE3  LYS   3           3HE      LYS   3   3.307   1.499  -9.932
   29    HZ1  LYS   3           3HZ      LYS   3   1.986  -0.565  -8.501
   30    HZ2  LYS   3           1HZ      LYS   3   3.161  -0.688  -9.711
   31    HZ3  LYS   3           2HZ      LYS   3   1.525  -0.590 -10.128
   32    H    ASP   4           H        ASP   4   0.394   1.766  -2.870
   33    HA   ASP   4           HA       ASP   4  -2.455   1.930  -2.931
   34    HB2  ASP   4           2HB      ASP   4  -0.431   0.850  -1.182
   35    HB3  ASP   4           3HB      ASP   4  -1.628   1.743  -0.248
   36    H    LEU   5           H        LEU   5   0.122   3.991  -1.777
   37    HA   LEU   5           HA       LEU   5  -1.569   5.721  -0.247
   38    HB2  LEU   5           2HB      LEU   5   0.775   5.522   0.294
   39    HB3  LEU   5           3HB      LEU   5   1.226   6.079  -1.317
   40    HG   LEU   5           HG       LEU   5  -0.422   7.950   0.253
   41   HD11  LEU   5          1HD1      LEU   5   2.000   8.605   1.250
   42   HD12  LEU   5          2HD1      LEU   5   2.099   6.845   1.286
   43   HD13  LEU   5          3HD1      LEU   5   0.788   7.671   2.127
   44   HD21  LEU   5          3HD2      LEU   5   2.188   8.392  -1.172
   45   HD22  LEU   5          1HD2      LEU   5   0.930   9.570  -0.797
   46   HD23  LEU   5          2HD2      LEU   5   0.640   8.330  -2.017
   47    H    ARG   6           H        ARG   6  -0.559   5.529  -3.564
   48    HA   ARG   6           HA       ARG   6  -0.962   8.147  -4.411
   49    HB2  ARG   6           2HB      ARG   6  -1.358   5.519  -5.837
   50    HB3  ARG   6           3HB      ARG   6  -1.522   7.072  -6.645
   51    HG2  ARG   6           2HG      ARG   6   0.971   6.617  -5.124
   52    HG3  ARG   6           3HG      ARG   6   0.751   5.687  -6.607
   53    HD2  ARG   6           2HD      ARG   6   0.058   8.509  -6.885
   54    HD3  ARG   6           3HD      ARG   6   1.744   8.241  -6.445
   55    HE   ARG   6           HE       ARG   6   0.925   6.549  -8.586
   56   HH11  ARG   6          1HH1      ARG   6   1.933   9.790  -7.810
   57   HH12  ARG   6          2HH1      ARG   6   2.561  10.113  -9.392
   58   HH21  ARG   6          1HH2      ARG   6   1.749   6.963 -10.673
   59   HH22  ARG   6          2HH2      ARG   6   2.455   8.505 -11.020
   60    H    HIS   7           H        HIS   7  -3.265   5.619  -3.691
   61    HA   HIS   7           HA       HIS   7  -5.509   6.946  -4.881
   62    HB2  HIS   7           2HB      HIS   7  -5.129   4.402  -4.238
   63    HB3  HIS   7           3HB      HIS   7  -5.862   4.916  -2.721
   64    HD1  HIS   7           HD1      HIS   7  -6.635   4.362  -6.333
   65    HD2  HIS   7           HD2      HIS   7  -8.589   5.542  -2.862
   66    HE1  HIS   7           HE1      HIS   7  -9.087   4.291  -6.885
   67    H    ALA   8           H        ALA   8  -3.812   7.237  -1.929
   68    HA   ALA   8           HA       ALA   8  -5.976   8.258  -0.352
   69    HB1  ALA   8           1HB      ALA   8  -3.119   8.848   0.277
   70    HB2  ALA   8           2HB      ALA   8  -4.456   8.470   1.363
   71    HB3  ALA   8           3HB      ALA   8  -3.714   7.192   0.401
   72    H    PHE   9           H        PHE   9  -3.786   9.574  -2.666
   73    HA   PHE   9           HA       PHE   9  -3.792  12.270  -1.832
   74    HB2  PHE   9           2HB      PHE   9  -2.613  10.802  -3.888
   75    HB3  PHE   9           3HB      PHE   9  -3.648  11.958  -4.717
   76    HD1  PHE   9           HD2      PHE   9  -3.503  14.336  -3.110
   77    HD2  PHE   9           HD1      PHE   9  -0.441  11.532  -4.046
   78    HE1  PHE   9           HE2      PHE   9  -1.806  16.087  -2.787
   79    HE2  PHE   9           HE1      PHE   9   1.262  13.278  -3.722
   80    HZ   PHE   9           HZ       PHE   9   0.580  15.560  -3.093
   81    H    ARG  10           H        ARG  10  -6.101  10.328  -3.536
   82    HA   ARG  10           HA       ARG  10  -7.578  12.460  -4.711
   83    HB2  ARG  10           2HB      ARG  10  -7.585   9.732  -4.968
   84    HB3  ARG  10           3HB      ARG  10  -9.072  10.013  -4.072
   85    HG2  ARG  10           2HG      ARG  10  -9.882  11.496  -5.788
   86    HG3  ARG  10           3HG      ARG  10  -8.352  11.374  -6.659
   87    HD2  ARG  10           2HD      ARG  10  -8.770   9.218  -7.362
   88    HD3  ARG  10           3HD      ARG  10  -9.886   8.892  -6.037
   89    HE   ARG  10           HE       ARG  10 -11.025  10.874  -7.623
   90   HH11  ARG  10          1HH1      ARG  10 -10.102   7.528  -7.883
   91   HH12  ARG  10          2HH1      ARG  10 -11.321   7.147  -9.054
   92   HH21  ARG  10          1HH2      ARG  10 -12.634  10.385  -9.165
   93   HH22  ARG  10          2HH2      ARG  10 -12.760   8.773  -9.783
   94    H    SEP  11           H        SEP  11  -7.507  10.957  -1.551
   95    HA   SEP  11           HA       SEP  11 -10.130  11.800  -0.712
   96    HB2  SEP  11           2HB      SEP  11  -8.600   9.985   0.424
   97    HB3  SEP  11           3HB      SEP  11  -7.720  11.291   1.175
   98    H    MET  12           H        MET  12  -6.992  13.315  -0.741
   99    HA   MET  12           HA       MET  12  -7.709  15.606   0.777
  100    HB2  MET  12           2HB      MET  12  -5.386  14.626  -0.619
  101    HB3  MET  12           3HB      MET  12  -5.640  16.326  -0.990
  102    HG2  MET  12           2HG      MET  12  -4.281  16.415   0.864
  103    HG3  MET  12           3HG      MET  12  -5.889  16.609   1.560
  104    HE1  MET  12           3HE      MET  12  -2.871  15.517   2.734
  105    HE2  MET  12           1HE      MET  12  -4.187  16.017   3.796
  106    HE3  MET  12           2HE      MET  12  -3.459  14.422   3.986
  107    H    PHE  13           H        PHE  13  -8.132  14.688  -2.534
  108    HA   PHE  13           HA       PHE  13  -8.500  17.292  -3.611
  109    HB2  PHE  13           2HB      PHE  13  -8.780  14.525  -4.537
  110    HB3  PHE  13           3HB      PHE  13  -9.948  15.628  -5.256
  111    HD1  PHE  13           HD2      PHE  13  -6.381  16.082  -4.277
  112    HD2  PHE  13           HD1      PHE  13  -9.269  16.090  -7.404
  113    HE1  PHE  13           HE2      PHE  13  -4.663  16.862  -5.857
  114    HE2  PHE  13           HE1      PHE  13  -7.556  16.869  -8.989
  115    HZ   PHE  13           HZ       PHE  13  -5.250  17.257  -8.216
  116    HA   PRO  14           HA       PRO  14 -12.647  18.244  -2.528
  117    HB2  PRO  14           2HB      PRO  14 -13.585  19.436  -4.774
  118    HB3  PRO  14           3HB      PRO  14 -12.382  20.191  -3.722
  119    HG2  PRO  14           2HG      PRO  14 -12.002  18.757  -6.313
  120    HG3  PRO  14           3HG      PRO  14 -11.192  20.213  -5.707
  121    HD2  PRO  14           2HD      PRO  14 -10.093  17.728  -5.680
  122    HD3  PRO  14           3HD      PRO  14  -9.647  19.011  -4.537
  123    H    SER  15           H        SER  15 -12.057  16.136  -5.185
  124    HA   SER  15           HA       SER  15 -14.754  15.550  -5.866
  125    HB2  SER  15           2HB      SER  15 -12.169  14.052  -6.318
  126    HB3  SER  15           3HB      SER  15 -13.725  13.488  -6.927
  127    HG   SER  15           HG       SER  15 -12.850  16.107  -7.468
  128    H    SER  16           H        SER  16 -12.600  14.462  -3.379
  129    HA   SER  16           HA       SER  16 -13.977  12.046  -2.747
  130    HB2  SER  16           2HB      SER  16 -12.345  11.736  -1.194
  131    HB3  SER  16           3HB      SER  16 -11.551  13.048  -2.064
  132    HG   SER  16           HG       SER  16 -12.282  14.487  -0.533
  133    H    GLU  17           H        GLU  17 -14.283  15.390  -1.776
  134    HA   GLU  17           HA       GLU  17 -16.114  14.790   0.381
  135    HB2  GLU  17           2HB      GLU  17 -14.530  17.019  -0.407
  136    HB3  GLU  17           3HB      GLU  17 -16.207  17.545  -0.360
  137    HG2  GLU  17           2HG      GLU  17 -16.427  16.877   1.921
  138    HG3  GLU  17           3HG      GLU  17 -14.841  16.108   1.900
  Start of MODEL    9
    1    H1   ARG   1           H        ARG   1   2.087   1.811   1.405
    2    HA   ARG   1           HA       ARG   1   3.903   0.478  -0.299
    3    HB2  ARG   1           2HB      ARG   1   1.221  -0.386  -0.552
    4    HB3  ARG   1           3HB      ARG   1   1.563   0.617  -1.955
    5    HG2  ARG   1           2HG      ARG   1   3.694  -1.276  -1.347
    6    HG3  ARG   1           3HG      ARG   1   2.146  -2.044  -1.708
    7    HD2  ARG   1           2HD      ARG   1   2.007  -0.721  -3.784
    8    HD3  ARG   1           3HD      ARG   1   3.589  -0.030  -3.427
    9    HE   ARG   1           HE       ARG   1   4.557  -1.958  -4.182
   10   HH11  ARG   1          1HH1      ARG   1   1.187  -2.557  -3.545
   11   HH12  ARG   1          2HH1      ARG   1   1.207  -4.150  -4.226
   12   HH21  ARG   1          1HH2      ARG   1   4.596  -4.054  -5.081
   13   HH22  ARG   1          2HH2      ARG   1   3.147  -5.001  -5.098
   14    H    SER   2           H        SER   2   4.143   1.625  -2.413
   15    HA   SER   2           HA       SER   2   3.858   4.476  -1.964
   16    HB2  SER   2           2HB      SER   2   5.867   3.011  -3.047
   17    HB3  SER   2           3HB      SER   2   5.028   3.527  -4.510
   18    HG   SER   2           HG       SER   2   5.122   5.704  -3.412
   19    H    LYS   3           H        LYS   3   2.500   1.982  -3.976
   20    HA   LYS   3           HA       LYS   3   1.177   3.868  -5.737
   21    HB2  LYS   3           2HB      LYS   3   1.491   0.918  -5.606
   22    HB3  LYS   3           3HB      LYS   3   0.035   1.526  -6.382
   23    HG2  LYS   3           2HG      LYS   3   1.655   3.018  -7.730
   24    HG3  LYS   3           3HG      LYS   3   2.890   1.879  -7.191
   25    HD2  LYS   3           2HD      LYS   3   1.779   0.053  -8.243
   26    HD3  LYS   3           3HD      LYS   3   0.346   1.032  -8.564
   27    HE2  LYS   3           2HE      LYS   3   1.438   2.279 -10.225
   28    HE3  LYS   3           3HE      LYS   3   3.034   1.748  -9.695
   29    HZ1  LYS   3           3HZ      LYS   3   2.921  -0.018 -11.013
   30    HZ2  LYS   3           1HZ      LYS   3   1.536   0.656 -11.713
   31    HZ3  LYS   3           2HZ      LYS   3   1.388  -0.453 -10.445
   32    H    ASP   4           H        ASP   4   0.478   2.024  -2.882
   33    HA   ASP   4           HA       ASP   4  -2.366   2.180  -3.064
   34    HB2  ASP   4           2HB      ASP   4  -0.428   1.029  -1.283
   35    HB3  ASP   4           3HB      ASP   4  -1.616   1.935  -0.349
   36    H    LEU   5           H        LEU   5   0.142   4.255  -1.830
   37    HA   LEU   5           HA       LEU   5  -1.588   5.919  -0.271
   38    HB2  LEU   5           2HB      LEU   5   1.237   5.761  -0.905
   39    HB3  LEU   5           3HB      LEU   5   0.653   7.424  -0.910
   40    HG   LEU   5           HG       LEU   5   0.253   5.539   1.405
   41   HD11  LEU   5          1HD1      LEU   5   2.195   7.651   1.799
   42   HD12  LEU   5          2HD1      LEU   5   2.691   6.520   0.540
   43   HD13  LEU   5          3HD1      LEU   5   2.309   5.927   2.157
   44   HD21  LEU   5          3HD2      LEU   5  -0.560   7.336   2.569
   45   HD22  LEU   5          1HD2      LEU   5  -1.137   7.722   0.947
   46   HD23  LEU   5          2HD2      LEU   5   0.308   8.512   1.580
   47    H    ARG   6           H        ARG   6  -0.570   5.811  -3.590
   48    HA   ARG   6           HA       ARG   6  -1.030   8.435  -4.389
   49    HB2  ARG   6           2HB      ARG   6  -0.021   6.609  -5.781
   50    HB3  ARG   6           3HB      ARG   6  -1.639   5.963  -6.015
   51    HG2  ARG   6           2HG      ARG   6  -2.229   8.273  -6.940
   52    HG3  ARG   6           3HG      ARG   6  -0.486   8.536  -7.025
   53    HD2  ARG   6           2HD      ARG   6  -1.246   7.739  -9.157
   54    HD3  ARG   6           3HD      ARG   6  -0.296   6.469  -8.386
   55    HE   ARG   6           HE       ARG   6  -3.090   6.204  -7.860
   56   HH11  ARG   6          1HH1      ARG   6  -0.599   5.592 -10.214
   57   HH12  ARG   6          2HH1      ARG   6  -1.440   4.269 -10.952
   58   HH21  ARG   6          1HH2      ARG   6  -4.206   4.463  -8.823
   59   HH22  ARG   6          2HH2      ARG   6  -3.492   3.628 -10.160
   60    H    HIS   7           H        HIS   7  -3.278   5.843  -3.719
   61    HA   HIS   7           HA       HIS   7  -5.549   7.142  -4.888
   62    HB2  HIS   7           2HB      HIS   7  -4.967   4.595  -3.715
   63    HB3  HIS   7           3HB      HIS   7  -6.393   5.268  -2.930
   64    HD1  HIS   7           HD1      HIS   7  -8.480   5.705  -4.452
   65    HD2  HIS   7           HD2      HIS   7  -5.331   3.750  -6.328
   66    HE1  HIS   7           HE1      HIS   7  -9.442   4.767  -6.578
   67    H    ALA   8           H        ALA   8  -3.863   7.415  -1.928
   68    HA   ALA   8           HA       ALA   8  -6.051   8.358  -0.335
   69    HB1  ALA   8           1HB      ALA   8  -4.351   8.936   1.307
   70    HB2  ALA   8           2HB      ALA   8  -4.080   7.311   0.675
   71    HB3  ALA   8           3HB      ALA   8  -3.083   8.653   0.114
   72    H    PHE   9           H        PHE   9  -3.888   9.765  -2.622
   73    HA   PHE   9           HA       PHE   9  -3.926  12.440  -1.746
   74    HB2  PHE   9           2HB      PHE   9  -2.760  11.041  -3.841
   75    HB3  PHE   9           3HB      PHE   9  -3.859  12.155  -4.646
   76    HD1  PHE   9           HD1      PHE   9  -0.904  11.869  -2.499
   77    HD2  PHE   9           HD2      PHE   9  -3.485  14.524  -4.599
   78    HE1  PHE   9           HE1      PHE   9   0.736  13.681  -2.217
   79    HE2  PHE   9           HE2      PHE   9  -1.848  16.340  -4.321
   80    HZ   PHE   9           HZ       PHE   9   0.266  15.920  -3.130
   81    H    ARG  10           H        ARG  10  -6.256  10.503  -3.427
   82    HA   ARG  10           HA       ARG  10  -7.795  12.670  -4.479
   83    HB2  ARG  10           2HB      ARG  10  -7.880   9.782  -4.526
   84    HB3  ARG  10           3HB      ARG  10  -9.477  10.441  -4.198
   85    HG2  ARG  10           2HG      ARG  10  -9.405  11.755  -6.211
   86    HG3  ARG  10           3HG      ARG  10  -7.738  11.260  -6.514
   87    HD2  ARG  10           2HD      ARG  10  -9.568   9.017  -6.145
   88    HD3  ARG  10           3HD      ARG  10  -9.986  10.042  -7.518
   89    HE   ARG  10           HE       ARG  10  -7.688   8.323  -7.267
   90   HH11  ARG  10          1HH1      ARG  10  -9.063  11.080  -8.887
   91   HH12  ARG  10          2HH1      ARG  10  -8.042  10.935 -10.280
   92   HH21  ARG  10          1HH2      ARG  10  -6.338   8.121  -9.094
   93   HH22  ARG  10          2HH2      ARG  10  -6.493   9.251 -10.397
   94    H    SEP  11           H        SEP  11  -7.624  10.980  -1.422
   95    HA   SEP  11           HA       SEP  11 -10.258  11.674  -0.491
   96    HB2  SEP  11           2HB      SEP  11  -9.383   9.966   0.884
   97    HB3  SEP  11           3HB      SEP  11  -7.737  10.532   0.757
   98    H    MET  12           H        MET  12  -7.169  13.301  -0.447
   99    HA   MET  12           HA       MET  12  -7.991  15.486   1.182
  100    HB2  MET  12           2HB      MET  12  -5.636  14.817  -0.489
  101    HB3  MET  12           3HB      MET  12  -5.926  16.526  -0.197
  102    HG2  MET  12           2HG      MET  12  -5.087  16.379   1.841
  103    HG3  MET  12           3HG      MET  12  -6.187  15.065   2.250
  104    HE1  MET  12           3HE      MET  12  -2.905  15.595  -0.040
  105    HE2  MET  12           1HE      MET  12  -2.701  16.203   1.603
  106    HE3  MET  12           2HE      MET  12  -1.794  14.788   1.068
  107    H    PHE  13           H        PHE  13  -8.297  14.723  -2.182
  108    HA   PHE  13           HA       PHE  13  -8.732  17.375  -3.124
  109    HB2  PHE  13           2HB      PHE  13  -8.875  14.652  -4.219
  110    HB3  PHE  13           3HB      PHE  13 -10.029  15.774  -4.932
  111    HD1  PHE  13           HD2      PHE  13  -6.512  16.175  -3.759
  112    HD2  PHE  13           HD1      PHE  13  -9.269  16.445  -6.989
  113    HE1  PHE  13           HE2      PHE  13  -4.734  17.084  -5.195
  114    HE2  PHE  13           HE1      PHE  13  -7.495  17.355  -8.432
  115    HZ   PHE  13           HZ       PHE  13  -5.224  17.676  -7.535
  116    HA   PRO  14           HA       PRO  14 -12.957  18.066  -2.150
  117    HB2  PRO  14           2HB      PRO  14 -13.861  19.359  -4.358
  118    HB3  PRO  14           3HB      PRO  14 -12.745  20.098  -3.203
  119    HG2  PRO  14           2HG      PRO  14 -12.187  18.888  -5.870
  120    HG3  PRO  14           3HG      PRO  14 -11.450  20.306  -5.101
  121    HD2  PRO  14           2HD      PRO  14 -10.267  17.862  -5.224
  122    HD3  PRO  14           3HD      PRO  14  -9.923  19.093  -3.992
  123    H    SER  15           H        SER  15 -12.172  16.175  -4.921
  124    HA   SER  15           HA       SER  15 -14.813  15.514  -5.739
  125    HB2  SER  15           2HB      SER  15 -12.179  14.089  -6.178
  126    HB3  SER  15           3HB      SER  15 -13.695  13.638  -6.959
  127    HG   SER  15           HG       SER  15 -12.056  15.855  -7.383
  128    H    SER  16           H        SER  16 -12.693  14.355  -3.256
  129    HA   SER  16           HA       SER  16 -13.947  11.834  -2.842
  130    HB2  SER  16           2HB      SER  16 -11.724  12.089  -2.016
  131    HB3  SER  16           3HB      SER  16 -12.155  13.539  -1.109
  132    HG   SER  16           HG       SER  16 -12.182  11.045  -0.263
  133    H    GLU  17           H        GLU  17 -14.501  15.077  -1.648
  134    HA   GLU  17           HA       GLU  17 -16.482  14.161   0.276
  135    HB2  GLU  17           2HB      GLU  17 -16.655  16.498   0.933
  136    HB3  GLU  17           3HB      GLU  17 -14.968  16.003   0.884
  137    HG2  GLU  17           2HG      GLU  17 -14.632  17.132  -1.199
  138    HG3  GLU  17           3HG      GLU  17 -16.352  17.492  -1.332
  Start of MODEL   10
    1    H1   ARG   1           H        ARG   1   5.519   0.063  -2.519
    2    HA   ARG   1           HA       ARG   1   3.358  -0.264  -3.555
    3    HB2  ARG   1           2HB      ARG   1   2.605  -0.234  -0.686
    4    HB3  ARG   1           3HB      ARG   1   1.439   0.448  -1.811
    5    HG2  ARG   1           2HG      ARG   1   1.282  -1.607  -3.010
    6    HG3  ARG   1           3HG      ARG   1   2.629  -2.298  -2.103
    7    HD2  ARG   1           2HD      ARG   1   0.420  -1.313  -0.446
    8    HD3  ARG   1           3HD      ARG   1  -0.006  -2.654  -1.508
    9    HE   ARG   1           HE       ARG   1   2.342  -3.404  -0.305
   10   HH11  ARG   1          1HH1      ARG   1  -0.833  -2.466   0.771
   11   HH12  ARG   1          2HH1      ARG   1  -0.775  -3.434   2.207
   12   HH21  ARG   1          1HH2      ARG   1   2.430  -4.683   1.581
   13   HH22  ARG   1          2HH2      ARG   1   1.082  -4.694   2.667
   14    H    SER   2           H        SER   2   4.487   1.626  -4.441
   15    HA   SER   2           HA       SER   2   3.870   4.213  -3.306
   16    HB2  SER   2           2HB      SER   2   4.907   4.559  -5.901
   17    HB3  SER   2           3HB      SER   2   5.776   4.712  -4.374
   18    HG   SER   2           HG       SER   2   6.874   3.173  -5.441
   19    H    LYS   3           H        LYS   3   2.696   2.142  -5.851
   20    HA   LYS   3           HA       LYS   3   1.157   4.136  -7.198
   21    HB2  LYS   3           2HB      LYS   3   0.102   2.219  -8.346
   22    HB3  LYS   3           3HB      LYS   3   1.859   2.136  -8.378
   23    HG2  LYS   3           2HG      LYS   3   1.894   0.442  -6.717
   24    HG3  LYS   3           3HG      LYS   3   0.176   0.656  -6.373
   25    HD2  LYS   3           2HD      LYS   3  -0.480  -0.428  -8.297
   26    HD3  LYS   3           3HD      LYS   3   1.028  -0.069  -9.140
   27    HE2  LYS   3           2HE      LYS   3   2.143  -1.626  -7.459
   28    HE3  LYS   3           3HE      LYS   3   0.514  -2.143  -7.025
   29    HZ1  LYS   3           3HZ      LYS   3   1.762  -3.476  -8.784
   30    HZ2  LYS   3           1HZ      LYS   3   1.436  -2.187  -9.831
   31    HZ3  LYS   3           2HZ      LYS   3   0.161  -3.045  -9.123
   32    H    ASP   4           H        ASP   4   0.629   2.025  -4.486
   33    HA   ASP   4           HA       ASP   4  -2.211   2.203  -4.445
   34    HB2  ASP   4           2HB      ASP   4  -0.187   0.875  -2.949
   35    HB3  ASP   4           3HB      ASP   4  -1.186   1.779  -1.813
   36    H    LEU   5           H        LEU   5   0.383   4.167  -3.179
   37    HA   LEU   5           HA       LEU   5  -1.264   5.717  -1.425
   38    HB2  LEU   5           2HB      LEU   5   1.528   5.563  -2.156
   39    HB3  LEU   5           3HB      LEU   5   0.983   7.236  -2.063
   40    HG   LEU   5           HG       LEU   5  -0.010   6.169   0.258
   41   HD11  LEU   5          1HD1      LEU   5   1.677   4.213  -0.568
   42   HD12  LEU   5          2HD1      LEU   5   1.278   4.547   1.117
   43   HD13  LEU   5          3HD1      LEU   5   2.755   5.205   0.413
   44   HD21  LEU   5          3HD2      LEU   5   2.019   7.306   1.288
   45   HD22  LEU   5          1HD2      LEU   5   1.005   8.290   0.233
   46   HD23  LEU   5          2HD2      LEU   5   2.533   7.645  -0.365
   47    H    ARG   6           H        ARG   6  -0.381   5.863  -4.780
   48    HA   ARG   6           HA       ARG   6  -0.839   8.546  -5.351
   49    HB2  ARG   6           2HB      ARG   6  -0.000   6.592  -6.862
   50    HB3  ARG   6           3HB      ARG   6  -1.704   6.390  -7.247
   51    HG2  ARG   6           2HG      ARG   6  -1.260   7.839  -8.893
   52    HG3  ARG   6           3HG      ARG   6  -1.415   9.053  -7.622
   53    HD2  ARG   6           2HD      ARG   6   1.227   7.747  -8.075
   54    HD3  ARG   6           3HD      ARG   6   0.689   9.004  -9.189
   55    HE   ARG   6           HE       ARG   6   0.490   9.755  -6.424
   56   HH11  ARG   6          1HH1      ARG   6   2.585   9.592  -9.200
   57   HH12  ARG   6          2HH1      ARG   6   3.630  10.859  -8.649
   58   HH21  ARG   6          1HH2      ARG   6   1.859  11.425  -5.687
   59   HH22  ARG   6          2HH2      ARG   6   3.216  11.900  -6.650
   60    H    HIS   7           H        HIS   7  -3.090   5.931  -4.796
   61    HA   HIS   7           HA       HIS   7  -5.390   7.339  -5.765
   62    HB2  HIS   7           2HB      HIS   7  -4.802   4.701  -4.936
   63    HB3  HIS   7           3HB      HIS   7  -6.083   5.286  -3.879
   64    HD1  HIS   7           HD1      HIS   7  -8.084   6.577  -5.435
   65    HD2  HIS   7           HD2      HIS   7  -5.824   3.533  -7.134
   66    HE1  HIS   7           HE1      HIS   7  -9.432   5.751  -7.391
   67    H    ALA   8           H        ALA   8  -3.583   7.361  -2.864
   68    HA   ALA   8           HA       ALA   8  -5.694   8.196  -1.115
   69    HB1  ALA   8           1HB      ALA   8  -4.116   8.249   0.555
   70    HB2  ALA   8           2HB      ALA   8  -3.388   7.093  -0.562
   71    HB3  ALA   8           3HB      ALA   8  -2.825   8.764  -0.532
   72    H    PHE   9           H        PHE   9  -3.607   9.759  -3.370
   73    HA   PHE   9           HA       PHE   9  -3.578  12.357  -2.285
   74    HB2  PHE   9           2HB      PHE   9  -2.614  11.087  -4.614
   75    HB3  PHE   9           3HB      PHE   9  -3.607  12.434  -5.161
   76    HD1  PHE   9           HD2      PHE   9  -3.095  14.741  -4.298
   77    HD2  PHE   9           HD1      PHE   9  -0.472  11.436  -3.738
   78    HE1  PHE   9           HE2      PHE   9  -1.244  16.293  -3.836
   79    HE2  PHE   9           HE1      PHE   9   1.384  12.983  -3.274
   80    HZ   PHE   9           HZ       PHE   9   1.000  15.416  -3.324
   81    H    ARG  10           H        ARG  10  -5.987  10.585  -4.042
   82    HA   ARG  10           HA       ARG  10  -7.542  12.852  -4.832
   83    HB2  ARG  10           2HB      ARG  10  -7.516  10.177  -5.498
   84    HB3  ARG  10           3HB      ARG  10  -8.990  10.325  -4.551
   85    HG2  ARG  10           2HG      ARG  10  -9.860  11.983  -6.026
   86    HG3  ARG  10           3HG      ARG  10  -8.323  12.101  -6.884
   87    HD2  ARG  10           2HD      ARG  10  -9.983  10.784  -8.128
   88    HD3  ARG  10           3HD      ARG  10  -8.567   9.829  -7.691
   89    HE   ARG  10           HE       ARG  10  -9.907   8.499  -6.399
   90   HH11  ARG  10          1HH1      ARG  10 -11.608  11.442  -7.152
   91   HH12  ARG  10          2HH1      ARG  10 -13.112  10.897  -6.488
   92   HH21  ARG  10          1HH2      ARG  10 -11.882   7.769  -5.521
   93   HH22  ARG  10          2HH2      ARG  10 -13.266   8.808  -5.560
   94    H    SEP  11           H        SEP  11  -7.292  10.857  -1.968
   95    HA   SEP  11           HA       SEP  11  -9.881  11.421  -0.878
   96    HB2  SEP  11           2HB      SEP  11  -8.668   9.566   0.136
   97    HB3  SEP  11           3HB      SEP  11  -7.219  10.505   0.389
   98    H    MET  12           H        MET  12  -6.860  13.160  -0.860
   99    HA   MET  12           HA       MET  12  -7.663  15.177   0.980
  100    HB2  MET  12           2HB      MET  12  -5.318  14.504  -0.490
  101    HB3  MET  12           3HB      MET  12  -5.699  16.188  -0.822
  102    HG2  MET  12           2HG      MET  12  -5.855  16.530   1.662
  103    HG3  MET  12           3HG      MET  12  -5.193  14.907   1.846
  104    HE1  MET  12           3HE      MET  12  -2.831  18.586   1.756
  105    HE2  MET  12           1HE      MET  12  -4.578  18.536   1.520
  106    HE3  MET  12           2HE      MET  12  -3.861  17.807   2.957
  107    H    PHE  13           H        PHE  13  -8.137  14.665  -2.412
  108    HA   PHE  13           HA       PHE  13  -8.719  17.356  -3.123
  109    HB2  PHE  13           2HB      PHE  13  -8.801  14.730  -4.409
  110    HB3  PHE  13           3HB      PHE  13 -10.098  15.797  -4.937
  111    HD1  PHE  13           HD2      PHE  13  -6.491  16.279  -4.100
  112    HD2  PHE  13           HD1      PHE  13  -9.620  16.793  -6.939
  113    HE1  PHE  13           HE2      PHE  13  -4.925  17.424  -5.613
  114    HE2  PHE  13           HE1      PHE  13  -8.059  17.938  -8.457
  115    HZ   PHE  13           HZ       PHE  13  -5.709  18.257  -7.795
  116    HA   PRO  14           HA       PRO  14 -12.889  17.840  -1.837
  117    HB2  PRO  14           2HB      PRO  14 -13.978  19.245  -3.883
  118    HB3  PRO  14           3HB      PRO  14 -12.802  19.943  -2.763
  119    HG2  PRO  14           2HG      PRO  14 -12.396  18.896  -5.531
  120    HG3  PRO  14           3HG      PRO  14 -11.678  20.318  -4.752
  121    HD2  PRO  14           2HD      PRO  14 -10.401  17.941  -5.081
  122    HD3  PRO  14           3HD      PRO  14 -10.014  19.091  -3.785
  123    H    SER  15           H        SER  15 -12.227  16.148  -4.759
  124    HA   SER  15           HA       SER  15 -14.893  15.458  -5.463
  125    HB2  SER  15           2HB      SER  15 -12.601  13.665  -6.149
  126    HB3  SER  15           3HB      SER  15 -13.961  14.179  -7.148
  127    HG   SER  15           HG       SER  15 -12.328  15.358  -7.925
  128    H    SER  16           H        SER  16 -12.603  14.219  -3.179
  129    HA   SER  16           HA       SER  16 -13.748  11.638  -2.849
  130    HB2  SER  16           2HB      SER  16 -12.294  11.395  -0.986
  131    HB3  SER  16           3HB      SER  16 -11.413  12.394  -2.142
  132    HG   SER  16           HG       SER  16 -11.446  13.120   0.126
  133    H    GLU  17           H        GLU  17 -14.451  14.791  -1.556
  134    HA   GLU  17           HA       GLU  17 -16.173  13.762   0.534
  135    HB2  GLU  17           2HB      GLU  17 -15.436  16.526  -0.400
  136    HB3  GLU  17           3HB      GLU  17 -16.731  16.267   0.761
  137    HG2  GLU  17           2HG      GLU  17 -14.795  14.831   1.929
  138    HG3  GLU  17           3HG      GLU  17 -13.812  16.028   1.087
  Start of MODEL   11
    1    H1   ARG   1           H        ARG   1   4.641  -0.581  -1.532
    2    HA   ARG   1           HA       ARG   1   2.758  -0.240  -2.777
    3    HB2  ARG   1           2HB      ARG   1   0.722   0.326  -1.403
    4    HB3  ARG   1           3HB      ARG   1   1.650  -1.055  -0.833
    5    HG2  ARG   1           2HG      ARG   1   2.442   1.499   0.357
    6    HG3  ARG   1           3HG      ARG   1   0.789   1.000   0.720
    7    HD2  ARG   1           2HD      ARG   1   2.090  -1.329   1.106
    8    HD3  ARG   1           3HD      ARG   1   3.359  -0.187   1.545
    9    HE   ARG   1           HE       ARG   1   0.999   0.577   2.837
   10   HH11  ARG   1          1HH1      ARG   1   3.324  -2.013   2.873
   11   HH12  ARG   1          2HH1      ARG   1   3.080  -2.384   4.547
   12   HH21  ARG   1          1HH2      ARG   1   0.668   0.098   5.042
   13   HH22  ARG   1          2HH2      ARG   1   1.568  -1.183   5.780
   14    H    SER   2           H        SER   2   4.013   1.581  -3.784
   15    HA   SER   2           HA       SER   2   3.181   4.257  -3.051
   16    HB2  SER   2           2HB      SER   2   4.557   4.791  -5.204
   17    HB3  SER   2           3HB      SER   2   5.404   4.244  -3.757
   18    HG   SER   2           HG       SER   2   6.157   2.744  -5.016
   19    H    LYS   3           H        LYS   3   2.474   1.864  -5.502
   20    HA   LYS   3           HA       LYS   3   1.023   3.600  -7.234
   21    HB2  LYS   3           2HB      LYS   3   1.705   0.779  -7.112
   22    HB3  LYS   3           3HB      LYS   3   0.047   1.022  -7.648
   23    HG2  LYS   3           2HG      LYS   3   1.569   2.889  -9.063
   24    HG3  LYS   3           3HG      LYS   3   2.505   1.393  -9.084
   25    HD2  LYS   3           2HD      LYS   3   0.888   0.239 -10.242
   26    HD3  LYS   3           3HD      LYS   3  -0.419   1.270  -9.655
   27    HE2  LYS   3           2HE      LYS   3   1.468   2.793 -11.213
   28    HE3  LYS   3           3HE      LYS   3   0.880   1.406 -12.130
   29    HZ1  LYS   3           3HZ      LYS   3  -1.386   2.113 -11.672
   30    HZ2  LYS   3           1HZ      LYS   3  -0.525   3.338 -12.459
   31    HZ3  LYS   3           2HZ      LYS   3  -0.819   3.446 -10.797
   32    H    ASP   4           H        ASP   4   0.248   1.815  -4.365
   33    HA   ASP   4           HA       ASP   4  -2.615   2.046  -4.754
   34    HB2  ASP   4           2HB      ASP   4  -0.820   0.661  -2.876
   35    HB3  ASP   4           3HB      ASP   4  -2.308   1.268  -2.154
   36    H    LEU   5           H        LEU   5  -0.055   3.746  -3.144
   37    HA   LEU   5           HA       LEU   5  -1.736   5.247  -1.380
   38    HB2  LEU   5           2HB      LEU   5   1.024   4.855  -1.747
   39    HB3  LEU   5           3HB      LEU   5   0.736   6.580  -1.971
   40    HG   LEU   5           HG       LEU   5  -0.548   6.389   0.285
   41   HD11  LEU   5          1HD1      LEU   5  -0.386   3.883   0.279
   42   HD12  LEU   5          2HD1      LEU   5   0.163   4.671   1.758
   43   HD13  LEU   5          3HD1      LEU   5   1.340   4.066   0.592
   44   HD21  LEU   5          3HD2      LEU   5   2.457   6.255   0.079
   45   HD22  LEU   5          1HD2      LEU   5   1.564   6.784   1.505
   46   HD23  LEU   5          2HD2      LEU   5   1.454   7.704   0.004
   47    H    ARG   6           H        ARG   6  -0.637   5.589  -4.656
   48    HA   ARG   6           HA       ARG   6  -0.936   8.326  -5.051
   49    HB2  ARG   6           2HB      ARG   6  -0.036   6.553  -6.666
   50    HB3  ARG   6           3HB      ARG   6  -1.715   6.264  -7.103
   51    HG2  ARG   6           2HG      ARG   6  -1.953   8.545  -7.858
   52    HG3  ARG   6           3HG      ARG   6  -0.312   8.918  -7.325
   53    HD2  ARG   6           2HD      ARG   6  -0.269   6.625  -9.038
   54    HD3  ARG   6           3HD      ARG   6  -1.146   7.933  -9.830
   55    HE   ARG   6           HE       ARG   6   1.103   9.129  -8.876
   56   HH11  ARG   6          1HH1      ARG   6   0.483   6.370 -10.905
   57   HH12  ARG   6          2HH1      ARG   6   1.951   6.540 -11.809
   58   HH21  ARG   6          1HH2      ARG   6   3.039   9.365 -10.059
   59   HH22  ARG   6          2HH2      ARG   6   3.405   8.244 -11.326
   60    H    HIS   7           H        HIS   7  -3.335   5.794  -4.829
   61    HA   HIS   7           HA       HIS   7  -5.502   7.382  -5.826
   62    HB2  HIS   7           2HB      HIS   7  -5.246   4.703  -4.520
   63    HB3  HIS   7           3HB      HIS   7  -6.831   5.467  -4.595
   64    HD1  HIS   7           HD1      HIS   7  -7.634   3.578  -6.204
   65    HD2  HIS   7           HD2      HIS   7  -4.537   5.916  -7.688
   66    HE1  HIS   7           HE1      HIS   7  -7.523   3.064  -8.663
   67    H    ALA   8           H        ALA   8  -3.883   7.105  -2.828
   68    HA   ALA   8           HA       ALA   8  -6.059   7.916  -1.150
   69    HB1  ALA   8           1HB      ALA   8  -3.278   8.381  -0.259
   70    HB2  ALA   8           2HB      ALA   8  -4.633   7.633   0.587
   71    HB3  ALA   8           3HB      ALA   8  -3.732   6.716  -0.620
   72    H    PHE   9           H        PHE   9  -3.765   9.531  -3.154
   73    HA   PHE   9           HA       PHE   9  -3.690  12.040  -1.877
   74    HB2  PHE   9           2HB      PHE   9  -3.133  11.070  -4.652
   75    HB3  PHE   9           3HB      PHE   9  -3.224  12.803  -4.355
   76    HD1  PHE   9           HD1      PHE   9  -1.594   9.741  -2.993
   77    HD2  PHE   9           HD2      PHE   9  -1.309  13.920  -3.747
   78    HE1  PHE   9           HE1      PHE   9   0.737   9.721  -2.204
   79    HE2  PHE   9           HE2      PHE   9   1.022  13.906  -2.960
   80    HZ   PHE   9           HZ       PHE   9   2.049  11.805  -2.189
   81    H    ARG  10           H        ARG  10  -6.054  10.519  -3.909
   82    HA   ARG  10           HA       ARG  10  -7.450  12.913  -4.621
   83    HB2  ARG  10           2HB      ARG  10  -7.651  10.976  -6.043
   84    HB3  ARG  10           3HB      ARG  10  -8.256  10.004  -4.708
   85    HG2  ARG  10           2HG      ARG  10 -10.331  11.053  -4.720
   86    HG3  ARG  10           3HG      ARG  10  -9.726  12.445  -5.620
   87    HD2  ARG  10           2HD      ARG  10  -9.825  11.361  -7.632
   88    HD3  ARG  10           3HD      ARG  10  -9.583   9.771  -6.909
   89    HE   ARG  10           HE       ARG  10 -12.101  10.997  -6.243
   90   HH11  ARG  10          1HH1      ARG  10 -10.384   9.002  -8.521
   91   HH12  ARG  10          2HH1      ARG  10 -11.813   8.224  -9.116
   92   HH21  ARG  10          1HH2      ARG  10 -13.991   9.981  -7.019
   93   HH22  ARG  10          2HH2      ARG  10 -13.864   8.782  -8.262
   94    H    SEP  11           H        SEP  11  -7.476  10.705  -1.908
   95    HA   SEP  11           HA       SEP  11 -10.107  11.289  -0.945
   96    HB2  SEP  11           2HB      SEP  11  -9.375   9.478   0.326
   97    HB3  SEP  11           3HB      SEP  11  -7.689   9.860   0.081
   98    H    MET  12           H        MET  12  -7.043  12.919  -0.612
   99    HA   MET  12           HA       MET  12  -7.921  14.840   1.301
  100    HB2  MET  12           2HB      MET  12  -5.515  14.164   0.761
  101    HB3  MET  12           3HB      MET  12  -5.650  15.213  -0.644
  102    HG2  MET  12           2HG      MET  12  -6.414  16.978   1.129
  103    HG3  MET  12           3HG      MET  12  -5.562  15.913   2.245
  104    HE1  MET  12           3HE      MET  12  -3.026  17.918   2.648
  105    HE2  MET  12           1HE      MET  12  -3.725  16.335   2.991
  106    HE3  MET  12           2HE      MET  12  -2.203  16.454   2.107
  107    H    PHE  13           H        PHE  13  -8.141  14.560  -2.143
  108    HA   PHE  13           HA       PHE  13  -8.562  17.310  -2.726
  109    HB2  PHE  13           2HB      PHE  13  -8.578  14.793  -4.174
  110    HB3  PHE  13           3HB      PHE  13  -9.883  15.850  -4.701
  111    HD1  PHE  13           HD2      PHE  13  -6.421  16.620  -3.567
  112    HD2  PHE  13           HD1      PHE  13  -9.261  16.736  -6.735
  113    HE1  PHE  13           HE2      PHE  13  -4.828  17.892  -4.944
  114    HE2  PHE  13           HE1      PHE  13  -7.672  18.007  -8.118
  115    HZ   PHE  13           HZ       PHE  13  -5.453  18.588  -7.223
  116    HA   PRO  14           HA       PRO  14 -12.795  17.900  -1.718
  117    HB2  PRO  14           2HB      PRO  14 -13.660  19.486  -3.742
  118    HB3  PRO  14           3HB      PRO  14 -12.555  20.053  -2.484
  119    HG2  PRO  14           2HG      PRO  14 -11.970  19.209  -5.283
  120    HG3  PRO  14           3HG      PRO  14 -11.233  20.503  -4.321
  121    HD2  PRO  14           2HD      PRO  14 -10.068  18.085  -4.761
  122    HD3  PRO  14           3HD      PRO  14  -9.731  19.138  -3.372
  123    H    SER  15           H        SER  15 -11.986  16.388  -4.704
  124    HA   SER  15           HA       SER  15 -14.619  15.869  -5.640
  125    HB2  SER  15           2HB      SER  15 -12.938  13.830  -6.603
  126    HB3  SER  15           3HB      SER  15 -13.392  15.318  -7.433
  127    HG   SER  15           HG       SER  15 -11.533  16.249  -6.821
  128    H    SER  16           H        SER  16 -12.547  14.368  -3.304
  129    HA   SER  16           HA       SER  16 -14.012  11.884  -3.232
  130    HB2  SER  16           2HB      SER  16 -11.597  12.985  -1.965
  131    HB3  SER  16           3HB      SER  16 -12.540  11.923  -0.920
  132    HG   SER  16           HG       SER  16 -12.004  10.269  -2.116
  133    H    GLU  17           H        GLU  17 -13.971  14.914  -1.480
  134    HA   GLU  17           HA       GLU  17 -15.681  13.977   0.636
  135    HB2  GLU  17           2HB      GLU  17 -14.892  16.788  -0.151
  136    HB3  GLU  17           3HB      GLU  17 -15.740  16.345   1.325
  137    HG2  GLU  17           2HG      GLU  17 -13.871  15.282   2.224
  138    HG3  GLU  17           3HG      GLU  17 -13.066  15.175   0.659
  Start of MODEL   12
    1    H1   ARG   1           H        ARG   1   2.804  -0.452   0.771
    2    HA   ARG   1           HA       ARG   1   3.977   0.288  -1.098
    3    HB2  ARG   1           2HB      ARG   1   1.402  -0.947  -1.721
    4    HB3  ARG   1           3HB      ARG   1   2.032   0.029  -3.041
    5    HG2  ARG   1           2HG      ARG   1   3.239  -1.737  -3.622
    6    HG3  ARG   1           3HG      ARG   1   4.220  -1.435  -2.187
    7    HD2  ARG   1           2HD      ARG   1   2.944  -2.966  -0.892
    8    HD3  ARG   1           3HD      ARG   1   1.710  -3.095  -2.145
    9    HE   ARG   1           HE       ARG   1   2.984  -4.693  -3.156
   10   HH11  ARG   1          1HH1      ARG   1   5.015  -2.836  -1.024
   11   HH12  ARG   1          2HH1      ARG   1   6.407  -3.840  -1.263
   12   HH21  ARG   1          1HH2      ARG   1   4.809  -6.023  -3.478
   13   HH22  ARG   1          2HH2      ARG   1   6.288  -5.652  -2.660
   14    H    SER   2           H        SER   2   4.039   1.737  -3.007
   15    HA   SER   2           HA       SER   2   3.093   4.352  -2.261
   16    HB2  SER   2           2HB      SER   2   4.213   4.648  -4.757
   17    HB3  SER   2           3HB      SER   2   5.090   4.762  -3.232
   18    HG   SER   2           HG       SER   2   6.034   3.277  -4.735
   19    H    LYS   3           H        LYS   3   2.164   1.859  -4.482
   20    HA   LYS   3           HA       LYS   3   0.577   3.495  -6.200
   21    HB2  LYS   3           2HB      LYS   3   1.343   0.740  -6.034
   22    HB3  LYS   3           3HB      LYS   3  -0.403   0.834  -6.224
   23    HG2  LYS   3           2HG      LYS   3  -0.089   2.255  -8.207
   24    HG3  LYS   3           3HG      LYS   3   1.659   2.084  -8.029
   25    HD2  LYS   3           2HD      LYS   3   0.194  -0.454  -8.042
   26    HD3  LYS   3           3HD      LYS   3   0.067   0.464  -9.545
   27    HE2  LYS   3           2HE      LYS   3   2.282   0.248 -10.023
   28    HE3  LYS   3           3HE      LYS   3   2.757   0.221  -8.325
   29    HZ1  LYS   3           3HZ      LYS   3   1.521  -2.062  -8.384
   30    HZ2  LYS   3           1HZ      LYS   3   3.124  -1.938  -8.913
   31    HZ3  LYS   3           2HZ      LYS   3   1.862  -1.983 -10.039
   32    H    ASP   4           H        ASP   4   0.063   1.920  -3.153
   33    HA   ASP   4           HA       ASP   4  -2.810   2.050  -3.266
   34    HB2  ASP   4           2HB      ASP   4  -0.773   1.138  -1.318
   35    HB3  ASP   4           3HB      ASP   4  -2.300   1.696  -0.638
   36    H    LEU   5           H        LEU   5  -0.207   4.045  -2.058
   37    HA   LEU   5           HA       LEU   5  -1.877   5.775  -0.506
   38    HB2  LEU   5           2HB      LEU   5   0.931   5.470  -1.073
   39    HB3  LEU   5           3HB      LEU   5   0.454   7.162  -1.189
   40    HG   LEU   5           HG       LEU   5  -0.123   5.450   1.221
   41   HD11  LEU   5          1HD1      LEU   5   1.804   6.481   2.277
   42   HD12  LEU   5          2HD1      LEU   5   2.192   7.331   0.782
   43   HD13  LEU   5          3HD1      LEU   5   2.298   5.572   0.848
   44   HD21  LEU   5          3HD2      LEU   5   0.045   8.444   0.997
   45   HD22  LEU   5          1HD2      LEU   5  -0.619   7.481   2.317
   46   HD23  LEU   5          2HD2      LEU   5  -1.459   7.551   0.767
   47    H    ARG   6           H        ARG   6  -0.851   5.627  -3.821
   48    HA   ARG   6           HA       ARG   6  -1.206   8.267  -4.621
   49    HB2  ARG   6           2HB      ARG   6  -0.520   5.973  -5.888
   50    HB3  ARG   6           3HB      ARG   6  -2.152   6.194  -6.504
   51    HG2  ARG   6           2HG      ARG   6  -1.479   7.771  -7.906
   52    HG3  ARG   6           3HG      ARG   6  -0.694   8.670  -6.606
   53    HD2  ARG   6           2HD      ARG   6   1.200   6.975  -6.806
   54    HD3  ARG   6           3HD      ARG   6   0.446   6.483  -8.322
   55    HE   ARG   6           HE       ARG   6   0.902   9.306  -8.165
   56   HH11  ARG   6          1HH1      ARG   6   2.357   6.234  -8.914
   57   HH12  ARG   6          2HH1      ARG   6   3.552   6.910  -9.970
   58   HH21  ARG   6          1HH2      ARG   6   2.470  10.209  -9.553
   59   HH22  ARG   6          2HH2      ARG   6   3.617   9.172 -10.332
   60    H    HIS   7           H        HIS   7  -3.555   5.765  -3.960
   61    HA   HIS   7           HA       HIS   7  -5.769   7.151  -5.138
   62    HB2  HIS   7           2HB      HIS   7  -5.302   4.601  -3.840
   63    HB3  HIS   7           3HB      HIS   7  -6.787   5.347  -3.258
   64    HD1  HIS   7           HD1      HIS   7  -8.675   5.754  -5.026
   65    HD2  HIS   7           HD2      HIS   7  -5.389   3.640  -6.438
   66    HE1  HIS   7           HE1      HIS   7  -9.415   4.735  -7.202
   67    H    ALA   8           H        ALA   8  -4.085   7.358  -2.171
   68    HA   ALA   8           HA       ALA   8  -6.241   8.386  -0.588
   69    HB1  ALA   8           1HB      ALA   8  -3.727   7.410  -0.044
   70    HB2  ALA   8           2HB      ALA   8  -3.571   9.134   0.295
   71    HB3  ALA   8           3HB      ALA   8  -4.811   8.182   1.113
   72    H    PHE   9           H        PHE   9  -4.016   9.708  -2.866
   73    HA   PHE   9           HA       PHE   9  -3.937  12.379  -1.996
   74    HB2  PHE   9           2HB      PHE   9  -3.032  10.886  -4.252
   75    HB3  PHE   9           3HB      PHE   9  -3.870  12.316  -4.843
   76    HD1  PHE   9           HD1      PHE   9  -1.049  11.104  -2.831
   77    HD2  PHE   9           HD2      PHE   9  -2.965  14.502  -4.532
   78    HE1  PHE   9           HE1      PHE   9   0.950  12.460  -2.365
   79    HE2  PHE   9           HE2      PHE   9  -0.969  15.864  -4.069
   80    HZ   PHE   9           HZ       PHE   9   0.993  14.843  -2.985
   81    H    ARG  10           H        ARG  10  -6.362  10.552  -3.675
   82    HA   ARG  10           HA       ARG  10  -7.819  12.803  -4.674
   83    HB2  ARG  10           2HB      ARG  10  -8.004   9.925  -4.808
   84    HB3  ARG  10           3HB      ARG  10  -9.577  10.625  -4.449
   85    HG2  ARG  10           2HG      ARG  10  -7.904  11.700  -6.683
   86    HG3  ARG  10           3HG      ARG  10  -8.900  10.260  -6.905
   87    HD2  ARG  10           2HD      ARG  10 -10.201  12.601  -5.648
   88    HD3  ARG  10           3HD      ARG  10  -9.790  12.747  -7.357
   89    HE   ARG  10           HE       ARG  10 -11.864  11.140  -6.213
   90   HH11  ARG  10          1HH1      ARG  10  -9.651  11.423  -8.886
   91   HH12  ARG  10          2HH1      ARG  10 -10.635  10.494  -9.968
   92   HH21  ARG  10          1HH2      ARG  10 -13.168   9.915  -7.628
   93   HH22  ARG  10          2HH2      ARG  10 -12.635   9.637  -9.252
   94    H    SEP  11           H        SEP  11  -7.712  11.009  -1.670
   95    HA   SEP  11           HA       SEP  11 -10.312  11.748  -0.704
   96    HB2  SEP  11           2HB      SEP  11  -8.223  10.089   0.255
   97    HB3  SEP  11           3HB      SEP  11  -8.189  11.389   1.419
   98    H    MET  12           H        MET  12  -7.211  13.338  -0.692
   99    HA   MET  12           HA       MET  12  -7.982  15.505   0.992
  100    HB2  MET  12           2HB      MET  12  -5.608  14.601  -0.242
  101    HB3  MET  12           3HB      MET  12  -5.879  16.239  -0.824
  102    HG2  MET  12           2HG      MET  12  -6.257  15.896   2.059
  103    HG3  MET  12           3HG      MET  12  -4.618  15.591   1.488
  104    HE1  MET  12           3HE      MET  12  -3.020  17.072   0.922
  105    HE2  MET  12           1HE      MET  12  -3.631  17.820  -0.554
  106    HE3  MET  12           2HE      MET  12  -3.107  18.830   0.794
  107    H    PHE  13           H        PHE  13  -8.336  14.797  -2.378
  108    HA   PHE  13           HA       PHE  13  -8.730  17.460  -3.291
  109    HB2  PHE  13           2HB      PHE  13  -8.868  14.774  -4.403
  110    HB3  PHE  13           3HB      PHE  13 -10.146  15.811  -5.027
  111    HD1  PHE  13           HD2      PHE  13  -6.592  16.475  -4.114
  112    HD2  PHE  13           HD1      PHE  13  -9.584  16.505  -7.141
  113    HE1  PHE  13           HE2      PHE  13  -4.993  17.497  -5.680
  114    HE2  PHE  13           HE1      PHE  13  -7.990  17.526  -8.712
  115    HZ   PHE  13           HZ       PHE  13  -5.691  18.025  -7.982
  116    HA   PRO  14           HA       PRO  14 -12.911  18.267  -2.217
  117    HB2  PRO  14           2HB      PRO  14 -13.825  19.607  -4.390
  118    HB3  PRO  14           3HB      PRO  14 -12.655  20.300  -3.261
  119    HG2  PRO  14           2HG      PRO  14 -12.205  19.074  -5.944
  120    HG3  PRO  14           3HG      PRO  14 -11.421  20.483  -5.207
  121    HD2  PRO  14           2HD      PRO  14 -10.300  18.005  -5.355
  122    HD3  PRO  14           3HD      PRO  14  -9.888  19.215  -4.123
  123    H    SER  15           H        SER  15 -12.242  16.372  -5.014
  124    HA   SER  15           HA       SER  15 -14.918  15.798  -5.782
  125    HB2  SER  15           2HB      SER  15 -14.004  14.359  -7.349
  126    HB3  SER  15           3HB      SER  15 -12.639  15.436  -7.057
  127    HG   SER  15           HG       SER  15 -11.890  13.860  -5.522
  128    H    SER  16           H        SER  16 -12.787  14.559  -3.348
  129    HA   SER  16           HA       SER  16 -14.348  12.162  -2.898
  130    HB2  SER  16           2HB      SER  16 -11.832  12.316  -2.575
  131    HB3  SER  16           3HB      SER  16 -12.163  13.269  -1.129
  132    HG   SER  16           HG       SER  16 -11.999  10.727  -1.187
  133    H    GLU  17           H        GLU  17 -14.087  15.386  -1.615
  134    HA   GLU  17           HA       GLU  17 -15.560  14.838   0.789
  135    HB2  GLU  17           2HB      GLU  17 -13.982  16.949  -0.169
  136    HB3  GLU  17           3HB      GLU  17 -15.598  17.619   0.002
  137    HG2  GLU  17           2HG      GLU  17 -13.978  16.256   2.139
  138    HG3  GLU  17           3HG      GLU  17 -14.353  17.975   2.025
  Start of MODEL   13
    1    H1   ARG   1           H        ARG   1   2.586   1.010   1.546
    2    HA   ARG   1           HA       ARG   1   3.719   1.073  -0.436
    3    HB2  ARG   1           2HB      ARG   1   1.313  -0.381  -0.753
    4    HB3  ARG   1           3HB      ARG   1   1.537   0.553  -2.226
    5    HG2  ARG   1           2HG      ARG   1   3.896  -0.900  -1.192
    6    HG3  ARG   1           3HG      ARG   1   2.585  -1.867  -1.871
    7    HD2  ARG   1           2HD      ARG   1   2.818   0.094  -3.735
    8    HD3  ARG   1           3HD      ARG   1   4.488  -0.059  -3.192
    9    HE   ARG   1           HE       ARG   1   3.062  -1.888  -4.825
   10   HH11  ARG   1          1HH1      ARG   1   5.444  -1.725  -2.292
   11   HH12  ARG   1          2HH1      ARG   1   6.209  -3.214  -2.737
   12   HH21  ARG   1          1HH2      ARG   1   4.061  -3.849  -5.422
   13   HH22  ARG   1          2HH2      ARG   1   5.423  -4.421  -4.519
   14    H    SER   2           H        SER   2   3.681   1.971  -2.763
   15    HA   SER   2           HA       SER   2   2.905   4.763  -2.561
   16    HB2  SER   2           2HB      SER   2   4.891   3.218  -4.064
   17    HB3  SER   2           3HB      SER   2   4.103   4.468  -5.026
   18    HG   SER   2           HG       SER   2   6.066   5.014  -3.687
   19    H    LYS   3           H        LYS   3   2.049   1.890  -4.350
   20    HA   LYS   3           HA       LYS   3   0.462   3.252  -6.312
   21    HB2  LYS   3           2HB      LYS   3   1.132   0.457  -5.643
   22    HB3  LYS   3           3HB      LYS   3  -0.451   0.692  -6.373
   23    HG2  LYS   3           2HG      LYS   3   0.618   1.873  -8.251
   24    HG3  LYS   3           3HG      LYS   3   2.195   1.546  -7.529
   25    HD2  LYS   3           2HD      LYS   3   1.855  -0.832  -7.753
   26    HD3  LYS   3           3HD      LYS   3   0.205  -0.577  -8.328
   27    HE2  LYS   3           2HE      LYS   3   1.427   0.878 -10.151
   28    HE3  LYS   3           3HE      LYS   3   2.801  -0.141  -9.725
   29    HZ1  LYS   3           3HZ      LYS   3   0.144  -1.110 -10.634
   30    HZ2  LYS   3           1HZ      LYS   3   1.460  -2.090 -10.221
   31    HZ3  LYS   3           2HZ      LYS   3   1.554  -1.072 -11.568
   32    H    ASP   4           H        ASP   4  -0.053   1.993  -3.125
   33    HA   ASP   4           HA       ASP   4  -2.945   2.052  -3.360
   34    HB2  ASP   4           2HB      ASP   4  -1.020   0.897  -1.544
   35    HB3  ASP   4           3HB      ASP   4  -2.235   1.807  -0.651
   36    H    LEU   5           H        LEU   5  -0.368   4.089  -2.252
   37    HA   LEU   5           HA       LEU   5  -1.994   5.814  -0.647
   38    HB2  LEU   5           2HB      LEU   5   0.776   5.516  -1.281
   39    HB3  LEU   5           3HB      LEU   5   0.304   7.194  -1.542
   40    HG   LEU   5           HG       LEU   5   1.208   6.890   0.689
   41   HD11  LEU   5          1HD1      LEU   5  -0.520   8.563   0.399
   42   HD12  LEU   5          2HD1      LEU   5  -0.667   7.804   1.984
   43   HD13  LEU   5          3HD1      LEU   5  -1.771   7.353   0.684
   44   HD21  LEU   5          3HD2      LEU   5   0.815   4.627   1.188
   45   HD22  LEU   5          1HD2      LEU   5  -0.918   4.778   0.898
   46   HD23  LEU   5          2HD2      LEU   5  -0.194   5.529   2.320
   47    H    ARG   6           H        ARG   6  -1.137   5.621  -4.008
   48    HA   ARG   6           HA       ARG   6  -1.592   8.236  -4.839
   49    HB2  ARG   6           2HB      ARG   6  -1.296   5.663  -6.068
   50    HB3  ARG   6           3HB      ARG   6  -2.625   6.519  -6.838
   51    HG2  ARG   6           2HG      ARG   6  -1.218   8.340  -7.431
   52    HG3  ARG   6           3HG      ARG   6   0.102   7.719  -6.438
   53    HD2  ARG   6           2HD      ARG   6  -0.957   5.929  -8.546
   54    HD3  ARG   6           3HD      ARG   6  -0.039   7.336  -9.080
   55    HE   ARG   6           HE       ARG   6   0.988   4.993  -7.794
   56   HH11  ARG   6          1HH1      ARG   6   1.491   8.400  -8.300
   57   HH12  ARG   6          2HH1      ARG   6   3.200   8.321  -8.027
   58   HH21  ARG   6          1HH2      ARG   6   3.237   4.876  -7.433
   59   HH22  ARG   6          2HH2      ARG   6   4.192   6.315  -7.535
   60    H    HIS   7           H        HIS   7  -3.847   5.698  -4.010
   61    HA   HIS   7           HA       HIS   7  -6.150   7.013  -5.096
   62    HB2  HIS   7           2HB      HIS   7  -5.581   4.461  -4.114
   63    HB3  HIS   7           3HB      HIS   7  -6.745   5.128  -2.972
   64    HD1  HIS   7           HD1      HIS   7  -6.523   5.225  -6.779
   65    HD2  HIS   7           HD2      HIS   7  -9.196   4.312  -3.733
   66    HE1  HIS   7           HE1      HIS   7  -8.666   4.591  -7.933
   67    H    ALA   8           H        ALA   8  -4.320   7.316  -2.226
   68    HA   ALA   8           HA       ALA   8  -6.414   8.328  -0.551
   69    HB1  ALA   8           1HB      ALA   8  -3.877   7.398  -0.103
   70    HB2  ALA   8           2HB      ALA   8  -3.698   9.134   0.153
   71    HB3  ALA   8           3HB      ALA   8  -4.890   8.224   1.081
   72    H    PHE   9           H        PHE   9  -4.340   9.652  -2.967
   73    HA   PHE   9           HA       PHE   9  -4.286  12.342  -2.148
   74    HB2  PHE   9           2HB      PHE   9  -3.535  10.818  -4.484
   75    HB3  PHE   9           3HB      PHE   9  -4.299  12.332  -4.958
   76    HD1  PHE   9           HD1      PHE   9  -1.892  11.250  -2.314
   77    HD2  PHE   9           HD2      PHE   9  -2.816  14.007  -5.422
   78    HE1  PHE   9           HE1      PHE   9   0.216  12.443  -1.878
   79    HE2  PHE   9           HE2      PHE   9  -0.709  15.204  -4.992
   80    HZ   PHE   9           HZ       PHE   9   0.810  14.421  -3.218
   81    H    ARG  10           H        ARG  10  -6.739  10.419  -3.660
   82    HA   ARG  10           HA       ARG  10  -8.292  12.599  -4.668
   83    HB2  ARG  10           2HB      ARG  10  -9.110   9.748  -4.077
   84    HB3  ARG  10           3HB      ARG  10 -10.042  10.909  -5.012
   85    HG2  ARG  10           2HG      ARG  10  -7.277  10.014  -5.781
   86    HG3  ARG  10           3HG      ARG  10  -8.751   9.226  -6.347
   87    HD2  ARG  10           2HD      ARG  10  -9.470  11.554  -7.132
   88    HD3  ARG  10           3HD      ARG  10  -7.785  12.016  -6.892
   89    HE   ARG  10           HE       ARG  10  -8.855  10.414  -9.019
   90   HH11  ARG  10          1HH1      ARG  10  -6.015  11.127  -7.137
   91   HH12  ARG  10          2HH1      ARG  10  -4.910  10.595  -8.362
   92   HH21  ARG  10          1HH2      ARG  10  -7.412   9.710 -10.639
   93   HH22  ARG  10          2HH2      ARG  10  -5.706   9.790 -10.353
   94    H    SEP  11           H        SEP  11  -7.994  10.942  -1.600
   95    HA   SEP  11           HA       SEP  11 -10.566  11.735  -0.554
   96    HB2  SEP  11           2HB      SEP  11  -9.343   9.835   0.501
   97    HB3  SEP  11           3HB      SEP  11  -7.964  10.836   0.879
   98    H    MET  12           H        MET  12  -7.417  13.224  -0.683
   99    HA   MET  12           HA       MET  12  -8.053  15.434   1.000
  100    HB2  MET  12           2HB      MET  12  -5.746  14.423  -0.157
  101    HB3  MET  12           3HB      MET  12  -5.988  15.950  -0.994
  102    HG2  MET  12           2HG      MET  12  -6.234  15.948   1.958
  103    HG3  MET  12           3HG      MET  12  -4.624  15.766   1.265
  104    HE1  MET  12           3HE      MET  12  -3.597  18.520  -0.420
  105    HE2  MET  12           1HE      MET  12  -3.401  18.846   1.303
  106    HE3  MET  12           2HE      MET  12  -3.275  17.194   0.699
  107    H    PHE  13           H        PHE  13  -8.563  14.696  -2.343
  108    HA   PHE  13           HA       PHE  13  -8.906  17.360  -3.276
  109    HB2  PHE  13           2HB      PHE  13  -9.335  14.638  -4.331
  110    HB3  PHE  13           3HB      PHE  13 -10.387  15.875  -5.011
  111    HD1  PHE  13           HD2      PHE  13  -6.794  15.795  -3.999
  112    HD2  PHE  13           HD1      PHE  13  -9.646  16.559  -7.065
  113    HE1  PHE  13           HE2      PHE  13  -4.981  16.503  -5.505
  114    HE2  PHE  13           HE1      PHE  13  -7.838  17.267  -8.576
  115    HZ   PHE  13           HZ       PHE  13  -5.502  17.241  -7.796
  116    HA   PRO  14           HA       PRO  14 -13.015  18.313  -2.055
  117    HB2  PRO  14           2HB      PRO  14 -13.970  19.655  -4.208
  118    HB3  PRO  14           3HB      PRO  14 -12.735  20.324  -3.135
  119    HG2  PRO  14           2HG      PRO  14 -12.429  19.050  -5.817
  120    HG3  PRO  14           3HG      PRO  14 -11.573  20.443  -5.131
  121    HD2  PRO  14           2HD      PRO  14 -10.542  17.930  -5.288
  122    HD3  PRO  14           3HD      PRO  14 -10.036  19.136  -4.088
  123    H    SER  15           H        SER  15 -12.514  16.363  -4.848
  124    HA   SER  15           HA       SER  15 -15.234  15.865  -5.507
  125    HB2  SER  15           2HB      SER  15 -13.118  15.445  -6.935
  126    HB3  SER  15           3HB      SER  15 -12.994  13.927  -6.045
  127    HG   SER  15           HG       SER  15 -14.433  13.181  -7.365
  128    H    SER  16           H        SER  16 -13.051  14.589  -3.138
  129    HA   SER  16           HA       SER  16 -14.643  12.236  -2.603
  130    HB2  SER  16           2HB      SER  16 -12.372  11.854  -2.195
  131    HB3  SER  16           3HB      SER  16 -12.149  13.419  -1.414
  132    HG   SER  16           HG       SER  16 -13.067  11.025  -0.371
  133    H    GLU  17           H        GLU  17 -14.247  15.462  -1.314
  134    HA   GLU  17           HA       GLU  17 -15.767  14.946   1.074
  135    HB2  GLU  17           2HB      GLU  17 -14.148  17.078   0.040
  136    HB3  GLU  17           3HB      GLU  17 -15.703  17.724   0.545
  137    HG2  GLU  17           2HG      GLU  17 -14.289  17.893   2.412
  138    HG3  GLU  17           3HG      GLU  17 -15.356  16.528   2.735
  Start of MODEL   14
    1    H1   ARG   1           H        ARG   1   4.637  -0.744  -1.180
    2    HA   ARG   1           HA       ARG   1   2.831  -0.547  -3.159
    3    HB2  ARG   1           2HB      ARG   1   1.123   0.072  -1.380
    4    HB3  ARG   1           3HB      ARG   1   2.080  -1.371  -1.077
    5    HG2  ARG   1           2HG      ARG   1   3.561  -0.030   0.384
    6    HG3  ARG   1           3HG      ARG   1   2.485   1.349   0.146
    7    HD2  ARG   1           2HD      ARG   1   0.925  -0.914   0.899
    8    HD3  ARG   1           3HD      ARG   1   2.266  -0.752   2.031
    9    HE   ARG   1           HE       ARG   1   0.019   1.021   1.735
   10   HH11  ARG   1          1HH1      ARG   1   3.307   0.708   2.837
   11   HH12  ARG   1          2HH1      ARG   1   3.195   2.025   3.957
   12   HH21  ARG   1          1HH2      ARG   1  -0.141   2.757   3.206
   13   HH22  ARG   1          2HH2      ARG   1   1.233   3.189   4.167
   14    H    SER   2           H        SER   2   4.418   1.489  -3.909
   15    HA   SER   2           HA       SER   2   3.432   4.058  -3.160
   16    HB2  SER   2           2HB      SER   2   5.607   4.158  -3.974
   17    HB3  SER   2           3HB      SER   2   5.275   3.031  -5.290
   18    HG   SER   2           HG       SER   2   5.358   5.600  -5.487
   19    H    LYS   3           H        LYS   3   2.566   1.701  -5.561
   20    HA   LYS   3           HA       LYS   3   1.047   3.458  -7.222
   21    HB2  LYS   3           2HB      LYS   3   1.959   1.333  -8.057
   22    HB3  LYS   3           3HB      LYS   3   0.921   0.449  -6.945
   23    HG2  LYS   3           2HG      LYS   3  -1.051   1.257  -8.094
   24    HG3  LYS   3           3HG      LYS   3  -0.048   2.231  -9.171
   25    HD2  LYS   3           2HD      LYS   3   1.028   0.161  -9.985
   26    HD3  LYS   3           3HD      LYS   3  -0.058  -0.780  -8.959
   27    HE2  LYS   3           2HE      LYS   3  -1.874   0.678 -10.260
   28    HE3  LYS   3           3HE      LYS   3  -0.602   0.682 -11.481
   29    HZ1  LYS   3           3HZ      LYS   3  -2.084  -1.168 -11.827
   30    HZ2  LYS   3           1HZ      LYS   3  -1.838  -1.720 -10.247
   31    HZ3  LYS   3           2HZ      LYS   3  -0.565  -1.749 -11.360
   32    H    ASP   4           H        ASP   4   0.377   1.530  -4.386
   33    HA   ASP   4           HA       ASP   4  -2.478   1.772  -4.586
   34    HB2  ASP   4           2HB      ASP   4  -0.596   0.357  -2.931
   35    HB3  ASP   4           3HB      ASP   4  -1.771   1.190  -1.917
   36    H    LEU   5           H        LEU   5   0.107   3.621  -3.198
   37    HA   LEU   5           HA       LEU   5  -1.523   5.155  -1.415
   38    HB2  LEU   5           2HB      LEU   5   1.283   5.055  -2.223
   39    HB3  LEU   5           3HB      LEU   5   0.702   6.686  -1.892
   40    HG   LEU   5           HG       LEU   5   0.345   4.445   0.079
   41   HD11  LEU   5          1HD1      LEU   5   2.691   4.494  -0.267
   42   HD12  LEU   5          2HD1      LEU   5   2.372   5.405   1.208
   43   HD13  LEU   5          3HD1      LEU   5   2.717   6.257  -0.296
   44   HD21  LEU   5          3HD2      LEU   5   0.760   7.019   1.211
   45   HD22  LEU   5          1HD2      LEU   5  -0.684   6.008   1.266
   46   HD23  LEU   5          2HD2      LEU   5  -0.462   7.158  -0.053
   47    H    ARG   6           H        ARG   6  -0.615   5.371  -4.760
   48    HA   ARG   6           HA       ARG   6  -1.023   8.076  -5.264
   49    HB2  ARG   6           2HB      ARG   6  -0.903   5.617  -6.826
   50    HB3  ARG   6           3HB      ARG   6  -2.003   6.800  -7.522
   51    HG2  ARG   6           2HG      ARG   6   0.006   8.437  -7.130
   52    HG3  ARG   6           3HG      ARG   6   0.943   6.941  -7.141
   53    HD2  ARG   6           2HD      ARG   6   0.018   6.372  -9.328
   54    HD3  ARG   6           3HD      ARG   6  -0.942   7.851  -9.313
   55    HE   ARG   6           HE       ARG   6   1.629   8.704  -8.986
   56   HH11  ARG   6          1HH1      ARG   6  -0.038   6.757 -11.342
   57   HH12  ARG   6          2HH1      ARG   6   0.993   7.228 -12.653
   58   HH21  ARG   6          1HH2      ARG   6   2.994   9.331 -10.703
   59   HH22  ARG   6          2HH2      ARG   6   2.718   8.691 -12.288
   60    H    HIS   7           H        HIS   7  -3.323   5.487  -4.792
   61    HA   HIS   7           HA       HIS   7  -5.591   6.960  -5.739
   62    HB2  HIS   7           2HB      HIS   7  -5.674   4.553  -5.816
   63    HB3  HIS   7           3HB      HIS   7  -5.360   4.439  -4.087
   64    HD1  HIS   7           HD1      HIS   7  -8.062   5.467  -6.512
   65    HD2  HIS   7           HD2      HIS   7  -7.588   4.582  -2.481
   66    HE1  HIS   7           HE1      HIS   7 -10.391   5.355  -5.570
   67    H    ALA   8           H        ALA   8  -3.804   6.875  -2.827
   68    HA   ALA   8           HA       ALA   8  -5.912   7.701  -1.070
   69    HB1  ALA   8           1HB      ALA   8  -3.266   8.412  -0.151
   70    HB2  ALA   8           2HB      ALA   8  -4.425   7.267   0.525
   71    HB3  ALA   8           3HB      ALA   8  -3.320   6.754  -0.750
   72    H    PHE   9           H        PHE   9  -3.783   9.286  -3.270
   73    HA   PHE   9           HA       PHE   9  -3.727  11.855  -2.115
   74    HB2  PHE   9           2HB      PHE   9  -2.857  10.620  -4.554
   75    HB3  PHE   9           3HB      PHE   9  -3.668  12.137  -4.931
   76    HD1  PHE   9           HD2      PHE   9  -2.905  14.223  -3.655
   77    HD2  PHE   9           HD1      PHE   9  -0.656  10.614  -3.828
   78    HE1  PHE   9           HE2      PHE   9  -0.872  15.464  -3.038
   79    HE2  PHE   9           HE1      PHE   9   1.381  11.849  -3.210
   80    HZ   PHE   9           HZ       PHE   9   1.274  14.278  -2.816
   81    H    ARG  10           H        ARG  10  -6.135  10.162  -3.946
   82    HA   ARG  10           HA       ARG  10  -7.642  12.472  -4.709
   83    HB2  ARG  10           2HB      ARG  10  -7.830   9.585  -5.043
   84    HB3  ARG  10           3HB      ARG  10  -9.396  10.318  -4.723
   85    HG2  ARG  10           2HG      ARG  10  -9.141  10.262  -7.067
   86    HG3  ARG  10           3HG      ARG  10  -8.896  11.940  -6.577
   87    HD2  ARG  10           2HD      ARG  10  -6.392  10.573  -6.503
   88    HD3  ARG  10           3HD      ARG  10  -7.160  10.273  -8.061
   89    HE   ARG  10           HE       ARG  10  -5.983  12.701  -7.196
   90   HH11  ARG  10          1HH1      ARG  10  -8.658  11.442  -9.035
   91   HH12  ARG  10          2HH1      ARG  10  -8.790  12.842 -10.047
   92   HH21  ARG  10          1HH2      ARG  10  -6.148  14.550  -8.521
   93   HH22  ARG  10          2HH2      ARG  10  -7.362  14.609  -9.754
   94    H    SEP  11           H        SEP  11  -7.470  10.403  -1.891
   95    HA   SEP  11           HA       SEP  11 -10.072  11.027  -0.836
   96    HB2  SEP  11           2HB      SEP  11  -8.556   9.061  -0.070
   97    HB3  SEP  11           3HB      SEP  11  -7.558  10.203   0.794
   98    H    MET  12           H        MET  12  -6.966  12.600  -0.680
   99    HA   MET  12           HA       MET  12  -7.694  14.569   1.239
  100    HB2  MET  12           2HB      MET  12  -5.339  13.775   0.171
  101    HB3  MET  12           3HB      MET  12  -5.614  15.246  -0.752
  102    HG2  MET  12           2HG      MET  12  -6.134  15.706   2.033
  103    HG3  MET  12           3HG      MET  12  -4.531  15.009   1.811
  104    HE1  MET  12           3HE      MET  12  -4.088  18.719   2.504
  105    HE2  MET  12           1HE      MET  12  -4.159  17.070   3.127
  106    HE3  MET  12           2HE      MET  12  -2.783  17.586   2.152
  107    H    PHE  13           H        PHE  13  -8.153  14.239  -2.177
  108    HA   PHE  13           HA       PHE  13  -8.581  16.985  -2.774
  109    HB2  PHE  13           2HB      PHE  13  -8.749  14.438  -4.174
  110    HB3  PHE  13           3HB      PHE  13 -10.047  15.533  -4.639
  111    HD1  PHE  13           HD2      PHE  13  -6.481  16.149  -3.746
  112    HD2  PHE  13           HD1      PHE  13  -9.535  16.416  -6.699
  113    HE1  PHE  13           HE2      PHE  13  -4.931  17.346  -5.236
  114    HE2  PHE  13           HE1      PHE  13  -7.990  17.613  -8.194
  115    HZ   PHE  13           HZ       PHE  13  -5.685  18.080  -7.463
  116    HA   PRO  14           HA       PRO  14 -12.726  17.651  -1.489
  117    HB2  PRO  14           2HB      PRO  14 -13.718  19.201  -3.479
  118    HB3  PRO  14           3HB      PRO  14 -12.513  19.783  -2.325
  119    HG2  PRO  14           2HG      PRO  14 -12.150  18.844  -5.135
  120    HG3  PRO  14           3HG      PRO  14 -11.345  20.174  -4.282
  121    HD2  PRO  14           2HD      PRO  14 -10.213  17.746  -4.714
  122    HD3  PRO  14           3HD      PRO  14  -9.771  18.817  -3.369
  123    H    SER  15           H        SER  15 -12.138  16.045  -4.474
  124    HA   SER  15           HA       SER  15 -14.834  15.540  -5.223
  125    HB2  SER  15           2HB      SER  15 -13.396  15.225  -7.006
  126    HB3  SER  15           3HB      SER  15 -12.163  14.449  -6.011
  127    HG   SER  15           HG       SER  15 -13.363  12.581  -6.002
  128    H    SER  16           H        SER  16 -12.639  14.079  -2.976
  129    HA   SER  16           HA       SER  16 -13.935  11.558  -2.760
  130    HB2  SER  16           2HB      SER  16 -11.555  12.393  -1.935
  131    HB3  SER  16           3HB      SER  16 -12.442  12.713  -0.444
  132    HG   SER  16           HG       SER  16 -13.233  10.381  -0.997
  133    H    GLU  17           H        GLU  17 -14.515  14.695  -1.407
  134    HA   GLU  17           HA       GLU  17 -16.258  13.714   0.684
  135    HB2  GLU  17           2HB      GLU  17 -15.061  16.274  -0.067
  136    HB3  GLU  17           3HB      GLU  17 -16.730  16.425   0.465
  137    HG2  GLU  17           2HG      GLU  17 -15.753  14.804   2.385
  138    HG3  GLU  17           3HG      GLU  17 -14.312  15.739   1.985
  Start of MODEL   15
    1    H1   ARG   1           H        ARG   1   5.430   1.305  -1.252
    2    HA   ARG   1           HA       ARG   1   3.781   0.108  -3.166
    3    HB2  ARG   1           2HB      ARG   1   2.402   0.524  -0.508
    4    HB3  ARG   1           3HB      ARG   1   1.636   0.024  -2.009
    5    HG2  ARG   1           2HG      ARG   1   3.094  -2.013  -1.967
    6    HG3  ARG   1           3HG      ARG   1   3.597  -1.531  -0.345
    7    HD2  ARG   1           2HD      ARG   1   1.057  -1.436   0.148
    8    HD3  ARG   1           3HD      ARG   1   0.904  -2.421  -1.306
    9    HE   ARG   1           HE       ARG   1   1.908  -3.255   1.256
   10   HH11  ARG   1          1HH1      ARG   1   1.917  -3.880  -2.169
   11   HH12  ARG   1          2HH1      ARG   1   2.335  -5.552  -1.995
   12   HH21  ARG   1          1HH2      ARG   1   2.459  -5.454   1.498
   13   HH22  ARG   1          2HH2      ARG   1   2.643  -6.447   0.092
   14    H    SER   2           H        SER   2   4.505   2.075  -4.124
   15    HA   SER   2           HA       SER   2   3.606   4.593  -3.022
   16    HB2  SER   2           2HB      SER   2   5.792   4.182  -4.329
   17    HB3  SER   2           3HB      SER   2   4.778   4.215  -5.771
   18    HG   SER   2           HG       SER   2   5.692   6.278  -5.182
   19    H    LYS   3           H        LYS   3   2.563   2.292  -5.400
   20    HA   LYS   3           HA       LYS   3   0.799   4.011  -6.826
   21    HB2  LYS   3           2HB      LYS   3  -0.140   1.932  -7.746
   22    HB3  LYS   3           3HB      LYS   3   1.618   1.943  -7.820
   23    HG2  LYS   3           2HG      LYS   3   1.777   0.448  -5.966
   24    HG3  LYS   3           3HG      LYS   3   0.043   0.568  -5.656
   25    HD2  LYS   3           2HD      LYS   3   1.119  -0.442  -8.273
   26    HD3  LYS   3           3HD      LYS   3   0.886  -1.511  -6.887
   27    HE2  LYS   3           2HE      LYS   3  -1.172  -1.775  -7.763
   28    HE3  LYS   3           3HE      LYS   3  -1.501  -0.250  -6.943
   29    HZ1  LYS   3           3HZ      LYS   3  -0.558   0.674  -9.222
   30    HZ2  LYS   3           1HZ      LYS   3  -2.195   0.305  -9.006
   31    HZ3  LYS   3           2HZ      LYS   3  -1.176  -0.796  -9.787
   32    H    ASP   4           H        ASP   4   0.530   2.086  -3.929
   33    HA   ASP   4           HA       ASP   4  -2.315   2.137  -3.766
   34    HB2  ASP   4           2HB      ASP   4  -0.075   1.322  -2.001
   35    HB3  ASP   4           3HB      ASP   4  -1.588   1.741  -1.203
   36    H    LEU   5           H        LEU   5   0.255   4.251  -2.685
   37    HA   LEU   5           HA       LEU   5  -1.398   5.838  -0.970
   38    HB2  LEU   5           2HB      LEU   5   1.321   5.564  -1.420
   39    HB3  LEU   5           3HB      LEU   5   0.954   7.181  -2.015
   40    HG   LEU   5           HG       LEU   5   0.122   6.287   0.729
   41   HD11  LEU   5          1HD1      LEU   5   2.479   5.922   0.702
   42   HD12  LEU   5          2HD1      LEU   5   2.180   7.446   1.537
   43   HD13  LEU   5          3HD1      LEU   5   2.764   7.453  -0.127
   44   HD21  LEU   5          3HD2      LEU   5  -0.845   8.290   0.669
   45   HD22  LEU   5          1HD2      LEU   5  -0.050   8.707  -0.849
   46   HD23  LEU   5          2HD2      LEU   5   0.777   8.984   0.684
   47    H    ARG   6           H        ARG   6  -0.597   5.841  -4.350
   48    HA   ARG   6           HA       ARG   6  -1.153   8.477  -5.042
   49    HB2  ARG   6           2HB      ARG   6  -0.269   6.516  -6.486
   50    HB3  ARG   6           3HB      ARG   6  -1.967   6.170  -6.786
   51    HG2  ARG   6           2HG      ARG   6  -2.225   7.938  -8.152
   52    HG3  ARG   6           3HG      ARG   6  -1.147   8.964  -7.204
   53    HD2  ARG   6           2HD      ARG   6  -0.087   6.681  -8.833
   54    HD3  ARG   6           3HD      ARG   6  -0.410   8.251  -9.568
   55    HE   ARG   6           HE       ARG   6   1.137   8.737  -7.329
   56   HH11  ARG   6          1HH1      ARG   6   1.441   6.989 -10.324
   57   HH12  ARG   6          2HH1      ARG   6   3.158   7.199 -10.423
   58   HH21  ARG   6          1HH2      ARG   6   3.397   9.020  -7.448
   59   HH22  ARG   6          2HH2      ARG   6   4.270   8.353  -8.786
   60    H    HIS   7           H        HIS   7  -3.308   5.826  -4.302
   61    HA   HIS   7           HA       HIS   7  -5.672   7.114  -5.284
   62    HB2  HIS   7           2HB      HIS   7  -5.148   4.679  -3.600
   63    HB3  HIS   7           3HB      HIS   7  -6.786   5.288  -3.819
   64    HD1  HIS   7           HD1      HIS   7  -3.903   3.875  -5.807
   65    HD2  HIS   7           HD2      HIS   7  -7.971   4.619  -6.204
   66    HE1  HIS   7           HE1      HIS   7  -4.581   2.771  -7.963
   67    H    ALA   8           H        ALA   8  -3.801   7.337  -2.433
   68    HA   ALA   8           HA       ALA   8  -5.896   8.195  -0.676
   69    HB1  ALA   8           1HB      ALA   8  -4.167   8.654   0.907
   70    HB2  ALA   8           2HB      ALA   8  -3.758   7.149   0.082
   71    HB3  ALA   8           3HB      ALA   8  -2.935   8.647  -0.355
   72    H    PHE   9           H        PHE   9  -3.911   9.705  -3.056
   73    HA   PHE   9           HA       PHE   9  -3.966  12.357  -2.092
   74    HB2  PHE   9           2HB      PHE   9  -2.798  11.068  -4.229
   75    HB3  PHE   9           3HB      PHE   9  -3.997  12.094  -5.010
   76    HD1  PHE   9           HD1      PHE   9  -1.687  12.508  -2.105
   77    HD2  PHE   9           HD2      PHE   9  -3.071  14.015  -5.837
   78    HE1  PHE   9           HE1      PHE   9  -0.173  14.435  -1.885
   79    HE2  PHE   9           HE2      PHE   9  -1.559  15.943  -5.623
   80    HZ   PHE   9           HZ       PHE   9  -0.107  16.155  -3.646
   81    H    ARG  10           H        ARG  10  -6.305  10.401  -3.737
   82    HA   ARG  10           HA       ARG  10  -7.935  12.539  -4.695
   83    HB2  ARG  10           2HB      ARG  10  -8.401   9.590  -4.297
   84    HB3  ARG  10           3HB      ARG  10  -9.679  10.665  -4.849
   85    HG2  ARG  10           2HG      ARG  10  -7.182  10.918  -6.349
   86    HG3  ARG  10           3HG      ARG  10  -7.940   9.328  -6.461
   87    HD2  ARG  10           2HD      ARG  10  -9.632  10.100  -7.710
   88    HD3  ARG  10           3HD      ARG  10  -9.823  11.545  -6.719
   89    HE   ARG  10           HE       ARG  10  -7.491  11.716  -8.324
   90   HH11  ARG  10          1HH1      ARG  10 -10.961  11.958  -8.458
   91   HH12  ARG  10          2HH1      ARG  10 -10.964  13.034  -9.817
   92   HH21  ARG  10          1HH2      ARG  10  -7.481  13.131 -10.113
   93   HH22  ARG  10          2HH2      ARG  10  -8.984  13.699 -10.758
   94    H    SEP  11           H        SEP  11  -7.613  10.822  -1.662
   95    HA   SEP  11           HA       SEP  11 -10.214  11.443  -0.613
   96    HB2  SEP  11           2HB      SEP  11  -8.913   9.663   0.492
   97    HB3  SEP  11           3HB      SEP  11  -7.542  10.707   0.770
   98    H    MET  12           H        MET  12  -7.200  13.188  -0.744
   99    HA   MET  12           HA       MET  12  -8.004  15.341   0.935
  100    HB2  MET  12           2HB      MET  12  -5.687  14.623  -0.659
  101    HB3  MET  12           3HB      MET  12  -6.065  16.334  -0.809
  102    HG2  MET  12           2HG      MET  12  -6.269  16.035   1.857
  103    HG3  MET  12           3HG      MET  12  -5.058  14.809   1.493
  104    HE1  MET  12           3HE      MET  12  -3.111  17.729   3.008
  105    HE2  MET  12           1HE      MET  12  -4.748  18.379   2.928
  106    HE3  MET  12           2HE      MET  12  -4.490  16.699   3.397
  107    H    PHE  13           H        PHE  13  -8.497  14.558  -2.401
  108    HA   PHE  13           HA       PHE  13  -9.081  17.180  -3.330
  109    HB2  PHE  13           2HB      PHE  13  -9.206  14.449  -4.384
  110    HB3  PHE  13           3HB      PHE  13 -10.482  15.495  -4.999
  111    HD1  PHE  13           HD2      PHE  13  -6.859  15.953  -4.215
  112    HD2  PHE  13           HD1      PHE  13  -9.991  16.323  -7.073
  113    HE1  PHE  13           HE2      PHE  13  -5.273  16.933  -5.821
  114    HE2  PHE  13           HE1      PHE  13  -8.410  17.302  -8.684
  115    HZ   PHE  13           HZ       PHE  13  -6.048  17.609  -8.059
  116    HA   PRO  14           HA       PRO  14 -13.237  17.784  -2.045
  117    HB2  PRO  14           2HB      PRO  14 -14.337  19.032  -4.185
  118    HB3  PRO  14           3HB      PRO  14 -13.147  19.807  -3.134
  119    HG2  PRO  14           2HG      PRO  14 -12.775  18.552  -5.817
  120    HG3  PRO  14           3HG      PRO  14 -12.034  20.019  -5.150
  121    HD2  PRO  14           2HD      PRO  14 -10.784  17.604  -5.313
  122    HD3  PRO  14           3HD      PRO  14 -10.376  18.857  -4.124
  123    H    SER  15           H        SER  15 -12.611  15.864  -4.831
  124    HA   SER  15           HA       SER  15 -15.287  15.138  -5.456
  125    HB2  SER  15           2HB      SER  15 -12.752  13.582  -6.015
  126    HB3  SER  15           3HB      SER  15 -14.302  13.395  -6.834
  127    HG   SER  15           HG       SER  15 -12.357  15.351  -7.126
  128    H    SER  16           H        SER  16 -12.983  14.067  -3.102
  129    HA   SER  16           HA       SER  16 -14.455  11.632  -2.509
  130    HB2  SER  16           2HB      SER  16 -11.808  12.714  -1.872
  131    HB3  SER  16           3HB      SER  16 -12.585  11.920  -0.503
  132    HG   SER  16           HG       SER  16 -11.273  10.649  -2.174
  133    H    GLU  17           H        GLU  17 -13.995  14.852  -1.219
  134    HA   GLU  17           HA       GLU  17 -15.448  14.252   1.218
  135    HB2  GLU  17           2HB      GLU  17 -14.506  16.932   0.187
  136    HB3  GLU  17           3HB      GLU  17 -15.035  16.561   1.822
  137    HG2  GLU  17           2HG      GLU  17 -12.969  14.759   1.262
  138    HG3  GLU  17           3HG      GLU  17 -12.431  16.322   0.651
  Start of MODEL   16
    1    H1   ARG   1           H        ARG   1   5.469   0.612  -1.298
    2    HA   ARG   1           HA       ARG   1   3.487   0.201  -2.587
    3    HB2  ARG   1           2HB      ARG   1   2.430   0.034   0.106
    4    HB3  ARG   1           3HB      ARG   1   1.407   1.036  -0.915
    5    HG2  ARG   1           2HG      ARG   1   0.465  -0.860  -1.586
    6    HG3  ARG   1           3HG      ARG   1   1.942  -1.141  -2.510
    7    HD2  ARG   1           2HD      ARG   1   2.806  -2.121  -0.238
    8    HD3  ARG   1           3HD      ARG   1   1.086  -2.291   0.106
    9    HE   ARG   1           HE       ARG   1   1.431  -3.394  -2.379
   10   HH11  ARG   1          1HH1      ARG   1   2.754  -3.931   0.797
   11   HH12  ARG   1          2HH1      ARG   1   3.022  -5.624   0.541
   12   HH21  ARG   1          1HH2      ARG   1   1.779  -5.622  -2.727
   13   HH22  ARG   1          2HH2      ARG   1   2.468  -6.584  -1.464
   14    H    SER   2           H        SER   2   4.279   2.000  -3.682
   15    HA   SER   2           HA       SER   2   3.678   4.657  -2.666
   16    HB2  SER   2           2HB      SER   2   4.683   4.858  -5.289
   17    HB3  SER   2           3HB      SER   2   5.562   5.128  -3.785
   18    HG   SER   2           HG       SER   2   6.460   3.503  -5.248
   19    H    LYS   3           H        LYS   3   2.533   2.407  -5.071
   20    HA   LYS   3           HA       LYS   3   0.926   4.286  -6.507
   21    HB2  LYS   3           2HB      LYS   3   0.986   1.272  -6.414
   22    HB3  LYS   3           3HB      LYS   3  -0.159   2.163  -7.408
   23    HG2  LYS   3           2HG      LYS   3   1.795   3.276  -8.506
   24    HG3  LYS   3           3HG      LYS   3   2.841   2.159  -7.626
   25    HD2  LYS   3           2HD      LYS   3   0.657   0.810  -8.998
   26    HD3  LYS   3           3HD      LYS   3   1.695   1.717 -10.100
   27    HE2  LYS   3           2HE      LYS   3   3.484   0.376  -9.730
   28    HE3  LYS   3           3HE      LYS   3   3.060   0.095  -8.042
   29    HZ1  LYS   3           3HZ      LYS   3   1.191  -1.321  -8.949
   30    HZ2  LYS   3           1HZ      LYS   3   2.754  -1.945  -9.117
   31    HZ3  LYS   3           2HZ      LYS   3   1.975  -1.246 -10.446
   32    H    ASP   4           H        ASP   4   0.476   2.260  -3.709
   33    HA   ASP   4           HA       ASP   4  -2.367   2.371  -3.650
   34    HB2  ASP   4           2HB      ASP   4  -0.299   1.151  -2.123
   35    HB3  ASP   4           3HB      ASP   4  -1.310   2.071  -1.013
   36    H    LEU   5           H        LEU   5   0.188   4.434  -2.453
   37    HA   LEU   5           HA       LEU   5  -1.498   6.012  -0.761
   38    HB2  LEU   5           2HB      LEU   5   1.261   6.460  -1.878
   39    HB3  LEU   5           3HB      LEU   5   0.460   7.591  -0.789
   40    HG   LEU   5           HG       LEU   5   1.086   4.726  -0.086
   41   HD11  LEU   5          1HD1      LEU   5   3.118   5.309   0.672
   42   HD12  LEU   5          2HD1      LEU   5   2.580   6.902   1.204
   43   HD13  LEU   5          3HD1      LEU   5   2.970   6.625  -0.494
   44   HD21  LEU   5          3HD2      LEU   5  -0.700   6.457   1.062
   45   HD22  LEU   5          1HD2      LEU   5   0.755   6.714   2.026
   46   HD23  LEU   5          2HD2      LEU   5   0.073   5.094   1.873
   47    H    ARG   6           H        ARG   6  -0.599   6.059  -4.115
   48    HA   ARG   6           HA       ARG   6  -1.107   8.711  -4.781
   49    HB2  ARG   6           2HB      ARG   6  -0.108   7.185  -6.371
   50    HB3  ARG   6           3HB      ARG   6  -1.562   6.197  -6.393
   51    HG2  ARG   6           2HG      ARG   6  -2.711   7.666  -7.714
   52    HG3  ARG   6           3HG      ARG   6  -1.784   9.060  -7.158
   53    HD2  ARG   6           2HD      ARG   6   0.152   8.284  -8.429
   54    HD3  ARG   6           3HD      ARG   6  -0.761   6.876  -8.969
   55    HE   ARG   6           HE       ARG   6  -0.931   9.550 -10.000
   56   HH11  ARG   6          1HH1      ARG   6  -2.620   6.532  -9.595
   57   HH12  ARG   6          2HH1      ARG   6  -3.682   6.797 -10.938
   58   HH21  ARG   6          1HH2      ARG   6  -2.324   9.909 -11.770
   59   HH22  ARG   6          2HH2      ARG   6  -3.513   8.718 -12.175
   60    H    HIS   7           H        HIS   7  -3.310   6.073  -4.147
   61    HA   HIS   7           HA       HIS   7  -5.631   7.401  -5.176
   62    HB2  HIS   7           2HB      HIS   7  -5.090   4.818  -4.587
   63    HB3  HIS   7           3HB      HIS   7  -5.979   5.282  -3.139
   64    HD1  HIS   7           HD1      HIS   7  -6.815   3.412  -5.739
   65    HD2  HIS   7           HD2      HIS   7  -8.285   7.128  -4.601
   66    HE1  HIS   7           HE1      HIS   7  -9.095   3.583  -6.786
   67    H    ALA   8           H        ALA   8  -3.842   7.560  -2.269
   68    HA   ALA   8           HA       ALA   8  -5.978   8.413  -0.560
   69    HB1  ALA   8           1HB      ALA   8  -4.474   8.058   1.032
   70    HB2  ALA   8           2HB      ALA   8  -3.305   7.634  -0.220
   71    HB3  ALA   8           3HB      ALA   8  -3.410   9.295   0.363
   72    H    PHE   9           H        PHE   9  -3.909   9.938  -2.857
   73    HA   PHE   9           HA       PHE   9  -3.950  12.573  -1.859
   74    HB2  PHE   9           2HB      PHE   9  -3.162  11.232  -4.327
   75    HB3  PHE   9           3HB      PHE   9  -3.834  12.833  -4.617
   76    HD1  PHE   9           HD1      PHE   9  -1.105  10.945  -3.085
   77    HD2  PHE   9           HD2      PHE   9  -2.708  14.817  -3.833
   78    HE1  PHE   9           HE1      PHE   9   1.050  11.955  -2.458
   79    HE2  PHE   9           HE2      PHE   9  -0.556  15.832  -3.208
   80    HZ   PHE   9           HZ       PHE   9   1.327  14.401  -2.521
   81    H    ARG  10           H        ARG  10  -6.293  10.680  -3.568
   82    HA   ARG  10           HA       ARG  10  -7.877  12.849  -4.524
   83    HB2  ARG  10           2HB      ARG  10  -8.793  10.023  -3.983
   84    HB3  ARG  10           3HB      ARG  10  -9.519  11.187  -5.083
   85    HG2  ARG  10           2HG      ARG  10  -7.307  11.131  -6.342
   86    HG3  ARG  10           3HG      ARG  10  -6.936   9.697  -5.382
   87    HD2  ARG  10           2HD      ARG  10  -8.200   8.426  -6.695
   88    HD3  ARG  10           3HD      ARG  10  -9.584   9.496  -6.470
   89    HE   ARG  10           HE       ARG  10  -9.134  10.462  -8.503
   90   HH11  ARG  10          1HH1      ARG  10  -6.426   8.509  -7.518
   91   HH12  ARG  10          2HH1      ARG  10  -5.617   8.628  -9.046
   92   HH21  ARG  10          1HH2      ARG  10  -8.079  10.626 -10.519
   93   HH22  ARG  10          2HH2      ARG  10  -6.558   9.833 -10.752
   94    H    SEP  11           H        SEP  11  -7.618  11.117  -1.494
   95    HA   SEP  11           HA       SEP  11 -10.217  11.772  -0.469
   96    HB2  SEP  11           2HB      SEP  11  -9.270  10.100   0.895
   97    HB3  SEP  11           3HB      SEP  11  -7.636  10.677   0.681
   98    H    MET  12           H        MET  12  -7.184  13.485  -0.574
   99    HA   MET  12           HA       MET  12  -7.998  15.652   1.089
  100    HB2  MET  12           2HB      MET  12  -5.624  14.824  -0.216
  101    HB3  MET  12           3HB      MET  12  -5.975  16.454  -0.773
  102    HG2  MET  12           2HG      MET  12  -5.238  17.311   1.123
  103    HG3  MET  12           3HG      MET  12  -6.357  16.318   2.053
  104    HE1  MET  12           3HE      MET  12  -3.164  16.816   0.382
  105    HE2  MET  12           1HE      MET  12  -2.340  16.829   1.941
  106    HE3  MET  12           2HE      MET  12  -2.092  15.486   0.825
  107    H    PHE  13           H        PHE  13  -8.410  14.861  -2.255
  108    HA   PHE  13           HA       PHE  13  -8.966  17.508  -3.171
  109    HB2  PHE  13           2HB      PHE  13  -9.043  14.782  -4.292
  110    HB3  PHE  13           3HB      PHE  13 -10.204  15.905  -4.992
  111    HD1  PHE  13           HD2      PHE  13  -6.617  15.954  -3.948
  112    HD2  PHE  13           HD1      PHE  13  -9.518  16.974  -6.891
  113    HE1  PHE  13           HE2      PHE  13  -4.842  16.897  -5.366
  114    HE2  PHE  13           HE1      PHE  13  -7.747  17.918  -8.314
  115    HZ   PHE  13           HZ       PHE  13  -5.405  17.881  -7.552
  116    HA   PRO  14           HA       PRO  14 -13.204  17.962  -2.110
  117    HB2  PRO  14           2HB      PRO  14 -14.203  19.275  -4.261
  118    HB3  PRO  14           3HB      PRO  14 -13.097  20.031  -3.108
  119    HG2  PRO  14           2HG      PRO  14 -12.546  18.934  -5.821
  120    HG3  PRO  14           3HG      PRO  14 -11.841  20.346  -5.014
  121    HD2  PRO  14           2HD      PRO  14 -10.591  17.942  -5.251
  122    HD3  PRO  14           3HD      PRO  14 -10.235  19.153  -4.003
  123    H    SER  15           H        SER  15 -12.374  16.185  -4.940
  124    HA   SER  15           HA       SER  15 -14.994  15.426  -5.743
  125    HB2  SER  15           2HB      SER  15 -12.220  14.587  -6.398
  126    HB3  SER  15           3HB      SER  15 -13.500  13.418  -6.726
  127    HG   SER  15           HG       SER  15 -13.990  14.556  -8.408
  128    H    SER  16           H        SER  16 -12.791  14.300  -3.318
  129    HA   SER  16           HA       SER  16 -14.115  11.763  -2.942
  130    HB2  SER  16           2HB      SER  16 -12.593  11.561  -0.973
  131    HB3  SER  16           3HB      SER  16 -11.739  11.889  -2.481
  132    HG   SER  16           HG       SER  16 -11.567  13.246  -0.262
  133    H    GLU  17           H        GLU  17 -14.261  14.973  -1.592
  134    HA   GLU  17           HA       GLU  17 -15.937  14.127   0.627
  135    HB2  GLU  17           2HB      GLU  17 -14.273  16.376   0.066
  136    HB3  GLU  17           3HB      GLU  17 -15.905  16.960   0.358
  137    HG2  GLU  17           2HG      GLU  17 -14.845  16.984   2.444
  138    HG3  GLU  17           3HG      GLU  17 -15.889  15.563   2.463
  Start of MODEL   17
    1    H1   ARG   1           H        ARG   1   1.435   0.241   0.815
    2    HA   ARG   1           HA       ARG   1   4.014   0.355  -0.475
    3    HB2  ARG   1           2HB      ARG   1   1.580  -0.912  -1.008
    4    HB3  ARG   1           3HB      ARG   1   1.756   0.280  -2.289
    5    HG2  ARG   1           2HG      ARG   1   3.403  -0.857  -3.283
    6    HG3  ARG   1           3HG      ARG   1   4.186  -1.252  -1.751
    7    HD2  ARG   1           2HD      ARG   1   2.866  -3.143  -1.425
    8    HD3  ARG   1           3HD      ARG   1   1.634  -2.594  -2.561
    9    HE   ARG   1           HE       ARG   1   3.993  -4.093  -3.171
   10   HH11  ARG   1          1HH1      ARG   1   1.708  -1.785  -4.425
   11   HH12  ARG   1          2HH1      ARG   1   1.978  -2.221  -6.080
   12   HH21  ARG   1          1HH2      ARG   1   4.357  -4.676  -5.346
   13   HH22  ARG   1          2HH2      ARG   1   3.484  -3.866  -6.602
   14    H    SER   2           H        SER   2   4.245   1.631  -2.534
   15    HA   SER   2           HA       SER   2   3.656   4.397  -1.962
   16    HB2  SER   2           2HB      SER   2   4.895   4.617  -4.284
   17    HB3  SER   2           3HB      SER   2   5.795   4.220  -2.821
   18    HG   SER   2           HG       SER   2   4.969   2.504  -4.906
   19    H    LYS   3           H        LYS   3   2.459   1.904  -4.056
   20    HA   LYS   3           HA       LYS   3   1.050   3.693  -5.819
   21    HB2  LYS   3           2HB      LYS   3   1.899   1.142  -6.091
   22    HB3  LYS   3           3HB      LYS   3   0.221   0.856  -5.652
   23    HG2  LYS   3           2HG      LYS   3  -0.576   1.677  -7.601
   24    HG3  LYS   3           3HG      LYS   3   0.710   2.877  -7.750
   25    HD2  LYS   3           2HD      LYS   3   1.927   0.338  -7.946
   26    HD3  LYS   3           3HD      LYS   3   0.495   0.301  -8.977
   27    HE2  LYS   3           2HE      LYS   3   1.277   2.466  -9.974
   28    HE3  LYS   3           3HE      LYS   3   2.779   2.265  -9.073
   29    HZ1  LYS   3           3HZ      LYS   3   3.105   1.431 -11.261
   30    HZ2  LYS   3           1HZ      LYS   3   1.708   0.479 -11.187
   31    HZ3  LYS   3           2HZ      LYS   3   3.045   0.097 -10.223
   32    H    ASP   4           H        ASP   4   0.404   2.035  -2.843
   33    HA   ASP   4           HA       ASP   4  -2.444   2.185  -2.981
   34    HB2  ASP   4           2HB      ASP   4  -0.545   1.005  -1.270
   35    HB3  ASP   4           3HB      ASP   4  -1.459   2.131  -0.271
   36    H    LEU   5           H        LEU   5   0.096   4.306  -1.873
   37    HA   LEU   5           HA       LEU   5  -1.622   6.077  -0.422
   38    HB2  LEU   5           2HB      LEU   5   1.191   5.803  -0.949
   39    HB3  LEU   5           3HB      LEU   5   0.685   7.472  -1.199
   40    HG   LEU   5           HG       LEU   5   1.555   7.010   1.079
   41   HD11  LEU   5          1HD1      LEU   5   0.324   8.827   1.440
   42   HD12  LEU   5          2HD1      LEU   5  -0.923   7.745   2.059
   43   HD13  LEU   5          3HD1      LEU   5  -0.963   8.262   0.373
   44   HD21  LEU   5          3HD2      LEU   5   0.116   5.764   2.639
   45   HD22  LEU   5          1HD2      LEU   5   0.760   4.738   1.356
   46   HD23  LEU   5          2HD2      LEU   5  -0.915   5.289   1.287
   47    H    ARG   6           H        ARG   6  -0.587   5.768  -3.722
   48    HA   ARG   6           HA       ARG   6  -1.007   8.348  -4.672
   49    HB2  ARG   6           2HB      ARG   6  -0.319   5.945  -5.795
   50    HB3  ARG   6           3HB      ARG   6  -1.917   6.217  -6.477
   51    HG2  ARG   6           2HG      ARG   6  -0.646   7.257  -8.047
   52    HG3  ARG   6           3HG      ARG   6  -0.926   8.613  -6.954
   53    HD2  ARG   6           2HD      ARG   6   1.249   8.799  -6.523
   54    HD3  ARG   6           3HD      ARG   6   1.369   7.087  -6.120
   55    HE   ARG   6           HE       ARG   6   1.264   7.507  -8.935
   56   HH11  ARG   6          1HH1      ARG   6   3.372   7.632  -6.168
   57   HH12  ARG   6          2HH1      ARG   6   4.814   7.357  -7.090
   58   HH21  ARG   6          1HH2      ARG   6   3.154   7.145 -10.160
   59   HH22  ARG   6          2HH2      ARG   6   4.688   7.081  -9.360
   60    H    HIS   7           H        HIS   7  -3.293   5.828  -3.870
   61    HA   HIS   7           HA       HIS   7  -5.540   7.087  -5.125
   62    HB2  HIS   7           2HB      HIS   7  -5.003   4.585  -3.937
   63    HB3  HIS   7           3HB      HIS   7  -6.311   5.303  -3.002
   64    HD1  HIS   7           HD1      HIS   7  -8.602   5.237  -4.014
   65    HD2  HIS   7           HD2      HIS   7  -5.624   4.297  -6.755
   66    HE1  HIS   7           HE1      HIS   7  -9.809   4.458  -6.079
   67    H    ALA   8           H        ALA   8  -3.867   7.507  -2.175
   68    HA   ALA   8           HA       ALA   8  -6.051   8.567  -0.653
   69    HB1  ALA   8           1HB      ALA   8  -3.080   8.841  -0.206
   70    HB2  ALA   8           2HB      ALA   8  -4.347   9.221   0.961
   71    HB3  ALA   8           3HB      ALA   8  -4.106   7.556   0.433
   72    H    PHE   9           H        PHE   9  -3.856   9.814  -3.002
   73    HA   PHE   9           HA       PHE   9  -3.854  12.532  -2.284
   74    HB2  PHE   9           2HB      PHE   9  -3.136  10.941  -4.648
   75    HB3  PHE   9           3HB      PHE   9  -3.645  12.586  -5.015
   76    HD1  PHE   9           HD2      PHE   9  -2.583  14.347  -3.218
   77    HD2  PHE   9           HD1      PHE   9  -0.882  10.646  -4.450
   78    HE1  PHE   9           HE2      PHE   9  -0.348  15.175  -2.606
   79    HE2  PHE   9           HE1      PHE   9   1.356  11.467  -3.840
   80    HZ   PHE   9           HZ       PHE   9   1.625  13.735  -2.918
   81    H    ARG  10           H        ARG  10  -6.208  10.545  -3.885
   82    HA   ARG  10           HA       ARG  10  -7.721  12.696  -5.013
   83    HB2  ARG  10           2HB      ARG  10  -7.670  10.149  -5.639
   84    HB3  ARG  10           3HB      ARG  10  -8.911  10.018  -4.401
   85    HG2  ARG  10           2HG      ARG  10  -9.607  12.191  -6.071
   86    HG3  ARG  10           3HG      ARG  10  -9.172  10.831  -7.109
   87    HD2  ARG  10           2HD      ARG  10 -10.932  10.315  -4.768
   88    HD3  ARG  10           3HD      ARG  10 -11.624  11.138  -6.165
   89    HE   ARG  10           HE       ARG  10 -10.213   8.839  -6.997
   90   HH11  ARG  10          1HH1      ARG  10 -13.143   9.801  -5.382
   91   HH12  ARG  10          2HH1      ARG  10 -14.028   8.393  -5.868
   92   HH21  ARG  10          1HH2      ARG  10 -11.367   6.981  -7.644
   93   HH22  ARG  10          2HH2      ARG  10 -13.016   6.789  -7.154
   94    H    SEP  11           H        SEP  11  -7.594  11.067  -1.918
   95    HA   SEP  11           HA       SEP  11 -10.231  11.854  -1.039
   96    HB2  SEP  11           2HB      SEP  11  -8.400  10.054  -0.030
   97    HB3  SEP  11           3HB      SEP  11  -8.014  11.388   1.026
   98    H    MET  12           H        MET  12  -7.083  13.347  -0.978
   99    HA   MET  12           HA       MET  12  -7.763  15.542   0.681
  100    HB2  MET  12           2HB      MET  12  -5.630  15.468  -1.456
  101    HB3  MET  12           3HB      MET  12  -5.692  16.530  -0.056
  102    HG2  MET  12           2HG      MET  12  -5.779  14.044   1.085
  103    HG3  MET  12           3HG      MET  12  -4.714  13.798  -0.297
  104    HE1  MET  12           3HE      MET  12  -5.094  14.257   2.971
  105    HE2  MET  12           1HE      MET  12  -3.402  14.374   3.456
  106    HE3  MET  12           2HE      MET  12  -4.437  15.800   3.518
  107    H    PHE  13           H        PHE  13  -8.274  14.837  -2.668
  108    HA   PHE  13           HA       PHE  13  -8.653  17.506  -3.571
  109    HB2  PHE  13           2HB      PHE  13  -8.984  14.801  -4.658
  110    HB3  PHE  13           3HB      PHE  13 -10.151  15.962  -5.282
  111    HD1  PHE  13           HD2      PHE  13  -6.513  16.064  -4.440
  112    HD2  PHE  13           HD1      PHE  13  -9.555  16.793  -7.326
  113    HE1  PHE  13           HE2      PHE  13  -4.818  16.918  -6.005
  114    HE2  PHE  13           HE1      PHE  13  -7.865  17.648  -8.897
  115    HZ   PHE  13           HZ       PHE  13  -5.493  17.712  -8.237
  116    HA   PRO  14           HA       PRO  14 -12.769  18.392  -2.320
  117    HB2  PRO  14           2HB      PRO  14 -13.741  19.759  -4.452
  118    HB3  PRO  14           3HB      PRO  14 -12.517  20.424  -3.364
  119    HG2  PRO  14           2HG      PRO  14 -12.195  19.228  -6.074
  120    HG3  PRO  14           3HG      PRO  14 -11.333  20.590  -5.336
  121    HD2  PRO  14           2HD      PRO  14 -10.305  18.078  -5.570
  122    HD3  PRO  14           3HD      PRO  14  -9.806  19.277  -4.359
  123    H    SER  15           H        SER  15 -12.250  16.478  -5.129
  124    HA   SER  15           HA       SER  15 -14.963  15.973  -5.810
  125    HB2  SER  15           2HB      SER  15 -14.106  14.707  -7.487
  126    HB3  SER  15           3HB      SER  15 -12.579  15.455  -7.019
  127    HG   SER  15           HG       SER  15 -12.318  13.228  -7.085
  128    H    SER  16           H        SER  16 -12.791  14.690  -3.435
  129    HA   SER  16           HA       SER  16 -14.354  12.315  -2.934
  130    HB2  SER  16           2HB      SER  16 -11.771  12.757  -2.556
  131    HB3  SER  16           3HB      SER  16 -12.328  13.327  -0.982
  132    HG   SER  16           HG       SER  16 -12.967  10.794  -2.093
  133    H    GLU  17           H        GLU  17 -14.035  15.537  -1.605
  134    HA   GLU  17           HA       GLU  17 -15.774  14.912   0.643
  135    HB2  GLU  17           2HB      GLU  17 -15.276  17.081   1.466
  136    HB3  GLU  17           3HB      GLU  17 -13.769  16.442   0.825
  137    HG2  GLU  17           2HG      GLU  17 -13.561  18.276  -0.386
  138    HG3  GLU  17           3HG      GLU  17 -14.988  17.793  -1.301
  Start of MODEL   18
    1    H1   ARG   1           H        ARG   1   1.202  -0.075   0.624
    2    HA   ARG   1           HA       ARG   1   3.251  -0.291  -0.661
    3    HB2  ARG   1           2HB      ARG   1   1.620  -1.848  -2.237
    4    HB3  ARG   1           3HB      ARG   1   1.880  -0.431  -3.246
    5    HG2  ARG   1           2HG      ARG   1   4.201  -0.759  -3.301
    6    HG3  ARG   1           3HG      ARG   1   4.154  -1.895  -1.951
    7    HD2  ARG   1           2HD      ARG   1   2.539  -3.171  -3.673
    8    HD3  ARG   1           3HD      ARG   1   3.572  -2.317  -4.818
    9    HE   ARG   1           HE       ARG   1   4.285  -4.562  -3.215
   10   HH11  ARG   1          1HH1      ARG   1   5.529  -1.655  -4.670
   11   HH12  ARG   1          2HH1      ARG   1   7.156  -2.244  -4.769
   12   HH21  ARG   1          1HH2      ARG   1   6.423  -5.350  -3.340
   13   HH22  ARG   1          2HH2      ARG   1   7.662  -4.347  -4.013
   14    H    SER   2           H        SER   2   3.693   1.102  -2.910
   15    HA   SER   2           HA       SER   2   3.055   3.773  -2.122
   16    HB2  SER   2           2HB      SER   2   4.989   2.525  -3.766
   17    HB3  SER   2           3HB      SER   2   4.113   3.661  -4.793
   18    HG   SER   2           HG       SER   2   5.993   4.470  -3.529
   19    H    LYS   3           H        LYS   3   1.753   1.499  -4.396
   20    HA   LYS   3           HA       LYS   3   0.322   3.409  -5.975
   21    HB2  LYS   3           2HB      LYS   3  -0.079   0.426  -5.678
   22    HB3  LYS   3           3HB      LYS   3  -0.828   1.435  -6.909
   23    HG2  LYS   3           2HG      LYS   3   1.140   1.715  -8.070
   24    HG3  LYS   3           3HG      LYS   3   2.144   1.379  -6.658
   25    HD2  LYS   3           2HD      LYS   3   2.058  -0.862  -6.966
   26    HD3  LYS   3           3HD      LYS   3   0.397  -0.823  -7.563
   27    HE2  LYS   3           2HE      LYS   3   1.054  -0.332  -9.731
   28    HE3  LYS   3           3HE      LYS   3   2.617   0.304  -9.221
   29    HZ1  LYS   3           3HZ      LYS   3   2.498  -2.372  -8.447
   30    HZ2  LYS   3           1HZ      LYS   3   3.491  -1.672  -9.625
   31    HZ3  LYS   3           2HZ      LYS   3   1.981  -2.299 -10.057
   32    H    ASP   4           H        ASP   4  -0.297   1.642  -3.045
   33    HA   ASP   4           HA       ASP   4  -3.126   1.978  -3.030
   34    HB2  ASP   4           2HB      ASP   4  -1.188   0.671  -1.421
   35    HB3  ASP   4           3HB      ASP   4  -2.089   1.760  -0.369
   36    H    LEU   5           H        LEU   5  -0.415   3.900  -1.958
   37    HA   LEU   5           HA       LEU   5  -1.962   5.713  -0.372
   38    HB2  LEU   5           2HB      LEU   5   0.640   5.158  -0.451
   39    HB3  LEU   5           3HB      LEU   5   0.636   6.549  -1.534
   40    HG   LEU   5           HG       LEU   5  -0.534   7.808   0.346
   41   HD11  LEU   5          1HD1      LEU   5  -1.273   6.057   1.749
   42   HD12  LEU   5          2HD1      LEU   5   0.026   6.871   2.621
   43   HD13  LEU   5          3HD1      LEU   5   0.334   5.332   1.816
   44   HD21  LEU   5          3HD2      LEU   5   1.990   7.762  -0.350
   45   HD22  LEU   5          1HD2      LEU   5   2.191   6.951   1.204
   46   HD23  LEU   5          2HD2      LEU   5   1.485   8.567   1.137
   47    H    ARG   6           H        ARG   6  -1.078   5.472  -3.722
   48    HA   ARG   6           HA       ARG   6  -1.378   8.108  -4.557
   49    HB2  ARG   6           2HB      ARG   6  -1.879   5.480  -5.934
   50    HB3  ARG   6           3HB      ARG   6  -2.135   7.011  -6.760
   51    HG2  ARG   6           2HG      ARG   6   0.415   7.130  -5.554
   52    HG3  ARG   6           3HG      ARG   6   0.285   5.571  -6.369
   53    HD2  ARG   6           2HD      ARG   6   0.148   6.508  -8.435
   54    HD3  ARG   6           3HD      ARG   6  -0.689   7.944  -7.846
   55    HE   ARG   6           HE       ARG   6   1.939   7.983  -6.881
   56   HH11  ARG   6          1HH1      ARG   6   0.205   8.250  -9.888
   57   HH12  ARG   6          2HH1      ARG   6   1.398   9.260 -10.636
   58   HH21  ARG   6          1HH2      ARG   6   3.516   9.313  -7.855
   59   HH22  ARG   6          2HH2      ARG   6   3.281   9.863  -9.479
   60    H    HIS   7           H        HIS   7  -3.779   5.699  -3.756
   61    HA   HIS   7           HA       HIS   7  -5.993   7.138  -4.869
   62    HB2  HIS   7           2HB      HIS   7  -5.672   4.567  -4.150
   63    HB3  HIS   7           3HB      HIS   7  -6.463   5.171  -2.697
   64    HD1  HIS   7           HD1      HIS   7  -7.086   5.510  -6.446
   65    HD2  HIS   7           HD2      HIS   7  -9.131   4.870  -2.887
   66    HE1  HIS   7           HE1      HIS   7  -9.501   5.249  -7.096
   67    H    ALA   8           H        ALA   8  -4.183   7.341  -1.977
   68    HA   ALA   8           HA       ALA   8  -6.237   8.468  -0.327
   69    HB1  ALA   8           1HB      ALA   8  -4.757   7.997   1.253
   70    HB2  ALA   8           2HB      ALA   8  -3.566   7.574   0.022
   71    HB3  ALA   8           3HB      ALA   8  -3.673   9.232   0.611
   72    H    PHE   9           H        PHE   9  -4.065   9.674  -2.718
   73    HA   PHE   9           HA       PHE   9  -3.914  12.368  -1.884
   74    HB2  PHE   9           2HB      PHE   9  -2.824  10.861  -3.936
   75    HB3  PHE   9           3HB      PHE   9  -3.872  11.997  -4.779
   76    HD1  PHE   9           HD1      PHE   9  -1.476  12.096  -1.915
   77    HD2  PHE   9           HD2      PHE   9  -2.844  13.898  -5.520
   78    HE1  PHE   9           HE1      PHE   9   0.246  13.839  -1.693
   79    HE2  PHE   9           HE2      PHE   9  -1.124  15.644  -5.304
   80    HZ   PHE   9           HZ       PHE   9   0.425  15.616  -3.389
   81    H    ARG  10           H        ARG  10  -6.363  10.538  -3.511
   82    HA   ARG  10           HA       ARG  10  -7.769  12.767  -4.617
   83    HB2  ARG  10           2HB      ARG  10  -7.967   9.927  -4.702
   84    HB3  ARG  10           3HB      ARG  10  -9.525  10.563  -4.191
   85    HG2  ARG  10           2HG      ARG  10  -9.271  12.170  -6.193
   86    HG3  ARG  10           3HG      ARG  10  -8.048  11.025  -6.748
   87    HD2  ARG  10           2HD      ARG  10  -9.582   9.331  -7.057
   88    HD3  ARG  10           3HD      ARG  10 -10.723  10.013  -5.899
   89    HE   ARG  10           HE       ARG  10 -10.413  11.722  -8.141
   90   HH11  ARG  10          1HH1      ARG  10 -11.909   8.748  -7.124
   91   HH12  ARG  10          2HH1      ARG  10 -13.197   8.850  -8.278
   92   HH21  ARG  10          1HH2      ARG  10 -12.104  11.867  -9.665
   93   HH22  ARG  10          2HH2      ARG  10 -13.307  10.624  -9.723
   94    H    SEP  11           H        SEP  11  -7.692  11.150  -1.517
   95    HA   SEP  11           HA       SEP  11 -10.273  12.014  -0.593
   96    HB2  SEP  11           2HB      SEP  11  -9.043  10.150   0.558
   97    HB3  SEP  11           3HB      SEP  11  -7.735  11.214   1.009
   98    H    MET  12           H        MET  12  -7.120  13.497  -0.660
   99    HA   MET  12           HA       MET  12  -7.819  15.772   0.909
  100    HB2  MET  12           2HB      MET  12  -5.467  14.724   0.016
  101    HB3  MET  12           3HB      MET  12  -5.660  16.094  -1.070
  102    HG2  MET  12           2HG      MET  12  -5.066  17.529   0.507
  103    HG3  MET  12           3HG      MET  12  -6.219  16.848   1.652
  104    HE1  MET  12           3HE      MET  12  -4.343  17.980   3.021
  105    HE2  MET  12           1HE      MET  12  -4.603  16.617   4.110
  106    HE3  MET  12           2HE      MET  12  -2.964  17.085   3.660
  107    H    PHE  13           H        PHE  13  -8.193  14.902  -2.420
  108    HA   PHE  13           HA       PHE  13  -8.536  17.558  -3.423
  109    HB2  PHE  13           2HB      PHE  13  -8.700  14.819  -4.483
  110    HB3  PHE  13           3HB      PHE  13  -9.812  15.956  -5.239
  111    HD1  PHE  13           HD2      PHE  13  -6.258  15.999  -4.087
  112    HD2  PHE  13           HD1      PHE  13  -9.046  16.883  -7.180
  113    HE1  PHE  13           HE2      PHE  13  -4.426  16.851  -5.490
  114    HE2  PHE  13           HE1      PHE  13  -7.217  17.736  -8.588
  115    HZ   PHE  13           HZ       PHE  13  -4.904  17.722  -7.743
  116    HA   PRO  14           HA       PRO  14 -12.777  18.290  -2.542
  117    HB2  PRO  14           2HB      PRO  14 -13.606  19.608  -4.765
  118    HB3  PRO  14           3HB      PRO  14 -12.512  20.325  -3.576
  119    HG2  PRO  14           2HG      PRO  14 -11.905  19.146  -6.241
  120    HG3  PRO  14           3HG      PRO  14 -11.148  20.524  -5.421
  121    HD2  PRO  14           2HD      PRO  14 -10.044  18.035  -5.572
  122    HD3  PRO  14           3HD      PRO  14  -9.674  19.260  -4.341
  123    H    SER  15           H        SER  15 -11.949  16.402  -5.300
  124    HA   SER  15           HA       SER  15 -14.577  15.785  -6.191
  125    HB2  SER  15           2HB      SER  15 -13.403  13.831  -7.319
  126    HB3  SER  15           3HB      SER  15 -12.797  15.433  -7.737
  127    HG   SER  15           HG       SER  15 -11.321  13.531  -6.988
  128    H    SER  16           H        SER  16 -12.542  14.584  -3.657
  129    HA   SER  16           HA       SER  16 -13.899  12.094  -3.290
  130    HB2  SER  16           2HB      SER  16 -11.746  13.592  -1.939
  131    HB3  SER  16           3HB      SER  16 -12.712  12.564  -0.881
  132    HG   SER  16           HG       SER  16 -11.820  10.871  -1.747
  133    H    GLU  17           H        GLU  17 -14.323  15.351  -2.122
  134    HA   GLU  17           HA       GLU  17 -16.274  14.532  -0.126
  135    HB2  GLU  17           2HB      GLU  17 -15.183  17.228  -0.933
  136    HB3  GLU  17           3HB      GLU  17 -16.451  17.023   0.267
  137    HG2  GLU  17           2HG      GLU  17 -14.707  15.382   1.349
  138    HG3  GLU  17           3HG      GLU  17 -13.562  16.353   0.425
  Start of MODEL   19
    1    H1   ARG   1           H        ARG   1   1.624   0.939   1.133
    2    HA   ARG   1           HA       ARG   1   3.828   0.159  -0.655
    3    HB2  ARG   1           2HB      ARG   1   1.055  -0.613  -0.808
    4    HB3  ARG   1           3HB      ARG   1   1.497   0.333  -2.223
    5    HG2  ARG   1           2HG      ARG   1   2.579  -1.384  -3.107
    6    HG3  ARG   1           3HG      ARG   1   3.537  -1.603  -1.642
    7    HD2  ARG   1           2HD      ARG   1   1.858  -2.989  -0.664
    8    HD3  ARG   1           3HD      ARG   1   0.717  -2.610  -1.954
    9    HE   ARG   1           HE       ARG   1   2.993  -3.775  -3.093
   10   HH11  ARG   1          1HH1      ARG   1   0.325  -4.622  -1.023
   11   HH12  ARG   1          2HH1      ARG   1   0.309  -6.286  -1.506
   12   HH21  ARG   1          1HH2      ARG   1   2.981  -5.963  -3.738
   13   HH22  ARG   1          2HH2      ARG   1   1.821  -7.048  -3.049
   14    H    SER   2           H        SER   2   4.006   1.512  -2.595
   15    HA   SER   2           HA       SER   2   3.531   4.299  -1.916
   16    HB2  SER   2           2HB      SER   2   4.830   3.710  -4.489
   17    HB3  SER   2           3HB      SER   2   5.353   4.764  -3.175
   18    HG   SER   2           HG       SER   2   6.789   3.105  -3.209
   19    H    LYS   3           H        LYS   3   2.417   1.884  -4.162
   20    HA   LYS   3           HA       LYS   3   1.111   3.726  -5.932
   21    HB2  LYS   3           2HB      LYS   3   0.650   0.755  -5.618
   22    HB3  LYS   3           3HB      LYS   3   0.169   1.751  -6.986
   23    HG2  LYS   3           2HG      LYS   3   2.639   2.252  -7.296
   24    HG3  LYS   3           3HG      LYS   3   2.936   0.936  -6.158
   25    HD2  LYS   3           2HD      LYS   3   2.478  -0.632  -7.690
   26    HD3  LYS   3           3HD      LYS   3   1.051   0.230  -8.271
   27    HE2  LYS   3           2HE      LYS   3   2.327   1.557  -9.740
   28    HE3  LYS   3           3HE      LYS   3   3.842   1.110  -8.956
   29    HZ1  LYS   3           3HZ      LYS   3   3.729  -1.048  -9.862
   30    HZ2  LYS   3           1HZ      LYS   3   3.373   0.002 -11.140
   31    HZ3  LYS   3           2HZ      LYS   3   2.129  -0.849 -10.373
   32    H    ASP   4           H        ASP   4   0.241   1.933  -3.066
   33    HA   ASP   4           HA       ASP   4  -2.577   2.250  -3.315
   34    HB2  ASP   4           2HB      ASP   4  -0.732   1.070  -1.436
   35    HB3  ASP   4           3HB      ASP   4  -1.953   2.009  -0.582
   36    H    LEU   5           H        LEU   5  -0.005   4.252  -2.131
   37    HA   LEU   5           HA       LEU   5  -1.656   6.010  -0.590
   38    HB2  LEU   5           2HB      LEU   5   1.167   5.835  -1.375
   39    HB3  LEU   5           3HB      LEU   5   0.560   7.477  -1.172
   40    HG   LEU   5           HG       LEU   5  -0.110   6.935   1.126
   41   HD11  LEU   5          1HD1      LEU   5   0.469   4.239   0.222
   42   HD12  LEU   5          2HD1      LEU   5  -0.473   4.792   1.607
   43   HD13  LEU   5          3HD1      LEU   5   1.278   4.630   1.740
   44   HD21  LEU   5          3HD2      LEU   5   2.216   7.762   0.444
   45   HD22  LEU   5          1HD2      LEU   5   2.755   6.115   0.776
   46   HD23  LEU   5          2HD2      LEU   5   2.027   7.080   2.061
   47    H    ARG   6           H        ARG   6  -0.691   5.787  -3.919
   48    HA   ARG   6           HA       ARG   6  -1.074   8.405  -4.777
   49    HB2  ARG   6           2HB      ARG   6  -0.183   6.411  -6.097
   50    HB3  ARG   6           3HB      ARG   6  -1.864   5.984  -6.388
   51    HG2  ARG   6           2HG      ARG   6  -1.509   7.198  -8.257
   52    HG3  ARG   6           3HG      ARG   6  -1.949   8.525  -7.181
   53    HD2  ARG   6           2HD      ARG   6  -0.011   9.438  -7.841
   54    HD3  ARG   6           3HD      ARG   6   0.727   8.297  -6.718
   55    HE   ARG   6           HE       ARG   6   1.554   7.121  -8.503
   56   HH11  ARG   6          1HH1      ARG   6  -0.882   9.345  -9.616
   57   HH12  ARG   6          2HH1      ARG   6  -0.551   9.072 -11.294
   58   HH21  ARG   6          1HH2      ARG   6   1.999   6.752 -10.710
   59   HH22  ARG   6          2HH2      ARG   6   1.088   7.596 -11.915
   60    H    HIS   7           H        HIS   7  -3.398   5.909  -4.012
   61    HA   HIS   7           HA       HIS   7  -5.640   7.255  -5.181
   62    HB2  HIS   7           2HB      HIS   7  -5.605   5.054  -3.106
   63    HB3  HIS   7           3HB      HIS   7  -6.990   5.548  -4.076
   64    HD1  HIS   7           HD1      HIS   7  -4.528   3.014  -3.961
   65    HD2  HIS   7           HD2      HIS   7  -6.252   5.235  -7.021
   66    HE1  HIS   7           HE1      HIS   7  -4.115   1.697  -6.063
   67    H    ALA   8           H        ALA   8  -3.903   7.543  -2.252
   68    HA   ALA   8           HA       ALA   8  -6.034   8.599  -0.654
   69    HB1  ALA   8           1HB      ALA   8  -3.672   7.547  -0.009
   70    HB2  ALA   8           2HB      ALA   8  -3.225   9.253   0.015
   71    HB3  ALA   8           3HB      ALA   8  -4.532   8.670   1.045
   72    H    PHE   9           H        PHE   9  -3.859   9.875  -3.004
   73    HA   PHE   9           HA       PHE   9  -3.764  12.564  -2.205
   74    HB2  PHE   9           2HB      PHE   9  -2.926  11.020  -4.450
   75    HB3  PHE   9           3HB      PHE   9  -3.789  12.431  -5.053
   76    HD1  PHE   9           HD1      PHE   9  -1.246  11.613  -2.444
   77    HD2  PHE   9           HD2      PHE   9  -2.539  14.299  -5.482
   78    HE1  PHE   9           HE1      PHE   9   0.759  12.990  -2.075
   79    HE2  PHE   9           HE2      PHE   9  -0.536  15.680  -5.119
   80    HZ   PHE   9           HZ       PHE   9   1.117  15.025  -3.414
   81    H    ARG  10           H        ARG  10  -6.248  10.696  -3.736
   82    HA   ARG  10           HA       ARG  10  -7.736  12.915  -4.761
   83    HB2  ARG  10           2HB      ARG  10  -8.310   9.994  -4.366
   84    HB3  ARG  10           3HB      ARG  10  -9.597  11.104  -4.820
   85    HG2  ARG  10           2HG      ARG  10  -7.079  11.091  -6.408
   86    HG3  ARG  10           3HG      ARG  10  -8.251   9.792  -6.635
   87    HD2  ARG  10           2HD      ARG  10  -9.449  12.454  -6.584
   88    HD3  ARG  10           3HD      ARG  10  -8.293  12.229  -7.896
   89    HE   ARG  10           HE       ARG  10  -9.875  10.004  -7.983
   90   HH11  ARG  10          1HH1      ARG  10 -10.435  13.438  -8.100
   91   HH12  ARG  10          2HH1      ARG  10 -11.849  13.306  -9.093
   92   HH21  ARG  10          1HH2      ARG  10 -11.735   9.817  -9.291
   93   HH22  ARG  10          2HH2      ARG  10 -12.588  11.246  -9.769
   94    H    SEP  11           H        SEP  11  -7.524  11.227  -1.701
   95    HA   SEP  11           HA       SEP  11 -10.075  11.949  -0.646
   96    HB2  SEP  11           2HB      SEP  11  -8.594  10.213   0.445
   97    HB3  SEP  11           3HB      SEP  11  -7.410  11.424   0.866
   98    H    MET  12           H        MET  12  -7.063  13.685  -0.900
   99    HA   MET  12           HA       MET  12  -7.764  15.900   0.708
  100    HB2  MET  12           2HB      MET  12  -5.446  15.252  -0.118
  101    HB3  MET  12           3HB      MET  12  -5.894  15.976  -1.657
  102    HG2  MET  12           2HG      MET  12  -5.426  18.004  -0.911
  103    HG3  MET  12           3HG      MET  12  -6.466  17.785   0.494
  104    HE1  MET  12           3HE      MET  12  -5.823  18.422   2.302
  105    HE2  MET  12           1HE      MET  12  -4.792  17.390   3.294
  106    HE3  MET  12           2HE      MET  12  -4.184  18.938   2.706
  107    H    PHE  13           H        PHE  13  -8.556  14.996  -2.540
  108    HA   PHE  13           HA       PHE  13  -9.366  17.627  -3.371
  109    HB2  PHE  13           2HB      PHE  13  -9.159  14.971  -4.577
  110    HB3  PHE  13           3HB      PHE  13 -10.586  15.856  -5.104
  111    HD1  PHE  13           HD2      PHE  13  -7.036  16.767  -4.386
  112    HD2  PHE  13           HD1      PHE  13 -10.286  16.865  -7.132
  113    HE1  PHE  13           HE2      PHE  13  -5.653  18.043  -5.971
  114    HE2  PHE  13           HE1      PHE  13  -8.909  18.141  -8.722
  115    HZ   PHE  13           HZ       PHE  13  -6.589  18.732  -8.142
  116    HA   PRO  14           HA       PRO  14 -13.539  17.624  -1.998
  117    HB2  PRO  14           2HB      PRO  14 -14.814  18.893  -4.028
  118    HB3  PRO  14           3HB      PRO  14 -13.708  19.721  -2.926
  119    HG2  PRO  14           2HG      PRO  14 -13.251  18.774  -5.711
  120    HG3  PRO  14           3HG      PRO  14 -12.620  20.215  -4.893
  121    HD2  PRO  14           2HD      PRO  14 -11.183  17.944  -5.320
  122    HD3  PRO  14           3HD      PRO  14 -10.841  19.150  -4.064
  123    H    SER  15           H        SER  15 -12.754  16.026  -4.948
  124    HA   SER  15           HA       SER  15 -15.340  15.032  -5.586
  125    HB2  SER  15           2HB      SER  15 -13.071  13.357  -6.409
  126    HB3  SER  15           3HB      SER  15 -14.317  14.129  -7.389
  127    HG   SER  15           HG       SER  15 -12.163  14.958  -7.726
  128    H    SER  16           H        SER  16 -12.733  13.926  -3.527
  129    HA   SER  16           HA       SER  16 -14.050  11.380  -3.024
  130    HB2  SER  16           2HB      SER  16 -11.473  12.557  -1.958
  131    HB3  SER  16           3HB      SER  16 -12.077  10.951  -1.550
  132    HG   SER  16           HG       SER  16 -11.477  10.241  -3.446
  133    H    GLU  17           H        GLU  17 -13.571  14.487  -1.512
  134    HA   GLU  17           HA       GLU  17 -14.599  13.609   1.048
  135    HB2  GLU  17           2HB      GLU  17 -13.151  15.879   0.057
  136    HB3  GLU  17           3HB      GLU  17 -14.588  16.434   0.903
  137    HG2  GLU  17           2HG      GLU  17 -13.486  14.438   2.520
  138    HG3  GLU  17           3HG      GLU  17 -12.127  15.412   1.962
  Start of MODEL   20
    1    H1   ARG   1           H        ARG   1   5.648   0.148  -1.689
    2    HA   ARG   1           HA       ARG   1   4.145   0.298  -3.439
    3    HB2  ARG   1           2HB      ARG   1   1.765   0.192  -2.507
    4    HB3  ARG   1           3HB      ARG   1   2.889  -1.055  -1.984
    5    HG2  ARG   1           2HG      ARG   1   3.204   0.030   0.130
    6    HG3  ARG   1           3HG      ARG   1   2.250   1.419  -0.395
    7    HD2  ARG   1           2HD      ARG   1   0.334  -0.219  -0.724
    8    HD3  ARG   1           3HD      ARG   1   1.315  -1.383   0.166
    9    HE   ARG   1           HE       ARG   1  -0.127   0.846   1.246
   10   HH11  ARG   1          1HH1      ARG   1   2.601  -1.268   1.707
   11   HH12  ARG   1          2HH1      ARG   1   2.651  -1.042   3.424
   12   HH21  ARG   1          1HH2      ARG   1  -0.071   1.151   3.506
   13   HH22  ARG   1          2HH2      ARG   1   1.131   0.333   4.446
   14    H    SER   2           H        SER   2   4.794   2.362  -4.265
   15    HA   SER   2           HA       SER   2   3.474   4.754  -3.378
   16    HB2  SER   2           2HB      SER   2   5.772   4.209  -4.836
   17    HB3  SER   2           3HB      SER   2   4.677   4.900  -6.033
   18    HG   SER   2           HG       SER   2   4.334   6.607  -4.398
   19    H    LYS   3           H        LYS   3   2.906   2.311  -5.771
   20    HA   LYS   3           HA       LYS   3   1.124   3.805  -7.412
   21    HB2  LYS   3           2HB      LYS   3   0.529   1.658  -8.393
   22    HB3  LYS   3           3HB      LYS   3   2.273   1.773  -8.199
   23    HG2  LYS   3           2HG      LYS   3   2.170  -0.217  -7.225
   24    HG3  LYS   3           3HG      LYS   3   1.429   0.598  -5.846
   25    HD2  LYS   3           2HD      LYS   3  -0.332  -0.734  -6.176
   26    HD3  LYS   3           3HD      LYS   3  -0.675   0.245  -7.604
   27    HE2  LYS   3           2HE      LYS   3   1.240  -2.052  -7.755
   28    HE3  LYS   3           3HE      LYS   3  -0.499  -2.332  -7.838
   29    HZ1  LYS   3           3HZ      LYS   3  -0.363  -0.470  -9.637
   30    HZ2  LYS   3           1HZ      LYS   3   0.014  -2.071 -10.034
   31    HZ3  LYS   3           2HZ      LYS   3   1.253  -0.957  -9.747
   32    H    ASP   4           H        ASP   4   0.769   1.928  -4.491
   33    HA   ASP   4           HA       ASP   4  -2.111   1.854  -4.625
   34    HB2  ASP   4           2HB      ASP   4  -0.140   0.466  -3.192
   35    HB3  ASP   4           3HB      ASP   4  -1.041   1.374  -1.981
   36    H    LEU   5           H        LEU   5   0.350   3.840  -3.129
   37    HA   LEU   5           HA       LEU   5  -1.447   5.254  -1.407
   38    HB2  LEU   5           2HB      LEU   5   1.030   4.977  -1.059
   39    HB3  LEU   5           3HB      LEU   5   1.267   6.149  -2.354
   40    HG   LEU   5           HG       LEU   5  -0.385   7.531  -0.702
   41   HD11  LEU   5          1HD1      LEU   5   0.274   5.367   0.847
   42   HD12  LEU   5          2HD1      LEU   5  -0.271   6.933   1.445
   43   HD13  LEU   5          3HD1      LEU   5   1.454   6.579   1.348
   44   HD21  LEU   5          3HD2      LEU   5   1.629   8.723   0.015
   45   HD22  LEU   5          1HD2      LEU   5   1.676   8.349  -1.708
   46   HD23  LEU   5          2HD2      LEU   5   2.626   7.391  -0.573
   47    H    ARG   6           H        ARG   6  -0.367   5.592  -4.691
   48    HA   ARG   6           HA       ARG   6  -0.876   8.286  -5.159
   49    HB2  ARG   6           2HB      ARG   6   0.074   6.363  -6.699
   50    HB3  ARG   6           3HB      ARG   6  -1.596   6.268  -7.240
   51    HG2  ARG   6           2HG      ARG   6  -1.290   8.879  -7.493
   52    HG3  ARG   6           3HG      ARG   6   0.408   8.418  -7.629
   53    HD2  ARG   6           2HD      ARG   6   0.035   7.149  -9.548
   54    HD3  ARG   6           3HD      ARG   6  -1.696   7.026  -9.242
   55    HE   ARG   6           HE       ARG   6  -0.323   9.153 -10.599
   56   HH11  ARG   6          1HH1      ARG   6  -3.165   8.279  -8.788
   57   HH12  ARG   6          2HH1      ARG   6  -4.138   9.549  -9.452
   58   HH21  ARG   6          1HH2      ARG   6  -1.594  10.829 -11.481
   59   HH22  ARG   6          2HH2      ARG   6  -3.244  10.998 -10.985
   60    H    HIS   7           H        HIS   7  -3.072   5.583  -4.872
   61    HA   HIS   7           HA       HIS   7  -5.352   6.971  -5.913
   62    HB2  HIS   7           2HB      HIS   7  -4.796   4.347  -5.484
   63    HB3  HIS   7           3HB      HIS   7  -5.810   4.695  -4.087
   64    HD1  HIS   7           HD1      HIS   7  -8.291   4.889  -4.478
   65    HD2  HIS   7           HD2      HIS   7  -6.110   4.738  -8.011
   66    HE1  HIS   7           HE1      HIS   7  -9.996   4.638  -6.310
   67    H    ALA   8           H        ALA   8  -3.727   6.900  -2.908
   68    HA   ALA   8           HA       ALA   8  -5.965   7.585  -1.255
   69    HB1  ALA   8           1HB      ALA   8  -3.430   6.676  -0.768
   70    HB2  ALA   8           2HB      ALA   8  -3.335   8.360  -0.253
   71    HB3  ALA   8           3HB      ALA   8  -4.548   7.291   0.450
   72    H    PHE   9           H        PHE   9  -3.796   9.319  -3.298
   73    HA   PHE   9           HA       PHE   9  -3.902  11.857  -2.094
   74    HB2  PHE   9           2HB      PHE   9  -3.236  10.811  -4.798
   75    HB3  PHE   9           3HB      PHE   9  -3.589  12.531  -4.664
   76    HD1  PHE   9           HD1      PHE   9  -1.692  10.036  -2.631
   77    HD2  PHE   9           HD2      PHE   9  -1.710  13.827  -4.566
   78    HE1  PHE   9           HE1      PHE   9   0.607  10.441  -1.852
   79    HE2  PHE   9           HE2      PHE   9   0.589  14.238  -3.791
   80    HZ   PHE   9           HZ       PHE   9   1.751  12.543  -2.433
   81    H    ARG  10           H        ARG  10  -6.181  10.107  -4.031
   82    HA   ARG  10           HA       ARG  10  -7.750  12.327  -4.866
   83    HB2  ARG  10           2HB      ARG  10  -7.883   9.420  -5.036
   84    HB3  ARG  10           3HB      ARG  10  -9.464  10.147  -4.782
   85    HG2  ARG  10           2HG      ARG  10  -8.968   9.844  -7.153
   86    HG3  ARG  10           3HG      ARG  10  -9.162  11.548  -6.739
   87    HD2  ARG  10           2HD      ARG  10  -6.424  10.842  -6.412
   88    HD3  ARG  10           3HD      ARG  10  -6.962  10.271  -7.991
   89    HE   ARG  10           HE       ARG  10  -6.645  13.007  -7.144
   90   HH11  ARG  10          1HH1      ARG  10  -8.177  10.847  -9.404
   91   HH12  ARG  10          2HH1      ARG  10  -8.418  12.068 -10.609
   92   HH21  ARG  10          1HH2      ARG  10  -6.957  14.624  -8.723
   93   HH22  ARG  10          2HH2      ARG  10  -7.722  14.216 -10.220
   94    H    SEP  11           H        SEP  11  -7.560  10.417  -1.939
   95    HA   SEP  11           HA       SEP  11 -10.188  11.092  -0.948
   96    HB2  SEP  11           2HB      SEP  11  -9.324   9.203   0.208
   97    HB3  SEP  11           3HB      SEP  11  -7.685   9.803   0.231
   98    H    MET  12           H        MET  12  -7.054  12.609  -0.800
   99    HA   MET  12           HA       MET  12  -7.725  14.634   1.065
  100    HB2  MET  12           2HB      MET  12  -5.454  13.897  -0.530
  101    HB3  MET  12           3HB      MET  12  -5.738  15.626  -0.684
  102    HG2  MET  12           2HG      MET  12  -5.944  15.477   1.937
  103    HG3  MET  12           3HG      MET  12  -4.966  14.031   1.696
  104    HE1  MET  12           3HE      MET  12  -2.730  13.874   1.321
  105    HE2  MET  12           1HE      MET  12  -1.541  15.177   1.332
  106    HE3  MET  12           2HE      MET  12  -2.489  14.836   2.780
  107    H    PHE  13           H        PHE  13  -8.296  14.234  -2.325
  108    HA   PHE  13           HA       PHE  13  -8.720  16.970  -2.970
  109    HB2  PHE  13           2HB      PHE  13  -9.018  14.378  -4.298
  110    HB3  PHE  13           3HB      PHE  13 -10.244  15.548  -4.777
  111    HD1  PHE  13           HD2      PHE  13  -6.647  15.979  -3.912
  112    HD2  PHE  13           HD1      PHE  13  -9.684  16.311  -6.876
  113    HE1  PHE  13           HE2      PHE  13  -5.035  17.036  -5.441
  114    HE2  PHE  13           HE1      PHE  13  -8.076  17.367  -8.410
  115    HZ   PHE  13           HZ       PHE  13  -5.749  17.732  -7.693
  116    HA   PRO  14           HA       PRO  14 -12.819  17.688  -1.565
  117    HB2  PRO  14           2HB      PRO  14 -13.850  19.235  -3.537
  118    HB3  PRO  14           3HB      PRO  14 -12.604  19.810  -2.423
  119    HG2  PRO  14           2HG      PRO  14 -12.336  18.851  -5.235
  120    HG3  PRO  14           3HG      PRO  14 -11.485  20.171  -4.412
  121    HD2  PRO  14           2HD      PRO  14 -10.414  17.703  -4.874
  122    HD3  PRO  14           3HD      PRO  14  -9.910  18.795  -3.568
  123    H    SER  15           H        SER  15 -12.336  16.042  -4.543
  124    HA   SER  15           HA       SER  15 -15.056  15.571  -5.219
  125    HB2  SER  15           2HB      SER  15 -12.450  14.302  -6.022
  126    HB3  SER  15           3HB      SER  15 -13.987  13.616  -6.547
  127    HG   SER  15           HG       SER  15 -12.876  15.295  -7.917
  128    H    SER  16           H        SER  16 -12.830  14.103  -3.008
  129    HA   SER  16           HA       SER  16 -14.396  11.691  -2.687
  130    HB2  SER  16           2HB      SER  16 -12.580  10.856  -1.630
  131    HB3  SER  16           3HB      SER  16 -11.750  12.273  -2.274
  132    HG   SER  16           HG       SER  16 -12.043  13.312  -0.333
  133    H    GLU  17           H        GLU  17 -13.996  14.779  -1.104
  134    HA   GLU  17           HA       GLU  17 -15.509  13.995   1.232
  135    HB2  GLU  17           2HB      GLU  17 -13.615  15.876   0.864
  136    HB3  GLU  17           3HB      GLU  17 -15.053  16.865   0.654
  137    HG2  GLU  17           2HG      GLU  17 -15.829  15.781   2.868
  138    HG3  GLU  17           3HG      GLU  17 -14.127  15.371   3.068