*HEADER    MEMBRANE PROTEIN, SIGNALING PROTEIN     05-FEB-15   2MZ2              
*TITLE     PHOSPHORYLATION OF CB1CANNABINOID RECEPTOR FOURTH INTRACELLULAR LOOP  
*TITLE    2 PEPTIDES: 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    INTRACELLULAR LOOP, PHOSPHORYLATION, HELIX, G PROTEIN COUPLED         
*KEYWDS   2 RECEPTOR, PROTEIN KINASE C, MEMBRANE PROTEIN, SIGNALING PROTEIN      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.GANJIWALE, K.ELDEEB, I.CHANDRASHEKAR, S.COWSIK, A.HOWLETT           
*REVDAT   1   17-FEB-16 2MZ2    0                                                


  1 ARG  HA      2 SEP  H       3.50 
  1 ARG  QB      3 LYS  H       4.50 
  2 SEP  H       3 LYS  H       2.80 
  2 SEP  HA      3 LYS  H       3.50 
  2 SEP  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      5 LEU  H       4.50 
  3 LYS  QB      4 ASP  H       4.50 
  4 ASP  HA      7 HIS  H       4.50 
  4 ASP  HA      6 ARG  H       3.50 
  4 ASP  H       5 LEU  H       2.80 
  4 ASP  HA      5 LEU  H       3.50 
  4 ASP  HA      7 HIS  QB      4.50 
  4 ASP  HB2     5 LEU  H       3.50 
  4 ASP  HB3     5 LEU  H       3.50 
  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 
  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      9 PHE  QB      4.50 
  6 ARG  HA      8 ALA  H       3.80 
  6 ARG  H       8 ALA  H       4.20 
  6 ARG  QB      7 HIS  H       3.50 
  7 HIS  H       8 ALA  H       2.80 
  7 HIS  H       9 PHE  H       4.20 
  7 HIS  HA      8 ALA  H       3.40 
  7 HIS  HA      9 PHE  H       3.80 
  7 HIS  QB      8 ALA  H       3.80 
  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  HA     11 SER  HB2     4.50 
  8 ALA  HA     11 SER  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 SER  H       4.20 
  9 PHE  HB2    10 ARG  H       4.00
  9 PHE  HB3    10 ARG  H      4.00
 10 ARG  H      11 SER  H       2.80 
 10 ARG  HA     11 SER  H       3.50 
 10 ARG  HA     13 PHE  H       4.00 
 10 ARG  HA     13 PHE  QB      4.50 
 10 ARG  H      12 MET  H       4.20 
 10 ARG  HA     12 MET  H       4.20 
 10 ARG  QB     11 SER  H       3.50 
 11 SER  H      12 MET  H       2.80 
 11 SER  HA     12 MET  H       3.50 
 11 SER  HA     13 PHE  H       4.00 
 11 SER  H      13 PHE  H       4.20 
 11 SER  HB2    12 MET  H       4.50 
 11 SER  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       1.51
 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 SER H 1.80
8 ALA O  11 SER 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  SEP  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   -90.0   -70.0
11 SER  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   1.800  -0.869  -1.812
    3    HB2  ARG   1           2HB      ARG   1   2.456   1.300  -2.900
    4    HB3  ARG   1           3HB      ARG   1   0.768   1.195  -2.419
    5    HG2  ARG   1           2HG      ARG   1   2.268   2.310  -0.268
    6    HG3  ARG   1           3HG      ARG   1   2.655   3.178  -1.755
    7    HD2  ARG   1           2HD      ARG   1   0.759   4.194  -0.592
    8    HD3  ARG   1           3HD      ARG   1   0.286   3.557  -2.167
    9    HE   ARG   1           HE       ARG   1  -0.214   1.562  -0.308
   10   HH11  ARG   1          1HH1      ARG   1  -1.299   4.802  -0.978
   11   HH12  ARG   1          2HH1      ARG   1  -2.883   4.546  -0.323
   12   HH21  ARG   1          1HH2      ARG   1  -2.295   1.213   0.556
   13   HH22  ARG   1          2HH2      ARG   1  -3.448   2.505   0.550
   14    H    SEP   2           H        SEP   2   3.335  -1.803   0.092
   15    HA   SEP   2           HA       SEP   2   5.862  -0.283   0.217
   16    HB2  SEP   2           2HB      SEP   2   5.610  -1.328   2.320
   17    HB3  SEP   2           3HB      SEP   2   4.703  -2.677   1.684
   18    H    LYS   3           H        LYS   3   4.379  -2.550  -1.768
   19    HA   LYS   3           HA       LYS   3   6.779  -3.756  -2.809
   20    HB2  LYS   3           2HB      LYS   3   3.879  -3.832  -3.611
   21    HB3  LYS   3           3HB      LYS   3   5.127  -4.562  -4.612
   22    HG2  LYS   3           2HG      LYS   3   4.638  -5.264  -1.726
   23    HG3  LYS   3           3HG      LYS   3   3.987  -6.158  -3.102
   24    HD2  LYS   3           2HD      LYS   3   5.881  -7.308  -3.266
   25    HD3  LYS   3           3HD      LYS   3   6.785  -5.810  -3.497
   26    HE2  LYS   3           2HE      LYS   3   7.739  -6.900  -1.620
   27    HE3  LYS   3           3HE      LYS   3   6.787  -5.554  -0.994
   28    HZ1  LYS   3           3HZ      LYS   3   5.146  -7.824  -1.149
   29    HZ2  LYS   3           1HZ      LYS   3   5.635  -6.972   0.228
   30    HZ3  LYS   3           2HZ      LYS   3   6.571  -8.258  -0.346
   31    H    ASP   4           H        ASP   4   5.256  -0.794  -3.215
   32    HA   ASP   4           HA       ASP   4   5.773  -0.367  -5.990
   33    HB2  ASP   4           2HB      ASP   4   4.578   1.089  -3.813
   34    HB3  ASP   4           3HB      ASP   4   5.709   2.129  -4.676
   35    H    LEU   5           H        LEU   5   7.705  -0.319  -3.172
   36    HA   LEU   5           HA       LEU   5   9.651   1.580  -3.914
   37    HB2  LEU   5           2HB      LEU   5   9.212   0.277  -1.673
   38    HB3  LEU   5           3HB      LEU   5  10.386  -0.849  -2.351
   39    HG   LEU   5           HG       LEU   5  11.161   2.009  -2.292
   40   HD11  LEU   5          1HD1      LEU   5   9.977   1.288  -0.061
   41   HD12  LEU   5          2HD1      LEU   5  11.482   2.207  -0.036
   42   HD13  LEU   5          3HD1      LEU   5  11.510   0.464   0.228
   43   HD21  LEU   5          3HD2      LEU   5  12.392  -0.444  -2.764
   44   HD22  LEU   5          1HD2      LEU   5  12.991   0.070  -1.187
   45   HD23  LEU   5          2HD2      LEU   5  13.179   1.125  -2.588
   46    H    ARG   6           H        ARG   6   8.953  -1.534  -5.115
   47    HA   ARG   6           HA       ARG   6  11.584  -2.198  -6.026
   48    HB2  ARG   6           2HB      ARG   6   8.946  -3.401  -6.066
   49    HB3  ARG   6           3HB      ARG   6   9.752  -3.583  -7.618
   50    HG2  ARG   6           2HG      ARG   6  11.628  -4.666  -6.575
   51    HG3  ARG   6           3HG      ARG   6  10.954  -4.365  -4.972
   52    HD2  ARG   6           2HD      ARG   6   9.262  -5.931  -5.251
   53    HD3  ARG   6           3HD      ARG   6   9.388  -5.896  -7.009
   54    HE   ARG   6           HE       ARG   6  11.781  -6.892  -6.241
   55   HH11  ARG   6          1HH1      ARG   6   8.488  -7.743  -5.498
   56   HH12  ARG   6          2HH1      ARG   6   8.837  -9.424  -5.269
   57   HH21  ARG   6          1HH2      ARG   6  12.253  -9.103  -5.942
   58   HH22  ARG   6          2HH2      ARG   6  10.978 -10.197  -5.521
   59    H    HIS   7           H        HIS   7   9.169  -0.069  -7.101
   60    HA   HIS   7           HA       HIS   7   9.742  -0.180  -9.903
   61    HB2  HIS   7           2HB      HIS   7   8.211   1.718  -8.145
   62    HB3  HIS   7           3HB      HIS   7   8.518   2.103  -9.836
   63    HD1  HIS   7           HD1      HIS   7   5.683   1.480  -8.485
   64    HD2  HIS   7           HD2      HIS   7   7.936  -1.092 -10.845
   65    HE1  HIS   7           HE1      HIS   7   4.042  -0.172  -9.434
   66    H    ALA   8           H        ALA   8  11.289   1.203  -7.211
   67    HA   ALA   8           HA       ALA   8  12.497   3.437  -8.524
   68    HB1  ALA   8           1HB      ALA   8  13.115   2.015  -5.945
   69    HB2  ALA   8           2HB      ALA   8  14.011   3.424  -6.513
   70    HB3  ALA   8           3HB      ALA   8  12.287   3.556  -6.165
   71    H    PHE   9           H        PHE   9  13.182   0.061  -8.324
   72    HA   PHE   9           HA       PHE   9  15.959   0.131  -8.837
   73    HB2  PHE   9           2HB      PHE   9  13.811  -1.931  -9.047
   74    HB3  PHE   9           3HB      PHE   9  15.348  -2.245  -9.846
   75    HD1  PHE   9           HD1      PHE   9  14.165  -0.939  -6.553
   76    HD2  PHE   9           HD2      PHE   9  16.856  -3.481  -8.654
   77    HE1  PHE   9           HE1      PHE   9  15.116  -1.695  -4.413
   78    HE2  PHE   9           HE2      PHE   9  17.810  -4.242  -6.518
   79    HZ   PHE   9           HZ       PHE   9  16.940  -3.350  -4.393
   80    H    ARG  10           H        ARG  10  13.199   0.609 -10.841
   81    HA   ARG  10           HA       ARG  10  14.519   0.026 -13.328
   82    HB2  ARG  10           2HB      ARG  10  11.848   0.952 -12.473
   83    HB3  ARG  10           3HB      ARG  10  12.374   1.520 -14.052
   84    HG2  ARG  10           2HG      ARG  10  12.886  -1.302 -13.734
   85    HG3  ARG  10           3HG      ARG  10  11.187  -0.916 -13.457
   86    HD2  ARG  10           2HD      ARG  10  11.160   0.313 -15.605
   87    HD3  ARG  10           3HD      ARG  10  12.827  -0.192 -15.882
   88    HE   ARG  10           HE       ARG  10  11.306  -2.481 -15.407
   89   HH11  ARG  10          1HH1      ARG  10  11.577   0.051 -17.782
   90   HH12  ARG  10          2HH1      ARG  10  11.032  -0.942 -19.093
   91   HH21  ARG  10          1HH2      ARG  10  10.588  -3.798 -17.126
   92   HH22  ARG  10          2HH2      ARG  10  10.469  -3.131 -18.719
   93    H    SER  11           H        SER  11  14.134   2.786 -11.266
   94    HA   SER  11           HA       SER  11  14.761   4.762 -13.233
   95    HB2  SER  11           2HB      SER  11  13.739   4.837 -10.683
   96    HB3  SER  11           3HB      SER  11  15.375   5.450 -10.445
   97    HG   SER  11           HG       SER  11  14.314   7.230 -11.015
   98    H    MET  12           H        MET  12  16.598   2.518 -11.446
   99    HA   MET  12           HA       MET  12  19.037   3.982 -11.290
  100    HB2  MET  12           2HB      MET  12  18.081   1.364 -10.549
  101    HB3  MET  12           3HB      MET  12  19.646   1.237 -11.341
  102    HG2  MET  12           2HG      MET  12  20.385   3.092  -9.733
  103    HG3  MET  12           3HG      MET  12  18.925   2.695  -8.830
  104    HE1  MET  12           3HE      MET  12  19.280  -0.645  -9.962
  105    HE2  MET  12           1HE      MET  12  19.654  -1.232  -8.341
  106    HE3  MET  12           2HE      MET  12  18.375  -0.040  -8.573
  107    H    PHE  13           H        PHE  13  17.423   2.304 -13.801
  108    HA   PHE  13           HA       PHE  13  19.812   1.837 -15.372
  109    HB2  PHE  13           2HB      PHE  13  16.962   1.116 -15.550
  110    HB3  PHE  13           3HB      PHE  13  17.737   1.433 -17.099
  111    HD1  PHE  13           HD1      PHE  13  19.023  -0.160 -13.987
  112    HD2  PHE  13           HD2      PHE  13  18.104  -0.598 -18.120
  113    HE1  PHE  13           HE1      PHE  13  19.993  -2.421 -13.960
  114    HE2  PHE  13           HE2      PHE  13  19.071  -2.860 -18.099
  115    HZ   PHE  13           HZ       PHE  13  20.016  -3.775 -16.017
  116    HA   PRO  14           HA       PRO  14  19.802   5.551 -17.713
  117    HB2  PRO  14           2HB      PRO  14  20.497   4.691 -20.188
  118    HB3  PRO  14           3HB      PRO  14  21.627   4.708 -18.829
  119    HG2  PRO  14           2HG      PRO  14  20.090   2.427 -19.989
  120    HG3  PRO  14           3HG      PRO  14  21.751   2.462 -19.369
  121    HD2  PRO  14           2HD      PRO  14  19.634   1.475 -17.987
  122    HD3  PRO  14           3HD      PRO  14  21.093   2.130 -17.216
  123    H    SER  15           H        SER  15  17.503   3.167 -18.305
  124    HA   SER  15           HA       SER  15  16.233   4.435 -20.567
  125    HB2  SER  15           2HB      SER  15  15.115   2.491 -20.768
  126    HB3  SER  15           3HB      SER  15  16.178   1.879 -19.501
  127    HG   SER  15           HG       SER  15  14.190   1.526 -18.710
  128    H    SER  16           H        SER  16  16.422   5.192 -17.376
  129    HA   SER  16           HA       SER  16  13.689   5.913 -16.870
  130    HB2  SER  16           2HB      SER  16  15.621   5.375 -15.174
  131    HB3  SER  16           3HB      SER  16  15.989   7.090 -15.348
  132    HG   SER  16           HG       SER  16  13.799   7.510 -14.747
  133    H    GLU  17           H        GLU  17  16.439   7.418 -18.331
  134    HA   GLU  17           HA       GLU  17  15.345  10.095 -18.135
  135    HB2  GLU  17           2HB      GLU  17  17.336  10.830 -19.224
  136    HB3  GLU  17           3HB      GLU  17  17.808   9.607 -18.053
  137    HG2  GLU  17           2HG      GLU  17  18.982   8.743 -19.738
  138    HG3  GLU  17           3HG      GLU  17  17.433   8.097 -20.277
  Start of MODEL    2
    1    H1   ARG   1           H        ARG   1   1.677   0.210   1.077
    2    HA   ARG   1           HA       ARG   1   2.563  -1.422  -0.268
    3    HB2  ARG   1           2HB      ARG   1   3.190  -0.440  -2.583
    4    HB3  ARG   1           3HB      ARG   1   1.532  -0.287  -2.017
    5    HG2  ARG   1           2HG      ARG   1   3.229   1.952  -1.239
    6    HG3  ARG   1           3HG      ARG   1   3.084   1.744  -2.985
    7    HD2  ARG   1           2HD      ARG   1   0.741   1.959  -2.921
    8    HD3  ARG   1           3HD      ARG   1   0.689   1.733  -1.173
    9    HE   ARG   1           HE       ARG   1   2.202   4.014  -1.687
   10   HH11  ARG   1          1HH1      ARG   1  -1.076   2.905  -2.060
   11   HH12  ARG   1          2HH1      ARG   1  -1.767   4.486  -1.909
   12   HH21  ARG   1          1HH2      ARG   1   1.305   6.102  -1.485
   13   HH22  ARG   1          2HH2      ARG   1  -0.411   6.304  -1.583
   14    H    SEP   2           H        SEP   2   4.380  -2.220   0.757
   15    HA   SEP   2           HA       SEP   2   6.926  -0.751   0.365
   16    HB2  SEP   2           2HB      SEP   2   5.900  -2.595   2.425
   17    HB3  SEP   2           3HB      SEP   2   7.380  -3.270   1.792
   18    H    LYS   3           H        LYS   3   5.115  -3.231  -1.030
   19    HA   LYS   3           HA       LYS   3   7.266  -4.672  -2.254
   20    HB2  LYS   3           2HB      LYS   3   5.602  -5.920  -3.371
   21    HB3  LYS   3           3HB      LYS   3   4.917  -5.545  -1.795
   22    HG2  LYS   3           2HG      LYS   3   3.795  -3.565  -2.941
   23    HG3  LYS   3           3HG      LYS   3   4.241  -4.347  -4.459
   24    HD2  LYS   3           2HD      LYS   3   2.708  -5.756  -2.285
   25    HD3  LYS   3           3HD      LYS   3   1.919  -4.849  -3.577
   26    HE2  LYS   3           2HE      LYS   3   3.952  -6.744  -4.502
   27    HE3  LYS   3           3HE      LYS   3   2.584  -7.497  -3.685
   28    HZ1  LYS   3           3HZ      LYS   3   1.990  -5.457  -5.687
   29    HZ2  LYS   3           1HZ      LYS   3   1.153  -6.877  -5.308
   30    HZ3  LYS   3           2HZ      LYS   3   2.554  -6.948  -6.252
   31    H    ASP   4           H        ASP   4   5.736  -1.705  -2.875
   32    HA   ASP   4           HA       ASP   4   6.209  -1.688  -5.723
   33    HB2  ASP   4           2HB      ASP   4   4.725  -0.106  -3.856
   34    HB3  ASP   4           3HB      ASP   4   5.808   0.951  -4.758
   35    H    LEU   5           H        LEU   5   7.975  -0.947  -2.881
   36    HA   LEU   5           HA       LEU   5   9.727   1.026  -3.840
   37    HB2  LEU   5           2HB      LEU   5   9.518  -0.707  -1.545
   38    HB3  LEU   5           3HB      LEU   5  11.193  -0.573  -2.077
   39    HG   LEU   5           HG       LEU   5  10.544   1.042  -0.297
   40   HD11  LEU   5          1HD1      LEU   5  12.446   1.545  -1.649
   41   HD12  LEU   5          2HD1      LEU   5  11.514   3.029  -1.450
   42   HD13  LEU   5          3HD1      LEU   5  11.425   2.128  -2.964
   43   HD21  LEU   5          3HD2      LEU   5   8.986   2.477  -2.426
   44   HD22  LEU   5          1HD2      LEU   5   9.052   2.807  -0.694
   45   HD23  LEU   5          2HD2      LEU   5   8.217   1.371  -1.287
   46    H    ARG   6           H        ARG   6   9.463  -2.298  -4.587
   47    HA   ARG   6           HA       ARG   6  12.186  -2.734  -5.354
   48    HB2  ARG   6           2HB      ARG   6   9.644  -4.241  -5.484
   49    HB3  ARG   6           3HB      ARG   6  10.835  -4.641  -6.713
   50    HG2  ARG   6           2HG      ARG   6  11.770  -5.996  -5.232
   51    HG3  ARG   6           3HG      ARG   6  12.279  -4.560  -4.342
   52    HD2  ARG   6           2HD      ARG   6  11.101  -5.466  -2.657
   53    HD3  ARG   6           3HD      ARG   6   9.709  -4.804  -3.512
   54    HE   ARG   6           HE       ARG   6  10.193  -7.321  -4.574
   55   HH11  ARG   6          1HH1      ARG   6   9.299  -5.931  -1.510
   56   HH12  ARG   6          2HH1      ARG   6   8.401  -7.320  -0.995
   57   HH21  ARG   6          1HH2      ARG   6   9.013  -9.155  -3.907
   58   HH22  ARG   6          2HH2      ARG   6   8.240  -9.154  -2.359
   59    H    HIS   7           H        HIS   7   9.540  -1.140  -6.773
   60    HA   HIS   7           HA       HIS   7  10.232  -1.571  -9.516
   61    HB2  HIS   7           2HB      HIS   7   8.042  -0.520  -8.175
   62    HB3  HIS   7           3HB      HIS   7   8.745   0.879  -8.981
   63    HD1  HIS   7           HD1      HIS   7   7.431   1.254 -11.038
   64    HD2  HIS   7           HD2      HIS   7   8.176  -2.783 -10.399
   65    HE1  HIS   7           HE1      HIS   7   6.474   0.069 -13.039
   66    H    ALA   8           H        ALA   8  11.512   0.347  -7.039
   67    HA   ALA   8           HA       ALA   8  12.427   2.542  -8.631
   68    HB1  ALA   8           1HB      ALA   8  13.695   3.195  -6.679
   69    HB2  ALA   8           2HB      ALA   8  12.068   2.715  -6.198
   70    HB3  ALA   8           3HB      ALA   8  13.423   1.618  -5.939
   71    H    PHE   9           H        PHE   9  13.335  -0.655  -8.499
   72    HA   PHE   9           HA       PHE   9  16.169  -0.391  -8.710
   73    HB2  PHE   9           2HB      PHE   9  14.235  -2.534  -8.665
   74    HB3  PHE   9           3HB      PHE   9  15.407  -2.795  -9.953
   75    HD1  PHE   9           HD2      PHE   9  17.925  -2.159  -9.113
   76    HD2  PHE   9           HD1      PHE   9  14.721  -3.558  -6.685
   77    HE1  PHE   9           HE2      PHE   9  19.546  -3.001  -7.465
   78    HE2  PHE   9           HE1      PHE   9  16.337  -4.402  -5.033
   79    HZ   PHE   9           HZ       PHE   9  18.753  -4.125  -5.422
   80    H    ARG  10           H        ARG  10  13.519  -0.205 -10.936
   81    HA   ARG  10           HA       ARG  10  15.161  -0.536 -13.288
   82    HB2  ARG  10           2HB      ARG  10  12.530  -0.936 -12.844
   83    HB3  ARG  10           3HB      ARG  10  12.474   0.684 -13.527
   84    HG2  ARG  10           2HG      ARG  10  14.178  -1.112 -15.047
   85    HG3  ARG  10           3HG      ARG  10  12.509  -1.675 -14.936
   86    HD2  ARG  10           2HD      ARG  10  12.667   1.171 -15.467
   87    HD3  ARG  10           3HD      ARG  10  13.510   0.225 -16.693
   88    HE   ARG  10           HE       ARG  10  11.132  -1.053 -16.419
   89   HH11  ARG  10          1HH1      ARG  10  12.045   2.247 -17.047
   90   HH12  ARG  10          2HH1      ARG  10  10.630   2.598 -17.982
   91   HH21  ARG  10          1HH2      ARG  10   9.264  -0.603 -17.648
   92   HH22  ARG  10          2HH2      ARG  10   9.048   0.976 -18.323
   93    H    SER  11           H        SER  11  14.441   1.984 -11.154
   94    HA   SER  11           HA       SER  11  14.531   4.162 -13.002
   95    HB2  SER  11           2HB      SER  11  13.460   4.281 -10.741
   96    HB3  SER  11           3HB      SER  11  15.071   4.223 -10.024
   97    HG   SER  11           HG       SER  11  15.502   6.203 -10.784
   98    H    MET  12           H        MET  12  16.886   2.204 -11.434
   99    HA   MET  12           HA       MET  12  19.058   4.026 -11.468
  100    HB2  MET  12           2HB      MET  12  18.608   1.331 -10.680
  101    HB3  MET  12           3HB      MET  12  19.992   1.344 -11.765
  102    HG2  MET  12           2HG      MET  12  21.301   2.150 -10.178
  103    HG3  MET  12           3HG      MET  12  20.204   3.499  -9.892
  104    HE1  MET  12           3HE      MET  12  22.190   1.867  -8.281
  105    HE2  MET  12           1HE      MET  12  21.452   2.207  -6.715
  106    HE3  MET  12           2HE      MET  12  21.584   0.543  -7.284
  107    H    PHE  13           H        PHE  13  17.525   2.134 -13.898
  108    HA   PHE  13           HA       PHE  13  19.785   2.207 -15.710
  109    HB2  PHE  13           2HB      PHE  13  17.111   0.945 -15.674
  110    HB3  PHE  13           3HB      PHE  13  17.715   1.402 -17.263
  111    HD1  PHE  13           HD1      PHE  13  18.924  -0.294 -14.167
  112    HD2  PHE  13           HD2      PHE  13  18.931  -0.157 -18.421
  113    HE1  PHE  13           HE1      PHE  13  20.295  -2.336 -14.227
  114    HE2  PHE  13           HE2      PHE  13  20.301  -2.199 -18.488
  115    HZ   PHE  13           HZ       PHE  13  20.984  -3.292 -16.389
  116    HA   PRO  14           HA       PRO  14  18.772   5.891 -17.874
  117    HB2  PRO  14           2HB      PRO  14  19.368   5.252 -20.439
  118    HB3  PRO  14           3HB      PRO  14  20.606   5.472 -19.197
  119    HG2  PRO  14           2HG      PRO  14  19.452   2.947 -20.297
  120    HG3  PRO  14           3HG      PRO  14  21.129   3.315 -19.852
  121    HD2  PRO  14           2HD      PRO  14  19.415   1.876 -18.310
  122    HD3  PRO  14           3HD      PRO  14  20.781   2.802 -17.655
  123    H    SER  15           H        SER  15  17.051   3.018 -18.533
  124    HA   SER  15           HA       SER  15  15.327   3.982 -20.580
  125    HB2  SER  15           2HB      SER  15  15.777   1.541 -19.913
  126    HB3  SER  15           3HB      SER  15  14.614   1.809 -18.614
  127    HG   SER  15           HG       SER  15  13.301   2.668 -20.557
  128    H    SER  16           H        SER  16  15.538   4.609 -17.258
  129    HA   SER  16           HA       SER  16  12.742   5.152 -16.823
  130    HB2  SER  16           2HB      SER  16  13.409   5.887 -14.619
  131    HB3  SER  16           3HB      SER  16  14.292   4.409 -15.002
  132    HG   SER  16           HG       SER  16  15.324   6.660 -14.235
  133    H    GLU  17           H        GLU  17  15.337   6.799 -18.241
  134    HA   GLU  17           HA       GLU  17  14.551   9.469 -17.573
  135    HB2  GLU  17           2HB      GLU  17  16.775   8.278 -18.760
  136    HB3  GLU  17           3HB      GLU  17  16.057   9.239 -20.045
  137    HG2  GLU  17           2HG      GLU  17  16.064  10.830 -17.713
  138    HG3  GLU  17           3HG      GLU  17  17.656  10.088 -17.853
  Start of MODEL    3
    1    H1   ARG   1           H        ARG   1   1.983   2.024  -1.480
    2    HA   ARG   1           HA       ARG   1   2.566   0.545   0.711
    3    HB2  ARG   1           2HB      ARG   1   2.223   0.006  -2.105
    4    HB3  ARG   1           3HB      ARG   1   3.420  -1.081  -1.412
    5    HG2  ARG   1           2HG      ARG   1   1.459  -2.251  -1.121
    6    HG3  ARG   1           3HG      ARG   1   1.651  -1.452   0.441
    7    HD2  ARG   1           2HD      ARG   1   0.137   0.340  -0.329
    8    HD3  ARG   1           3HD      ARG   1  -0.097  -0.538  -1.840
    9    HE   ARG   1           HE       ARG   1  -0.713  -2.247   0.291
   10   HH11  ARG   1          1HH1      ARG   1  -1.920   0.634  -1.247
   11   HH12  ARG   1          2HH1      ARG   1  -3.572   0.325  -0.823
   12   HH21  ARG   1          1HH2      ARG   1  -2.884  -2.664   0.856
   13   HH22  ARG   1          2HH2      ARG   1  -4.118  -1.551   0.374
   14    H    SEP   2           H        SEP   2   4.367  -1.168   0.953
   15    HA   SEP   2           HA       SEP   2   6.906   0.358   0.912
   16    HB2  SEP   2           2HB      SEP   2   7.703  -1.162   2.637
   17    HB3  SEP   2           3HB      SEP   2   6.013  -0.946   3.014
   18    H    LYS   3           H        LYS   3   5.271  -1.927  -0.915
   19    HA   LYS   3           HA       LYS   3   7.600  -3.180  -2.076
   20    HB2  LYS   3           2HB      LYS   3   6.121  -4.520  -3.279
   21    HB3  LYS   3           3HB      LYS   3   5.237  -4.197  -1.793
   22    HG2  LYS   3           2HG      LYS   3   4.093  -2.317  -3.023
   23    HG3  LYS   3           3HG      LYS   3   4.821  -2.956  -4.498
   24    HD2  LYS   3           2HD      LYS   3   3.704  -5.183  -3.295
   25    HD3  LYS   3           3HD      LYS   3   2.524  -3.905  -2.990
   26    HE2  LYS   3           2HE      LYS   3   1.996  -3.688  -5.182
   27    HE3  LYS   3           3HE      LYS   3   3.638  -4.033  -5.722
   28    HZ1  LYS   3           3HZ      LYS   3   2.431  -6.316  -4.525
   29    HZ2  LYS   3           1HZ      LYS   3   3.117  -6.148  -6.062
   30    HZ3  LYS   3           2HZ      LYS   3   1.495  -5.740  -5.811
   31    H    ASP   4           H        ASP   4   6.163  -0.212  -2.413
   32    HA   ASP   4           HA       ASP   4   6.315   0.137  -5.239
   33    HB2  ASP   4           2HB      ASP   4   5.538   1.706  -2.951
   34    HB3  ASP   4           3HB      ASP   4   6.585   2.655  -4.002
   35    H    LEU   5           H        LEU   5   8.625   0.134  -2.714
   36    HA   LEU   5           HA       LEU   5  10.555   1.891  -3.758
   37    HB2  LEU   5           2HB      LEU   5  10.323   0.133  -1.574
   38    HB3  LEU   5           3HB      LEU   5  11.783  -0.341  -2.440
   39    HG   LEU   5           HG       LEU   5  11.302   2.510  -1.634
   40   HD11  LEU   5          1HD1      LEU   5  11.791   2.145   0.507
   41   HD12  LEU   5          2HD1      LEU   5  13.086   1.018   0.104
   42   HD13  LEU   5          3HD1      LEU   5  11.419   0.449   0.194
   43   HD21  LEU   5          3HD2      LEU   5  13.948   1.153  -1.790
   44   HD22  LEU   5          1HD2      LEU   5  13.520   2.835  -2.102
   45   HD23  LEU   5          2HD2      LEU   5  13.125   1.591  -3.288
   46    H    ARG   6           H        ARG   6   9.521  -1.193  -4.797
   47    HA   ARG   6           HA       ARG   6  11.947  -1.997  -6.085
   48    HB2  ARG   6           2HB      ARG   6   9.176  -2.998  -5.891
   49    HB3  ARG   6           3HB      ARG   6  10.021  -3.408  -7.378
   50    HG2  ARG   6           2HG      ARG   6  11.845  -3.938  -5.338
   51    HG3  ARG   6           3HG      ARG   6  10.292  -4.529  -4.743
   52    HD2  ARG   6           2HD      ARG   6  11.052  -5.168  -7.543
   53    HD3  ARG   6           3HD      ARG   6  11.885  -6.023  -6.246
   54    HE   ARG   6           HE       ARG   6   9.202  -6.429  -7.115
   55   HH11  ARG   6          1HH1      ARG   6  11.287  -6.527  -4.329
   56   HH12  ARG   6          2HH1      ARG   6  10.326  -7.698  -3.488
   57   HH21  ARG   6          1HH2      ARG   6   7.928  -7.971  -6.019
   58   HH22  ARG   6          2HH2      ARG   6   8.416  -8.520  -4.451
   59    H    HIS   7           H        HIS   7   9.471   0.217  -6.827
   60    HA   HIS   7           HA       HIS   7   9.618   0.062  -9.677
   61    HB2  HIS   7           2HB      HIS   7   7.792   1.121  -8.071
   62    HB3  HIS   7           3HB      HIS   7   8.764   2.571  -8.302
   63    HD1  HIS   7           HD1      HIS   7   5.908   1.031  -9.649
   64    HD2  HIS   7           HD2      HIS   7   9.224   2.889 -11.327
   65    HE1  HIS   7           HE1      HIS   7   5.210   1.678 -11.976
   66    H    ALA   8           H        ALA   8  11.626   1.385  -7.278
   67    HA   ALA   8           HA       ALA   8  12.725   3.545  -8.798
   68    HB1  ALA   8           1HB      ALA   8  13.878   2.118  -6.403
   69    HB2  ALA   8           2HB      ALA   8  14.398   3.678  -7.043
   70    HB3  ALA   8           3HB      ALA   8  12.788   3.504  -6.344
   71    H    PHE   9           H        PHE   9  13.195   0.151  -8.745
   72    HA   PHE   9           HA       PHE   9  15.871  -0.068  -9.518
   73    HB2  PHE   9           2HB      PHE   9  13.652  -1.804  -9.235
   74    HB3  PHE   9           3HB      PHE   9  14.302  -2.066 -10.850
   75    HD1  PHE   9           HD2      PHE   9  15.391  -1.786  -7.301
   76    HD2  PHE   9           HD1      PHE   9  16.080  -3.506 -11.133
   77    HE1  PHE   9           HE2      PHE   9  17.176  -3.185  -6.348
   78    HE2  PHE   9           HE1      PHE   9  17.866  -4.908 -10.186
   79    HZ   PHE   9           HZ       PHE   9  18.417  -4.748  -7.791
   80    H    ARG  10           H        ARG  10  13.013   0.760 -11.341
   81    HA   ARG  10           HA       ARG  10  14.256   0.451 -13.913
   82    HB2  ARG  10           2HB      ARG  10  11.660   0.601 -13.057
   83    HB3  ARG  10           3HB      ARG  10  11.903   2.203 -13.741
   84    HG2  ARG  10           2HG      ARG  10  12.034   1.431 -15.857
   85    HG3  ARG  10           3HG      ARG  10  12.837  -0.065 -15.377
   86    HD2  ARG  10           2HD      ARG  10   9.986   0.372 -14.617
   87    HD3  ARG  10           3HD      ARG  10  10.373  -0.091 -16.274
   88    HE   ARG  10           HE       ARG  10  11.707  -1.827 -14.530
   89   HH11  ARG  10          1HH1      ARG  10   8.469  -1.040 -15.536
   90   HH12  ARG  10          2HH1      ARG  10   7.851  -2.632 -15.242
   91   HH21  ARG  10          1HH2      ARG  10  10.906  -3.927 -14.139
   92   HH22  ARG  10          2HH2      ARG  10   9.238  -4.273 -14.447
   93    H    SER  11           H        SER  11  13.764   3.047 -11.618
   94    HA   SER  11           HA       SER  11  14.513   5.149 -13.408
   95    HB2  SER  11           2HB      SER  11  13.532   4.932 -10.722
   96    HB3  SER  11           3HB      SER  11  14.960   5.966 -10.730
   97    HG   SER  11           HG       SER  11  13.879   7.441 -11.772
   98    H    MET  12           H        MET  12  16.211   2.903 -11.414
   99    HA   MET  12           HA       MET  12  18.634   4.403 -11.181
  100    HB2  MET  12           2HB      MET  12  17.903   2.528  -9.653
  101    HB3  MET  12           3HB      MET  12  18.315   1.410 -10.946
  102    HG2  MET  12           2HG      MET  12  20.623   2.638 -10.860
  103    HG3  MET  12           3HG      MET  12  20.093   3.073  -9.236
  104    HE1  MET  12           3HE      MET  12  20.390   1.028  -7.076
  105    HE2  MET  12           1HE      MET  12  18.837   1.353  -7.847
  106    HE3  MET  12           2HE      MET  12  19.376  -0.311  -7.617
  107    H    PHE  13           H        PHE  13  17.269   2.260 -13.548
  108    HA   PHE  13           HA       PHE  13  19.771   1.820 -14.923
  109    HB2  PHE  13           2HB      PHE  13  16.966   0.912 -15.229
  110    HB3  PHE  13           3HB      PHE  13  17.924   0.994 -16.704
  111    HD1  PHE  13           HD2      PHE  13  18.543  -0.100 -13.187
  112    HD2  PHE  13           HD1      PHE  13  18.775  -1.030 -17.334
  113    HE1  PHE  13           HE2      PHE  13  19.562  -2.272 -12.639
  114    HE2  PHE  13           HE1      PHE  13  19.793  -3.204 -16.793
  115    HZ   PHE  13           HZ       PHE  13  20.189  -3.827 -14.443
  116    HA   PRO  14           HA       PRO  14  19.653   5.193 -17.732
  117    HB2  PRO  14           2HB      PRO  14  20.567   4.081 -20.028
  118    HB3  PRO  14           3HB      PRO  14  21.603   4.358 -18.623
  119    HG2  PRO  14           2HG      PRO  14  20.298   1.835 -19.547
  120    HG3  PRO  14           3HG      PRO  14  21.917   2.077 -18.867
  121    HD2  PRO  14           2HD      PRO  14  19.790   1.114 -17.473
  122    HD3  PRO  14           3HD      PRO  14  21.146   1.974 -16.716
  123    H    SER  15           H        SER  15  17.583   2.566 -18.147
  124    HA   SER  15           HA       SER  15  16.411   3.237 -20.650
  125    HB2  SER  15           2HB      SER  15  15.975   1.282 -18.542
  126    HB3  SER  15           3HB      SER  15  14.452   1.907 -19.175
  127    HG   SER  15           HG       SER  15  16.525   1.046 -20.889
  128    H    SER  16           H        SER  16  16.250   4.660 -17.587
  129    HA   SER  16           HA       SER  16  13.575   5.694 -17.784
  130    HB2  SER  16           2HB      SER  16  14.728   5.294 -15.604
  131    HB3  SER  16           3HB      SER  16  15.827   6.620 -15.985
  132    HG   SER  16           HG       SER  16  14.271   8.036 -15.630
  133    H    GLU  17           H        GLU  17  16.626   6.562 -19.039
  134    HA   GLU  17           HA       GLU  17  16.131   9.378 -19.284
  135    HB2  GLU  17           2HB      GLU  17  18.156   7.617 -20.677
  136    HB3  GLU  17           3HB      GLU  17  18.144   9.375 -20.713
  137    HG2  GLU  17           2HG      GLU  17  18.597   7.610 -18.321
  138    HG3  GLU  17           3HG      GLU  17  19.776   8.642 -19.129
  Start of MODEL    4
    1    H1   ARG   1           H        ARG   1   2.551  -1.016   2.394
    2    HA   ARG   1           HA       ARG   1   2.889  -2.300   0.532
    3    HB2  ARG   1           2HB      ARG   1   2.954  -0.853  -1.722
    4    HB3  ARG   1           3HB      ARG   1   1.453  -1.359  -0.959
    5    HG2  ARG   1           2HG      ARG   1   0.969   0.747  -0.192
    6    HG3  ARG   1           3HG      ARG   1   2.661   1.246  -0.175
    7    HD2  ARG   1           2HD      ARG   1   2.697   1.413  -2.568
    8    HD3  ARG   1           3HD      ARG   1   1.083   0.714  -2.685
    9    HE   ARG   1           HE       ARG   1   0.738   2.935  -1.147
   10   HH11  ARG   1          1HH1      ARG   1   2.105   2.325  -4.290
   11   HH12  ARG   1          2HH1      ARG   1   1.686   3.883  -4.920
   12   HH21  ARG   1          1HH2      ARG   1   0.180   4.990  -1.964
   13   HH22  ARG   1          2HH2      ARG   1   0.591   5.399  -3.595
   14    H    SEP   2           H        SEP   2   4.996  -2.785   1.230
   15    HA   SEP   2           HA       SEP   2   7.161  -0.954   0.396
   16    HB2  SEP   2           2HB      SEP   2   6.964  -2.505   2.656
   17    HB3  SEP   2           3HB      SEP   2   7.770  -3.686   1.656
   18    H    LYS   3           H        LYS   3   5.316  -3.203  -1.047
   19    HA   LYS   3           HA       LYS   3   7.268  -4.560  -2.645
   20    HB2  LYS   3           2HB      LYS   3   5.502  -5.694  -3.583
   21    HB3  LYS   3           3HB      LYS   3   4.779  -5.200  -2.058
   22    HG2  LYS   3           2HG      LYS   3   3.805  -3.234  -3.238
   23    HG3  LYS   3           3HG      LYS   3   4.402  -3.917  -4.753
   24    HD2  LYS   3           2HD      LYS   3   2.959  -5.748  -4.633
   25    HD3  LYS   3           3HD      LYS   3   2.673  -5.528  -2.905
   26    HE2  LYS   3           2HE      LYS   3   1.286  -3.658  -3.272
   27    HE3  LYS   3           3HE      LYS   3   1.820  -3.491  -4.944
   28    HZ1  LYS   3           3HZ      LYS   3   0.767  -6.025  -4.756
   29    HZ2  LYS   3           1HZ      LYS   3   0.055  -4.684  -5.503
   30    HZ3  LYS   3           2HZ      LYS   3  -0.309  -5.047  -3.891
   31    H    ASP   4           H        ASP   4   5.511  -1.574  -2.866
   32    HA   ASP   4           HA       ASP   4   5.892  -1.166  -5.666
   33    HB2  ASP   4           2HB      ASP   4   4.648   0.236  -3.463
   34    HB3  ASP   4           3HB      ASP   4   5.593   1.346  -4.452
   35    H    LEU   5           H        LEU   5   7.874  -0.797  -2.894
   36    HA   LEU   5           HA       LEU   5   9.585   1.264  -3.745
   37    HB2  LEU   5           2HB      LEU   5   9.506  -0.713  -1.646
   38    HB3  LEU   5           3HB      LEU   5  11.142  -0.531  -2.275
   39    HG   LEU   5           HG       LEU   5  10.575   0.879  -0.271
   40   HD11  LEU   5          1HD1      LEU   5  12.387   1.890  -1.071
   41   HD12  LEU   5          2HD1      LEU   5  11.296   3.042  -1.840
   42   HD13  LEU   5          3HD1      LEU   5  11.880   1.643  -2.742
   43   HD21  LEU   5          3HD2      LEU   5   9.122   2.695  -2.146
   44   HD22  LEU   5          1HD2      LEU   5   9.093   2.642  -0.383
   45   HD23  LEU   5          2HD2      LEU   5   8.249   1.405  -1.316
   46    H    ARG   6           H        ARG   6   9.205  -1.942  -4.849
   47    HA   ARG   6           HA       ARG   6  11.863  -2.328  -5.837
   48    HB2  ARG   6           2HB      ARG   6   9.242  -3.718  -6.380
   49    HB3  ARG   6           3HB      ARG   6  10.742  -4.182  -7.172
   50    HG2  ARG   6           2HG      ARG   6  10.540  -4.055  -4.187
   51    HG3  ARG   6           3HG      ARG   6  10.012  -5.477  -5.088
   52    HD2  ARG   6           2HD      ARG   6  12.717  -4.324  -5.603
   53    HD3  ARG   6           3HD      ARG   6  12.456  -5.319  -4.171
   54    HE   ARG   6           HE       ARG   6  12.579  -6.207  -6.899
   55   HH11  ARG   6          1HH1      ARG   6  11.357  -6.912  -3.716
   56   HH12  ARG   6          2HH1      ARG   6  11.233  -8.617  -3.999
   57   HH21  ARG   6          1HH2      ARG   6  12.421  -8.450  -7.283
   58   HH22  ARG   6          2HH2      ARG   6  11.840  -9.491  -6.028
   59    H    HIS   7           H        HIS   7   9.205  -0.498  -6.866
   60    HA   HIS   7           HA       HIS   7   9.635  -0.636  -9.684
   61    HB2  HIS   7           2HB      HIS   7   8.113   1.263  -7.908
   62    HB3  HIS   7           3HB      HIS   7   8.239   1.517  -9.647
   63    HD1  HIS   7           HD1      HIS   7   7.463  -1.606  -7.603
   64    HD2  HIS   7           HD2      HIS   7   5.914   0.668 -10.715
   65    HE1  HIS   7           HE1      HIS   7   5.389  -2.815  -8.351
   66    H    ALA   8           H        ALA   8  11.267   0.905  -7.144
   67    HA   ALA   8           HA       ALA   8  12.227   3.183  -8.586
   68    HB1  ALA   8           1HB      ALA   8  12.053   2.960  -6.068
   69    HB2  ALA   8           2HB      ALA   8  13.511   1.971  -6.154
   70    HB3  ALA   8           3HB      ALA   8  13.552   3.649  -6.693
   71    H    PHE   9           H        PHE   9  13.029  -0.123  -8.554
   72    HA   PHE   9           HA       PHE   9  15.796   0.001  -9.085
   73    HB2  PHE   9           2HB      PHE   9  13.940  -2.015  -8.715
   74    HB3  PHE   9           3HB      PHE   9  14.408  -2.208 -10.402
   75    HD1  PHE   9           HD1      PHE   9  15.941  -1.702  -7.042
   76    HD2  PHE   9           HD2      PHE   9  16.253  -3.487 -10.893
   77    HE1  PHE   9           HE1      PHE   9  17.991  -2.864  -6.334
   78    HE2  PHE   9           HE2      PHE   9  18.302  -4.652 -10.191
   79    HZ   PHE   9           HZ       PHE   9  19.174  -4.342  -7.909
   80    H    ARG  10           H        ARG  10  12.988   0.468 -11.077
   81    HA   ARG  10           HA       ARG  10  14.392   0.208 -13.575
   82    HB2  ARG  10           2HB      ARG  10  11.649   0.576 -12.703
   83    HB3  ARG  10           3HB      ARG  10  12.042   1.637 -14.050
   84    HG2  ARG  10           2HG      ARG  10  13.084  -0.927 -14.646
   85    HG3  ARG  10           3HG      ARG  10  11.422  -1.131 -14.087
   86    HD2  ARG  10           2HD      ARG  10  12.158   0.937 -16.134
   87    HD3  ARG  10           3HD      ARG  10  11.808  -0.730 -16.589
   88    HE   ARG  10           HE       ARG  10   9.920   1.276 -15.853
   89   HH11  ARG  10          1HH1      ARG  10  10.551  -2.146 -15.754
   90   HH12  ARG  10          2HH1      ARG  10   8.876  -2.586 -15.695
   91   HH21  ARG  10          1HH2      ARG  10   7.712   0.710 -15.776
   92   HH22  ARG  10          2HH2      ARG  10   7.262  -0.960 -15.708
   93    H    SER  11           H        SER  11  13.692   2.747 -11.319
   94    HA   SER  11           HA       SER  11  14.133   4.928 -13.105
   95    HB2  SER  11           2HB      SER  11  14.587   5.215 -10.166
   96    HB3  SER  11           3HB      SER  11  13.766   6.302 -11.286
   97    HG   SER  11           HG       SER  11  11.951   5.266 -10.968
   98    H    MET  12           H        MET  12  16.163   2.977 -11.027
   99    HA   MET  12           HA       MET  12  18.452   4.686 -11.195
  100    HB2  MET  12           2HB      MET  12  17.753   2.642  -9.551
  101    HB3  MET  12           3HB      MET  12  18.878   1.821 -10.624
  102    HG2  MET  12           2HG      MET  12  20.564   2.643  -9.464
  103    HG3  MET  12           3HG      MET  12  20.066   4.273  -9.910
  104    HE1  MET  12           3HE      MET  12  21.359   3.066  -6.647
  105    HE2  MET  12           1HE      MET  12  19.968   2.228  -5.956
  106    HE3  MET  12           2HE      MET  12  20.629   1.709  -7.507
  107    H    PHE  13           H        PHE  13  16.970   2.611 -13.372
  108    HA   PHE  13           HA       PHE  13  19.389   1.762 -14.721
  109    HB2  PHE  13           2HB      PHE  13  16.542   1.106 -14.847
  110    HB3  PHE  13           3HB      PHE  13  17.292   1.220 -16.436
  111    HD1  PHE  13           HD2      PHE  13  18.842   0.067 -13.272
  112    HD2  PHE  13           HD1      PHE  13  17.371  -1.008 -17.119
  113    HE1  PHE  13           HE2      PHE  13  19.771  -2.194 -12.992
  114    HE2  PHE  13           HE1      PHE  13  18.296  -3.271 -16.845
  115    HZ   PHE  13           HZ       PHE  13  19.499  -3.866 -14.780
  116    HA   PRO  14           HA       PRO  14  19.682   5.011 -17.660
  117    HB2  PRO  14           2HB      PRO  14  20.424   3.702 -19.915
  118    HB3  PRO  14           3HB      PRO  14  21.499   3.897 -18.526
  119    HG2  PRO  14           2HG      PRO  14  19.874   1.530 -19.347
  120    HG3  PRO  14           3HG      PRO  14  21.515   1.588 -18.678
  121    HD2  PRO  14           2HD      PRO  14  19.294   0.962 -17.242
  122    HD3  PRO  14           3HD      PRO  14  20.756   1.667 -16.524
  123    H    SER  15           H        SER  15  17.353   2.561 -18.075
  124    HA   SER  15           HA       SER  15  16.225   3.546 -20.529
  125    HB2  SER  15           2HB      SER  15  15.698   1.339 -18.657
  126    HB3  SER  15           3HB      SER  15  14.249   2.021 -19.397
  127    HG   SER  15           HG       SER  15  15.537   1.792 -21.438
  128    H    SER  16           H        SER  16  16.267   4.742 -17.460
  129    HA   SER  16           HA       SER  16  13.537   5.673 -17.323
  130    HB2  SER  16           2HB      SER  16  15.049   5.121 -15.324
  131    HB3  SER  16           3HB      SER  16  15.827   6.672 -15.635
  132    HG   SER  16           HG       SER  16  13.812   7.674 -15.335
  133    H    GLU  17           H        GLU  17  16.509   6.757 -18.657
  134    HA   GLU  17           HA       GLU  17  15.785   9.552 -18.716
  135    HB2  GLU  17           2HB      GLU  17  18.170   8.155 -18.919
  136    HB3  GLU  17           3HB      GLU  17  17.896   8.737 -20.555
  137    HG2  GLU  17           2HG      GLU  17  19.220  10.341 -19.395
  138    HG3  GLU  17           3HG      GLU  17  17.613  11.023 -19.642
  Start of MODEL    5
    1    H1   ARG   1           H        ARG   1   3.491   3.100  -0.523
    2    HA   ARG   1           HA       ARG   1   3.279   1.299   0.946
    3    HB2  ARG   1           2HB      ARG   1   2.139   0.182  -1.454
    4    HB3  ARG   1           3HB      ARG   1   3.213  -0.986  -0.696
    5    HG2  ARG   1           2HG      ARG   1   1.817  -0.083   1.449
    6    HG3  ARG   1           3HG      ARG   1   0.604   0.020   0.171
    7    HD2  ARG   1           2HD      ARG   1   0.753  -2.276  -0.302
    8    HD3  ARG   1           3HD      ARG   1   2.273  -2.443   0.575
    9    HE   ARG   1           HE       ARG   1   1.074  -2.766   2.490
   10   HH11  ARG   1          1HH1      ARG   1  -0.982  -1.247   0.126
   11   HH12  ARG   1          2HH1      ARG   1  -2.410  -1.366   1.100
   12   HH21  ARG   1          1HH2      ARG   1  -0.799  -2.929   3.781
   13   HH22  ARG   1          2HH2      ARG   1  -2.304  -2.322   3.179
   14    H    SEP   2           H        SEP   2   4.575  -0.971   1.139
   15    HA   SEP   2           HA       SEP   2   7.351  -0.157   0.596
   16    HB2  SEP   2           2HB      SEP   2   6.030  -1.820   2.615
   17    HB3  SEP   2           3HB      SEP   2   7.210  -2.835   1.825
   18    H    LYS   3           H        LYS   3   4.968  -2.213  -0.732
   19    HA   LYS   3           HA       LYS   3   6.728  -3.890  -2.240
   20    HB2  LYS   3           2HB      LYS   3   4.855  -5.044  -2.626
   21    HB3  LYS   3           3HB      LYS   3   4.000  -3.864  -1.641
   22    HG2  LYS   3           2HG      LYS   3   3.628  -2.511  -3.693
   23    HG3  LYS   3           3HG      LYS   3   4.343  -3.825  -4.631
   24    HD2  LYS   3           2HD      LYS   3   2.604  -5.330  -3.975
   25    HD3  LYS   3           3HD      LYS   3   1.966  -4.169  -2.808
   26    HE2  LYS   3           2HE      LYS   3   2.142  -3.468  -5.713
   27    HE3  LYS   3           3HE      LYS   3   0.800  -4.439  -5.110
   28    HZ1  LYS   3           3HZ      LYS   3   0.031  -2.709  -3.801
   29    HZ2  LYS   3           1HZ      LYS   3   0.533  -1.908  -5.204
   30    HZ3  LYS   3           2HZ      LYS   3   1.506  -1.882  -3.821
   31    H    ASP   4           H        ASP   4   5.194  -0.801  -2.740
   32    HA   ASP   4           HA       ASP   4   5.646  -0.714  -5.569
   33    HB2  ASP   4           2HB      ASP   4   4.341   0.920  -3.588
   34    HB3  ASP   4           3HB      ASP   4   5.389   1.918  -4.592
   35    H    LEU   5           H        LEU   5   7.556  -0.148  -2.789
   36    HA   LEU   5           HA       LEU   5   9.353   1.783  -3.760
   37    HB2  LEU   5           2HB      LEU   5   9.093   0.118  -1.471
   38    HB3  LEU   5           3HB      LEU   5  10.738  -0.044  -2.084
   39    HG   LEU   5           HG       LEU   5  10.513   1.672  -0.322
   40   HD11  LEU   5          1HD1      LEU   5  11.493   2.243  -3.058
   41   HD12  LEU   5          2HD1      LEU   5  12.371   2.157  -1.531
   42   HD13  LEU   5          3HD1      LEU   5  11.422   3.591  -1.922
   43   HD21  LEU   5          3HD2      LEU   5   8.160   2.319  -1.344
   44   HD22  LEU   5          1HD2      LEU   5   9.139   3.492  -2.226
   45   HD23  LEU   5          2HD2      LEU   5   9.143   3.490  -0.462
   46    H    ARG   6           H        ARG   6   8.911  -1.502  -4.587
   47    HA   ARG   6           HA       ARG   6  11.579  -2.041  -5.467
   48    HB2  ARG   6           2HB      ARG   6   9.601  -3.675  -4.859
   49    HB3  ARG   6           3HB      ARG   6   9.213  -3.500  -6.565
   50    HG2  ARG   6           2HG      ARG   6  11.731  -4.086  -6.908
   51    HG3  ARG   6           3HG      ARG   6  11.589  -4.758  -5.282
   52    HD2  ARG   6           2HD      ARG   6   9.812  -6.219  -5.985
   53    HD3  ARG   6           3HD      ARG   6   9.767  -5.462  -7.577
   54    HE   ARG   6           HE       ARG   6  11.529  -6.776  -8.204
   55   HH11  ARG   6          1HH1      ARG   6  11.320  -6.750  -4.729
   56   HH12  ARG   6          2HH1      ARG   6  12.541  -7.960  -4.516
   57   HH21  ARG   6          1HH2      ARG   6  13.138  -8.370  -7.937
   58   HH22  ARG   6          2HH2      ARG   6  13.575  -8.880  -6.342
   59    H    HIS   7           H        HIS   7   9.003  -0.236  -6.726
   60    HA   HIS   7           HA       HIS   7   9.544  -0.626  -9.510
   61    HB2  HIS   7           2HB      HIS   7   7.352   0.181  -8.479
   62    HB3  HIS   7           3HB      HIS   7   8.135   1.747  -8.292
   63    HD1  HIS   7           HD1      HIS   7   7.251  -0.711 -11.047
   64    HD2  HIS   7           HD2      HIS   7   7.976   3.341 -10.488
   65    HE1  HIS   7           HE1      HIS   7   6.736   0.375 -13.256
   66    H    ALA   8           H        ALA   8  11.035   1.146  -7.029
   67    HA   ALA   8           HA       ALA   8  12.055   3.299  -8.614
   68    HB1  ALA   8           1HB      ALA   8  13.456   2.463  -6.136
   69    HB2  ALA   8           2HB      ALA   8  13.008   4.074  -6.698
   70    HB3  ALA   8           3HB      ALA   8  11.787   3.015  -5.991
   71    H    PHE   9           H        PHE   9  12.745   0.045  -8.551
   72    HA   PHE   9           HA       PHE   9  15.587   0.146  -8.866
   73    HB2  PHE   9           2HB      PHE   9  13.479  -1.947  -9.091
   74    HB3  PHE   9           3HB      PHE   9  15.019  -2.247  -9.891
   75    HD1  PHE   9           HD2      PHE   9  17.141  -1.971  -8.449
   76    HD2  PHE   9           HD1      PHE   9  13.225  -2.432  -6.846
   77    HE1  PHE   9           HE2      PHE   9  18.107  -2.711  -6.311
   78    HE2  PHE   9           HE1      PHE   9  14.185  -3.172  -4.705
   79    HZ   PHE   9           HZ       PHE   9  16.629  -3.313  -4.436
   80    H    ARG  10           H        ARG  10  12.890   0.617 -10.938
   81    HA   ARG  10           HA       ARG  10  14.277   0.020 -13.389
   82    HB2  ARG  10           2HB      ARG  10  11.617   0.300 -12.664
   83    HB3  ARG  10           3HB      ARG  10  11.928   1.731 -13.638
   84    HG2  ARG  10           2HG      ARG  10  12.962   0.068 -15.325
   85    HG3  ARG  10           3HG      ARG  10  12.060  -1.149 -14.419
   86    HD2  ARG  10           2HD      ARG  10  10.187  -0.590 -15.472
   87    HD3  ARG  10           3HD      ARG  10  10.357   1.082 -14.939
   88    HE   ARG  10           HE       ARG  10  11.000   1.615 -17.056
   89   HH11  ARG  10          1HH1      ARG  10  11.576  -1.782 -16.555
   90   HH12  ARG  10          2HH1      ARG  10  12.082  -2.070 -18.186
   91   HH21  ARG  10          1HH2      ARG  10  11.665   1.249 -19.207
   92   HH22  ARG  10          2HH2      ARG  10  12.134  -0.345 -19.694
   93    H    SER  11           H        SER  11  13.695   2.825 -11.401
   94    HA   SER  11           HA       SER  11  14.363   4.794 -13.330
   95    HB2  SER  11           2HB      SER  11  13.508   6.042 -11.674
   96    HB3  SER  11           3HB      SER  11  13.675   4.716 -10.524
   97    HG   SER  11           HG       SER  11  15.365   6.865 -11.027
   98    H    MET  12           H        MET  12  16.235   2.764 -11.210
   99    HA   MET  12           HA       MET  12  18.656   4.251 -11.344
  100    HB2  MET  12           2HB      MET  12  17.757   2.073  -9.902
  101    HB3  MET  12           3HB      MET  12  18.971   1.371 -10.963
  102    HG2  MET  12           2HG      MET  12  20.522   3.209 -10.175
  103    HG3  MET  12           3HG      MET  12  19.319   3.552  -8.934
  104    HE1  MET  12           3HE      MET  12  21.220   0.429 -10.525
  105    HE2  MET  12           1HE      MET  12  22.372   1.610  -9.901
  106    HE3  MET  12           2HE      MET  12  22.220   0.033  -9.126
  107    H    PHE  13           H        PHE  13  17.035   2.219 -13.546
  108    HA   PHE  13           HA       PHE  13  19.373   1.357 -14.989
  109    HB2  PHE  13           2HB      PHE  13  16.517   0.834 -15.064
  110    HB3  PHE  13           3HB      PHE  13  17.172   1.072 -16.680
  111    HD1  PHE  13           HD1      PHE  13  18.738  -0.470 -13.681
  112    HD2  PHE  13           HD2      PHE  13  17.251  -1.036 -17.629
  113    HE1  PHE  13           HE1      PHE  13  19.592  -2.777 -13.669
  114    HE2  PHE  13           HE2      PHE  13  18.102  -3.345 -17.623
  115    HZ   PHE  13           HZ       PHE  13  19.274  -4.218 -15.641
  116    HA   PRO  14           HA       PRO  14  19.849   4.709 -17.784
  117    HB2  PRO  14           2HB      PRO  14  20.488   3.459 -20.102
  118    HB3  PRO  14           3HB      PRO  14  21.585   3.523 -18.717
  119    HG2  PRO  14           2HG      PRO  14  19.802   1.303 -19.623
  120    HG3  PRO  14           3HG      PRO  14  21.451   1.226 -18.976
  121    HD2  PRO  14           2HD      PRO  14  19.206   0.678 -17.542
  122    HD3  PRO  14           3HD      PRO  14  20.716   1.257 -16.809
  123    H    SER  15           H        SER  15  17.306   2.532 -18.164
  124    HA   SER  15           HA       SER  15  16.236   3.442 -20.640
  125    HB2  SER  15           2HB      SER  15  15.656   1.388 -18.851
  126    HB3  SER  15           3HB      SER  15  14.239   2.435 -18.776
  127    HG   SER  15           HG       SER  15  14.039   0.891 -20.437
  128    H    SER  16           H        SER  16  16.414   4.835 -17.569
  129    HA   SER  16           HA       SER  16  13.981   6.386 -17.772
  130    HB2  SER  16           2HB      SER  16  14.827   5.672 -15.568
  131    HB3  SER  16           3HB      SER  16  16.289   6.625 -15.825
  132    HG   SER  16           HG       SER  16  14.935   7.904 -14.658
  133    H    GLU  17           H        GLU  17  17.304   6.697 -18.658
  134    HA   GLU  17           HA       GLU  17  17.260   9.567 -18.897
  135    HB2  GLU  17           2HB      GLU  17  19.472   9.295 -18.904
  136    HB3  GLU  17           3HB      GLU  17  19.242   7.552 -18.876
  137    HG2  GLU  17           2HG      GLU  17  19.170   7.529 -21.323
  138    HG3  GLU  17           3HG      GLU  17  19.431   9.272 -21.339
  Start of MODEL    6
    1    H1   ARG   1           H        ARG   1   2.776   2.882   1.088
    2    HA   ARG   1           HA       ARG   1   2.775   0.563   1.394
    3    HB2  ARG   1           2HB      ARG   1   2.476  -0.959  -0.524
    4    HB3  ARG   1           3HB      ARG   1   1.149   0.185  -0.372
    5    HG2  ARG   1           2HG      ARG   1   3.027   1.392  -2.071
    6    HG3  ARG   1           3HG      ARG   1   2.889  -0.289  -2.591
    7    HD2  ARG   1           2HD      ARG   1   0.353   1.082  -1.975
    8    HD3  ARG   1           3HD      ARG   1   1.224   1.679  -3.387
    9    HE   ARG   1           HE       ARG   1   0.997  -1.169  -3.371
   10   HH11  ARG   1          1HH1      ARG   1  -0.686   1.786  -4.117
   11   HH12  ARG   1          2HH1      ARG   1  -1.724   1.052  -5.293
   12   HH21  ARG   1          1HH2      ARG   1  -0.364  -2.148  -4.918
   13   HH22  ARG   1          2HH2      ARG   1  -1.540  -1.186  -5.748
   14    H    SEP   2           H        SEP   2   4.489  -0.993   1.302
   15    HA   SEP   2           HA       SEP   2   7.007   0.282   0.391
   16    HB2  SEP   2           2HB      SEP   2   8.019  -1.845   1.701
   17    HB3  SEP   2           3HB      SEP   2   7.341  -0.521   2.612
   18    H    LYS   3           H        LYS   3   4.707  -1.629  -0.883
   19    HA   LYS   3           HA       LYS   3   6.286  -3.516  -2.337
   20    HB2  LYS   3           2HB      LYS   3   3.474  -2.818  -2.086
   21    HB3  LYS   3           3HB      LYS   3   3.915  -3.160  -3.754
   22    HG2  LYS   3           2HG      LYS   3   5.065  -5.138  -2.037
   23    HG3  LYS   3           3HG      LYS   3   3.336  -4.990  -1.709
   24    HD2  LYS   3           2HD      LYS   3   2.790  -5.416  -3.991
   25    HD3  LYS   3           3HD      LYS   3   4.482  -5.289  -4.480
   26    HE2  LYS   3           2HE      LYS   3   4.754  -7.464  -4.131
   27    HE3  LYS   3           3HE      LYS   3   4.291  -7.260  -2.442
   28    HZ1  LYS   3           3HZ      LYS   3   2.934  -8.860  -3.857
   29    HZ2  LYS   3           1HZ      LYS   3   2.259  -7.485  -4.574
   30    HZ3  LYS   3           2HZ      LYS   3   2.079  -7.747  -2.913
   31    H    ASP   4           H        ASP   4   5.295  -0.224  -2.833
   32    HA   ASP   4           HA       ASP   4   5.846  -0.175  -5.648
   33    HB2  ASP   4           2HB      ASP   4   4.755   1.623  -3.680
   34    HB3  ASP   4           3HB      ASP   4   5.984   2.451  -4.632
   35    H    LEU   5           H        LEU   5   7.724   0.029  -2.800
   36    HA   LEU   5           HA       LEU   5   9.837   1.668  -3.632
   37    HB2  LEU   5           2HB      LEU   5   9.226   0.111  -1.406
   38    HB3  LEU   5           3HB      LEU   5  10.732  -0.563  -2.024
   39    HG   LEU   5           HG       LEU   5  10.253   2.291  -1.169
   40   HD11  LEU   5          1HD1      LEU   5  12.398   0.952   0.157
   41   HD12  LEU   5          2HD1      LEU   5  10.933  -0.019   0.293
   42   HD13  LEU   5          3HD1      LEU   5  10.933   1.657   0.841
   43   HD21  LEU   5          3HD2      LEU   5  12.583   0.953  -2.505
   44   HD22  LEU   5          1HD2      LEU   5  12.794   2.379  -1.488
   45   HD23  LEU   5          2HD2      LEU   5  11.780   2.466  -2.929
   46    H    ARG   6           H        ARG   6   8.922  -1.484  -4.619
   47    HA   ARG   6           HA       ARG   6  11.497  -2.358  -5.507
   48    HB2  ARG   6           2HB      ARG   6   8.727  -3.358  -5.613
   49    HB3  ARG   6           3HB      ARG   6   9.739  -3.840  -6.968
   50    HG2  ARG   6           2HG      ARG   6  11.429  -4.455  -5.039
   51    HG3  ARG   6           3HG      ARG   6   9.942  -4.555  -4.095
   52    HD2  ARG   6           2HD      ARG   6   9.039  -6.052  -5.922
   53    HD3  ARG   6           3HD      ARG   6  10.679  -6.105  -6.567
   54    HE   ARG   6           HE       ARG   6   9.680  -7.525  -4.302
   55   HH11  ARG   6          1HH1      ARG   6  12.524  -6.045  -5.659
   56   HH12  ARG   6          2HH1      ARG   6  13.626  -7.056  -4.784
   57   HH21  ARG   6          1HH2      ARG   6  11.121  -8.862  -3.145
   58   HH22  ARG   6          2HH2      ARG   6  12.827  -8.659  -3.355
   59    H    HIS   7           H        HIS   7   9.088  -0.271  -6.760
   60    HA   HIS   7           HA       HIS   7   9.723  -0.583  -9.532
   61    HB2  HIS   7           2HB      HIS   7   7.905   0.692  -9.830
   62    HB3  HIS   7           3HB      HIS   7   7.706   0.676  -8.080
   63    HD1  HIS   7           HD1      HIS   7   9.048   2.816 -10.868
   64    HD2  HIS   7           HD2      HIS   7   8.203   3.081  -6.809
   65    HE1  HIS   7           HE1      HIS   7   9.249   5.257 -10.298
   66    H    ALA   8           H        ALA   8  11.208   1.005  -6.920
   67    HA   ALA   8           HA       ALA   8  12.420   3.161  -8.334
   68    HB1  ALA   8           1HB      ALA   8  13.897   3.317  -6.348
   69    HB2  ALA   8           2HB      ALA   8  12.180   3.298  -5.947
   70    HB3  ALA   8           3HB      ALA   8  13.153   1.844  -5.724
   71    H    PHE   9           H        PHE   9  12.948  -0.163  -8.375
   72    HA   PHE   9           HA       PHE   9  15.778  -0.190  -8.726
   73    HB2  PHE   9           2HB      PHE   9  13.572  -2.134  -8.867
   74    HB3  PHE   9           3HB      PHE   9  14.919  -2.480  -9.947
   75    HD1  PHE   9           HD2      PHE   9  14.278  -1.520  -6.401
   76    HD2  PHE   9           HD1      PHE   9  16.669  -3.729  -9.144
   77    HE1  PHE   9           HE2      PHE   9  15.530  -2.492  -4.520
   78    HE2  PHE   9           HE1      PHE   9  17.925  -4.706  -7.267
   79    HZ   PHE   9           HZ       PHE   9  17.357  -4.087  -4.952
   80    H    ARG  10           H        ARG  10  13.235   0.809 -10.693
   81    HA   ARG  10           HA       ARG  10  14.513   0.149 -13.211
   82    HB2  ARG  10           2HB      ARG  10  11.930   0.403 -12.602
   83    HB3  ARG  10           3HB      ARG  10  12.242   2.070 -13.068
   84    HG2  ARG  10           2HG      ARG  10  11.495   1.072 -15.026
   85    HG3  ARG  10           3HG      ARG  10  13.251   1.080 -15.205
   86    HD2  ARG  10           2HD      ARG  10  13.318  -1.252 -14.417
   87    HD3  ARG  10           3HD      ARG  10  11.559  -1.249 -14.304
   88    HE   ARG  10           HE       ARG  10  13.115  -1.610 -16.658
   89   HH11  ARG  10          1HH1      ARG  10  10.128  -0.271 -15.475
   90   HH12  ARG  10          2HH1      ARG  10   9.302  -0.437 -16.989
   91   HH21  ARG  10          1HH2      ARG  10  12.039  -1.834 -18.657
   92   HH22  ARG  10          2HH2      ARG  10  10.390  -1.327 -18.798
   93    H    SER  11           H        SER  11  14.344   2.800 -10.992
   94    HA   SER  11           HA       SER  11  14.992   4.932 -12.685
   95    HB2  SER  11           2HB      SER  11  14.274   5.438 -10.469
   96    HB3  SER  11           3HB      SER  11  15.552   4.454  -9.756
   97    HG   SER  11           HG       SER  11  17.041   5.969 -10.318
   98    H    MET  12           H        MET  12  16.933   2.366 -11.384
   99    HA   MET  12           HA       MET  12  19.472   3.586 -11.758
  100    HB2  MET  12           2HB      MET  12  18.447   1.032 -10.887
  101    HB3  MET  12           3HB      MET  12  19.798   0.806 -11.989
  102    HG2  MET  12           2HG      MET  12  21.141   2.337 -10.586
  103    HG3  MET  12           3HG      MET  12  19.796   2.418  -9.450
  104    HE1  MET  12           3HE      MET  12  22.919   1.533  -9.084
  105    HE2  MET  12           1HE      MET  12  21.900   1.614  -7.646
  106    HE3  MET  12           2HE      MET  12  22.830   0.154  -7.987
  107    H    PHE  13           H        PHE  13  17.262   1.915 -13.848
  108    HA   PHE  13           HA       PHE  13  19.182   1.368 -15.912
  109    HB2  PHE  13           2HB      PHE  13  16.257   1.025 -15.551
  110    HB3  PHE  13           3HB      PHE  13  16.833   1.169 -17.209
  111    HD1  PHE  13           HD1      PHE  13  18.543  -0.423 -14.329
  112    HD2  PHE  13           HD2      PHE  13  16.544  -0.987 -18.045
  113    HE1  PHE  13           HE1      PHE  13  19.182  -2.799 -14.308
  114    HE2  PHE  13           HE2      PHE  13  17.179  -3.364 -18.029
  115    HZ   PHE  13           HZ       PHE  13  18.498  -4.273 -16.159
  116    HA   PRO  14           HA       PRO  14  19.081   5.135 -18.166
  117    HB2  PRO  14           2HB      PRO  14  19.149   4.285 -20.738
  118    HB3  PRO  14           3HB      PRO  14  20.533   4.143 -19.648
  119    HG2  PRO  14           2HG      PRO  14  18.551   2.069 -20.476
  120    HG3  PRO  14           3HG      PRO  14  20.299   1.915 -20.226
  121    HD2  PRO  14           2HD      PRO  14  18.425   1.107 -18.434
  122    HD3  PRO  14           3HD      PRO  14  20.074   1.585 -17.982
  123    H    SER  15           H        SER  15  16.513   2.902 -18.497
  124    HA   SER  15           HA       SER  15  14.934   4.373 -20.370
  125    HB2  SER  15           2HB      SER  15  14.816   1.835 -19.295
  126    HB3  SER  15           3HB      SER  15  13.453   2.646 -18.524
  127    HG   SER  15           HG       SER  15  12.435   2.501 -20.343
  128    H    SER  16           H        SER  16  15.759   4.928 -17.179
  129    HA   SER  16           HA       SER  16  13.299   6.029 -16.230
  130    HB2  SER  16           2HB      SER  16  14.387   6.274 -14.253
  131    HB3  SER  16           3HB      SER  16  15.608   5.252 -15.013
  132    HG   SER  16           HG       SER  16  16.020   7.597 -14.059
  133    H    GLU  17           H        GLU  17  16.092   7.270 -17.932
  134    HA   GLU  17           HA       GLU  17  15.252  10.027 -17.627
  135    HB2  GLU  17           2HB      GLU  17  17.276  10.631 -18.596
  136    HB3  GLU  17           3HB      GLU  17  17.683   9.137 -17.765
  137    HG2  GLU  17           2HG      GLU  17  17.120   8.041 -20.063
  138    HG3  GLU  17           3HG      GLU  17  17.407   9.666 -20.682
  Start of MODEL    7
    1    H1   ARG   1           H        ARG   1   2.267  -2.455  -0.950
    2    HA   ARG   1           HA       ARG   1   2.240   0.110  -1.783
    3    HB2  ARG   1           2HB      ARG   1   0.860   0.517   0.308
    4    HB3  ARG   1           3HB      ARG   1   2.324   0.207   1.230
    5    HG2  ARG   1           2HG      ARG   1   2.355   2.493   1.090
    6    HG3  ARG   1           3HG      ARG   1   3.342   2.053  -0.306
    7    HD2  ARG   1           2HD      ARG   1   1.057   2.097  -1.569
    8    HD3  ARG   1           3HD      ARG   1   0.542   3.091  -0.207
    9    HE   ARG   1           HE       ARG   1   2.330   3.846  -2.330
   10   HH11  ARG   1          1HH1      ARG   1   1.340   4.476   0.947
   11   HH12  ARG   1          2HH1      ARG   1   1.906   6.113   0.942
   12   HH21  ARG   1          1HH2      ARG   1   3.079   6.000  -2.350
   13   HH22  ARG   1          2HH2      ARG   1   2.894   6.980  -0.935
   14    H    SEP   2           H        SEP   2   3.681  -2.285   0.315
   15    HA   SEP   2           HA       SEP   2   6.326  -0.946   0.119
   16    HB2  SEP   2           2HB      SEP   2   5.116  -2.977   1.973
   17    HB3  SEP   2           3HB      SEP   2   6.730  -3.431   1.486
   18    H    LYS   3           H        LYS   3   4.429  -3.015  -1.621
   19    HA   LYS   3           HA       LYS   3   6.584  -4.570  -2.787
   20    HB2  LYS   3           2HB      LYS   3   4.838  -5.604  -4.142
   21    HB3  LYS   3           3HB      LYS   3   4.386  -5.607  -2.442
   22    HG2  LYS   3           2HG      LYS   3   2.477  -4.625  -2.964
   23    HG3  LYS   3           3HG      LYS   3   3.369  -3.226  -3.567
   24    HD2  LYS   3           2HD      LYS   3   1.954  -3.999  -5.329
   25    HD3  LYS   3           3HD      LYS   3   3.613  -4.430  -5.749
   26    HE2  LYS   3           2HE      LYS   3   2.875  -6.509  -6.059
   27    HE3  LYS   3           3HE      LYS   3   2.688  -6.611  -4.309
   28    HZ1  LYS   3           3HZ      LYS   3   0.692  -6.651  -6.290
   29    HZ2  LYS   3           1HZ      LYS   3   0.448  -5.297  -5.307
   30    HZ3  LYS   3           2HZ      LYS   3   0.523  -6.839  -4.618
   31    H    ASP   4           H        ASP   4   5.307  -1.511  -3.208
   32    HA   ASP   4           HA       ASP   4   5.727  -1.390  -6.081
   33    HB2  ASP   4           2HB      ASP   4   4.293   0.167  -4.128
   34    HB3  ASP   4           3HB      ASP   4   5.369   1.211  -5.052
   35    H    LEU   5           H        LEU   5   7.487  -0.853  -3.198
   36    HA   LEU   5           HA       LEU   5   9.282   1.142  -4.001
   37    HB2  LEU   5           2HB      LEU   5   9.155  -0.912  -1.915
   38    HB3  LEU   5           3HB      LEU   5  10.791  -0.454  -2.381
   39    HG   LEU   5           HG       LEU   5   8.789   1.653  -1.665
   40   HD11  LEU   5          1HD1      LEU   5   9.367  -0.403   0.074
   41   HD12  LEU   5          2HD1      LEU   5   8.796   1.205   0.517
   42   HD13  LEU   5          3HD1      LEU   5  10.524   0.850   0.524
   43   HD21  LEU   5          3HD2      LEU   5  10.668   2.976  -1.241
   44   HD22  LEU   5          1HD2      LEU   5  11.097   2.071  -2.693
   45   HD23  LEU   5          2HD2      LEU   5  11.740   1.580  -1.126
   46    H    ARG   6           H        ARG   6   8.969  -2.123  -4.990
   47    HA   ARG   6           HA       ARG   6  11.678  -2.524  -5.819
   48    HB2  ARG   6           2HB      ARG   6   9.818  -4.280  -5.311
   49    HB3  ARG   6           3HB      ARG   6   9.349  -4.011  -6.984
   50    HG2  ARG   6           2HG      ARG   6  10.757  -5.857  -7.080
   51    HG3  ARG   6           3HG      ARG   6  11.792  -4.509  -7.555
   52    HD2  ARG   6           2HD      ARG   6  13.208  -5.229  -5.988
   53    HD3  ARG   6           3HD      ARG   6  12.062  -4.580  -4.815
   54    HE   ARG   6           HE       ARG   6  11.101  -7.053  -5.269
   55   HH11  ARG   6          1HH1      ARG   6  14.275  -5.865  -4.474
   56   HH12  ARG   6          2HH1      ARG   6  14.740  -7.299  -3.620
   57   HH21  ARG   6          1HH2      ARG   6  11.701  -8.946  -4.147
   58   HH22  ARG   6          2HH2      ARG   6  13.276  -9.051  -3.435
   59    H    HIS   7           H        HIS   7   9.015  -0.830  -7.099
   60    HA   HIS   7           HA       HIS   7   9.687  -1.058  -9.870
   61    HB2  HIS   7           2HB      HIS   7   7.407  -0.459  -8.938
   62    HB3  HIS   7           3HB      HIS   7   8.062   1.136  -8.580
   63    HD1  HIS   7           HD1      HIS   7   7.164   2.691 -10.273
   64    HD2  HIS   7           HD2      HIS   7   8.256  -0.949 -11.951
   65    HE1  HIS   7           HE1      HIS   7   6.781   2.949 -12.745
   66    H    ALA   8           H        ALA   8  10.971   0.696  -7.266
   67    HA   ALA   8           HA       ALA   8  11.884   2.993  -8.698
   68    HB1  ALA   8           1HB      ALA   8  13.094   3.554  -6.727
   69    HB2  ALA   8           2HB      ALA   8  11.548   2.875  -6.217
   70    HB3  ALA   8           3HB      ALA   8  13.012   1.896  -6.131
   71    H    PHE   9           H        PHE   9  12.928  -0.246  -8.497
   72    HA   PHE   9           HA       PHE   9  15.699   0.025  -8.808
   73    HB2  PHE   9           2HB      PHE   9  13.941  -2.085  -8.633
   74    HB3  PHE   9           3HB      PHE   9  14.518  -2.211 -10.291
   75    HD1  PHE   9           HD1      PHE   9  16.076  -1.372  -7.002
   76    HD2  PHE   9           HD2      PHE   9  16.191  -3.749 -10.531
   77    HE1  PHE   9           HE1      PHE   9  18.132  -2.460  -6.199
   78    HE2  PHE   9           HE2      PHE   9  18.247  -4.841  -9.733
   79    HZ   PHE   9           HZ       PHE   9  19.219  -4.197  -7.564
   80    H    ARG  10           H        ARG  10  13.071   0.295 -11.092
   81    HA   ARG  10           HA       ARG  10  14.717   0.188 -13.432
   82    HB2  ARG  10           2HB      ARG  10  11.935   1.335 -13.150
   83    HB3  ARG  10           3HB      ARG  10  12.723   0.838 -14.641
   84    HG2  ARG  10           2HG      ARG  10  12.840  -1.489 -13.578
   85    HG3  ARG  10           3HG      ARG  10  11.658  -0.868 -12.424
   86    HD2  ARG  10           2HD      ARG  10  10.073  -1.392 -13.894
   87    HD3  ARG  10           3HD      ARG  10  10.696  -0.104 -14.924
   88    HE   ARG  10           HE       ARG  10  12.272  -2.282 -15.464
   89   HH11  ARG  10          1HH1      ARG  10   8.868  -1.565 -15.593
   90   HH12  ARG  10          2HH1      ARG  10   8.555  -2.657 -16.902
   91   HH21  ARG  10          1HH2      ARG  10  11.872  -3.723 -17.187
   92   HH22  ARG  10          2HH2      ARG  10  10.264  -3.884 -17.807
   93    H    SER  11           H        SER  11  13.553   2.703 -11.299
   94    HA   SER  11           HA       SER  11  14.117   4.913 -12.971
   95    HB2  SER  11           2HB      SER  11  13.407   4.483 -10.148
   96    HB3  SER  11           3HB      SER  11  14.386   5.920 -10.439
   97    HG   SER  11           HG       SER  11  12.246   5.467 -12.161
   98    H    MET  12           H        MET  12  16.116   2.827 -11.117
   99    HA   MET  12           HA       MET  12  18.303   4.633 -10.757
  100    HB2  MET  12           2HB      MET  12  18.502   2.954  -9.229
  101    HB3  MET  12           3HB      MET  12  17.794   1.751 -10.299
  102    HG2  MET  12           2HG      MET  12  19.816   1.356 -11.391
  103    HG3  MET  12           3HG      MET  12  20.534   2.849 -10.790
  104    HE1  MET  12           3HE      MET  12  22.716   0.033  -9.143
  105    HE2  MET  12           1HE      MET  12  21.825  -0.292 -10.630
  106    HE3  MET  12           2HE      MET  12  22.620   1.266 -10.401
  107    H    PHE  13           H        PHE  13  17.224   2.544 -13.300
  108    HA   PHE  13           HA       PHE  13  19.775   2.631 -14.690
  109    HB2  PHE  13           2HB      PHE  13  17.212   1.170 -15.025
  110    HB3  PHE  13           3HB      PHE  13  18.133   1.497 -16.490
  111    HD1  PHE  13           HD1      PHE  13  18.538   0.103 -13.063
  112    HD2  PHE  13           HD2      PHE  13  19.806   0.043 -17.125
  113    HE1  PHE  13           HE1      PHE  13  19.979  -1.832 -12.580
  114    HE2  PHE  13           HE2      PHE  13  21.249  -1.893 -16.650
  115    HZ   PHE  13           HZ       PHE  13  21.336  -2.834 -14.375
  116    HA   PRO  14           HA       PRO  14  18.885   6.015 -17.341
  117    HB2  PRO  14           2HB      PRO  14  19.968   5.222 -19.696
  118    HB3  PRO  14           3HB      PRO  14  20.949   5.655 -18.291
  119    HG2  PRO  14           2HG      PRO  14  20.190   2.952 -19.314
  120    HG3  PRO  14           3HG      PRO  14  21.736   3.506 -18.644
  121    HD2  PRO  14           2HD      PRO  14  19.892   2.053 -17.270
  122    HD3  PRO  14           3HD      PRO  14  21.049   3.150 -16.489
  123    H    SER  15           H        SER  15  17.432   3.014 -17.877
  124    HA   SER  15           HA       SER  15  16.079   3.555 -20.322
  125    HB2  SER  15           2HB      SER  15  16.459   1.266 -19.327
  126    HB3  SER  15           3HB      SER  15  15.201   1.642 -18.150
  127    HG   SER  15           HG       SER  15  13.702   1.552 -19.688
  128    H    SER  16           H        SER  16  15.579   4.501 -17.060
  129    HA   SER  16           HA       SER  16  12.770   5.134 -17.442
  130    HB2  SER  16           2HB      SER  16  14.664   5.426 -15.112
  131    HB3  SER  16           3HB      SER  16  13.032   6.092 -15.084
  132    HG   SER  16           HG       SER  16  13.514   3.384 -15.724
  133    H    GLU  17           H        GLU  17  15.721   6.587 -18.092
  134    HA   GLU  17           HA       GLU  17  14.940   9.312 -17.585
  135    HB2  GLU  17           2HB      GLU  17  17.081   9.889 -18.153
  136    HB3  GLU  17           3HB      GLU  17  17.342   8.204 -17.724
  137    HG2  GLU  17           2HG      GLU  17  18.449   8.255 -19.699
  138    HG3  GLU  17           3HG      GLU  17  16.840   7.841 -20.289
  Start of MODEL    8
    1    H1   ARG   1           H        ARG   1   1.764  -2.356  -0.269
    2    HA   ARG   1           HA       ARG   1   1.394  -0.623  -1.854
    3    HB2  ARG   1           2HB      ARG   1   1.432   1.468   0.269
    4    HB3  ARG   1           3HB      ARG   1   0.596   1.456  -1.278
    5    HG2  ARG   1           2HG      ARG   1  -0.934  -0.295  -0.304
    6    HG3  ARG   1           3HG      ARG   1  -0.195   0.058   1.260
    7    HD2  ARG   1           2HD      ARG   1  -0.902   2.522   0.036
    8    HD3  ARG   1           3HD      ARG   1  -2.291   1.441  -0.067
    9    HE   ARG   1           HE       ARG   1  -1.409   1.224   2.518
   10   HH11  ARG   1          1HH1      ARG   1  -2.481   3.817   0.456
   11   HH12  ARG   1          2HH1      ARG   1  -3.125   4.761   1.759
   12   HH21  ARG   1          1HH2      ARG   1  -2.252   2.458   4.241
   13   HH22  ARG   1          2HH2      ARG   1  -2.993   3.988   3.911
   14    H    SEP   2           H        SEP   2   3.639  -1.339   0.478
   15    HA   SEP   2           HA       SEP   2   5.557   0.769  -0.354
   16    HB2  SEP   2           2HB      SEP   2   7.095  -0.372   1.427
   17    HB3  SEP   2           3HB      SEP   2   5.629   0.344   2.049
   18    H    LYS   3           H        LYS   3   4.430  -1.983  -1.586
   19    HA   LYS   3           HA       LYS   3   6.813  -3.278  -2.468
   20    HB2  LYS   3           2HB      LYS   3   3.941  -3.625  -2.786
   21    HB3  LYS   3           3HB      LYS   3   4.811  -3.947  -4.280
   22    HG2  LYS   3           2HG      LYS   3   6.159  -5.613  -3.208
   23    HG3  LYS   3           3HG      LYS   3   5.477  -5.210  -1.630
   24    HD2  LYS   3           2HD      LYS   3   3.364  -5.800  -3.476
   25    HD3  LYS   3           3HD      LYS   3   4.544  -7.113  -3.485
   26    HE2  LYS   3           2HE      LYS   3   4.041  -7.746  -1.382
   27    HE3  LYS   3           3HE      LYS   3   3.836  -6.087  -0.822
   28    HZ1  LYS   3           3HZ      LYS   3   1.867  -7.954  -1.806
   29    HZ2  LYS   3           1HZ      LYS   3   1.722  -6.396  -2.449
   30    HZ3  LYS   3           2HZ      LYS   3   1.681  -6.626  -0.774
   31    H    ASP   4           H        ASP   4   5.340  -0.395  -3.346
   32    HA   ASP   4           HA       ASP   4   5.975  -0.426  -6.145
   33    HB2  ASP   4           2HB      ASP   4   4.563   1.293  -4.334
   34    HB3  ASP   4           3HB      ASP   4   5.736   2.247  -5.238
   35    H    LEU   5           H        LEU   5   7.698   0.206  -3.254
   36    HA   LEU   5           HA       LEU   5   9.616   2.044  -4.147
   37    HB2  LEU   5           2HB      LEU   5   9.481   0.014  -1.978
   38    HB3  LEU   5           3HB      LEU   5  11.052   0.711  -2.369
   39    HG   LEU   5           HG       LEU   5   8.828   2.611  -1.902
   40   HD11  LEU   5          1HD1      LEU   5   9.123   2.471   0.533
   41   HD12  LEU   5          2HD1      LEU   5  10.117   1.030   0.319
   42   HD13  LEU   5          3HD1      LEU   5   8.414   1.002  -0.139
   43   HD21  LEU   5          3HD2      LEU   5  11.175   3.257  -2.455
   44   HD22  LEU   5          1HD2      LEU   5  11.675   2.561  -0.914
   45   HD23  LEU   5          2HD2      LEU   5  10.572   3.937  -0.943
   46    H    ARG   6           H        ARG   6   9.144  -1.256  -4.919
   47    HA   ARG   6           HA       ARG   6  11.847  -1.869  -5.629
   48    HB2  ARG   6           2HB      ARG   6   9.485  -3.315  -5.306
   49    HB3  ARG   6           3HB      ARG   6   9.848  -3.448  -7.022
   50    HG2  ARG   6           2HG      ARG   6  12.284  -3.933  -5.918
   51    HG3  ARG   6           3HG      ARG   6  11.199  -4.628  -4.712
   52    HD2  ARG   6           2HD      ARG   6  11.211  -6.440  -6.028
   53    HD3  ARG   6           3HD      ARG   6  10.099  -5.523  -7.042
   54    HE   ARG   6           HE       ARG   6  12.588  -4.789  -7.900
   55   HH11  ARG   6          1HH1      ARG   6  10.880  -7.802  -7.546
   56   HH12  ARG   6          2HH1      ARG   6  11.704  -8.573  -8.860
   57   HH21  ARG   6          1HH2      ARG   6  13.680  -5.794  -9.632
   58   HH22  ARG   6          2HH2      ARG   6  13.297  -7.431 -10.046
   59    H    HIS   7           H        HIS   7   9.353  -0.087  -7.095
   60    HA   HIS   7           HA       HIS   7  10.049  -0.556  -9.826
   61    HB2  HIS   7           2HB      HIS   7   8.473   1.662  -8.509
   62    HB3  HIS   7           3HB      HIS   7   8.650   1.481 -10.251
   63    HD1  HIS   7           HD1      HIS   7   5.855   1.408  -9.219
   64    HD2  HIS   7           HD2      HIS   7   8.216  -2.002  -9.460
   65    HE1  HIS   7           HE1      HIS   7   4.244  -0.522  -9.286
   66    H    ALA   8           H        ALA   8  11.433   1.272  -7.319
   67    HA   ALA   8           HA       ALA   8  12.590   3.347  -8.914
   68    HB1  ALA   8           1HB      ALA   8  14.150   3.288  -6.704
   69    HB2  ALA   8           2HB      ALA   8  12.595   4.115  -6.800
   70    HB3  ALA   8           3HB      ALA   8  12.692   2.499  -6.101
   71    H    PHE   9           H        PHE   9  13.348   0.067  -8.319
   72    HA   PHE   9           HA       PHE   9  16.169   0.221  -8.716
   73    HB2  PHE   9           2HB      PHE   9  14.452  -1.723  -7.825
   74    HB3  PHE   9           3HB      PHE   9  14.874  -2.318  -9.427
   75    HD1  PHE   9           HD2      PHE   9  16.733  -0.631  -6.661
   76    HD2  PHE   9           HD1      PHE   9  16.515  -3.907  -9.370
   77    HE1  PHE   9           HE2      PHE   9  18.856  -1.502  -5.774
   78    HE2  PHE   9           HE1      PHE   9  18.637  -4.784  -8.486
   79    HZ   PHE   9           HZ       PHE   9  19.812  -3.580  -6.686
   80    H    ARG  10           H        ARG  10  13.435   0.198 -10.802
   81    HA   ARG  10           HA       ARG  10  14.938  -0.651 -13.133
   82    HB2  ARG  10           2HB      ARG  10  12.145  -0.346 -12.429
   83    HB3  ARG  10           3HB      ARG  10  12.492   0.409 -13.979
   84    HG2  ARG  10           2HG      ARG  10  13.473  -2.355 -13.435
   85    HG3  ARG  10           3HG      ARG  10  11.783  -2.089 -13.867
   86    HD2  ARG  10           2HD      ARG  10  13.751  -0.700 -15.556
   87    HD3  ARG  10           3HD      ARG  10  13.781  -2.460 -15.657
   88    HE   ARG  10           HE       ARG  10  11.822  -0.737 -16.762
   89   HH11  ARG  10          1HH1      ARG  10  12.208  -3.831 -15.214
   90   HH12  ARG  10          2HH1      ARG  10  10.811  -4.528 -15.966
   91   HH21  ARG  10          1HH2      ARG  10   9.981  -1.642 -17.757
   92   HH22  ARG  10          2HH2      ARG  10   9.545  -3.282 -17.413
   93    H    SER  11           H        SER  11  14.173   2.260 -11.505
   94    HA   SER  11           HA       SER  11  14.343   4.017 -13.754
   95    HB2  SER  11           2HB      SER  11  14.931   4.955 -10.975
   96    HB3  SER  11           3HB      SER  11  14.002   5.742 -12.250
   97    HG   SER  11           HG       SER  11  12.680   4.918 -10.552
   98    H    MET  12           H        MET  12  16.626   2.429 -11.738
   99    HA   MET  12           HA       MET  12  18.797   4.224 -11.990
  100    HB2  MET  12           2HB      MET  12  18.402   1.441 -11.099
  101    HB3  MET  12           3HB      MET  12  20.010   1.805 -11.710
  102    HG2  MET  12           2HG      MET  12  20.150   3.688 -10.123
  103    HG3  MET  12           3HG      MET  12  18.581   3.218  -9.473
  104    HE1  MET  12           3HE      MET  12  22.601   1.119  -8.936
  105    HE2  MET  12           1HE      MET  12  21.776   0.794 -10.461
  106    HE3  MET  12           2HE      MET  12  22.208   2.448 -10.028
  107    H    PHE  13           H        PHE  13  17.280   2.187 -14.233
  108    HA   PHE  13           HA       PHE  13  19.561   1.622 -15.871
  109    HB2  PHE  13           2HB      PHE  13  16.674   1.090 -15.948
  110    HB3  PHE  13           3HB      PHE  13  17.396   1.346 -17.533
  111    HD1  PHE  13           HD2      PHE  13  18.444  -0.397 -14.400
  112    HD2  PHE  13           HD1      PHE  13  17.868  -0.612 -18.612
  113    HE1  PHE  13           HE2      PHE  13  19.273  -2.714 -14.392
  114    HE2  PHE  13           HE1      PHE  13  18.695  -2.930 -18.610
  115    HZ   PHE  13           HZ       PHE  13  19.399  -3.983 -16.499
  116    HA   PRO  14           HA       PRO  14  19.786   5.248 -18.336
  117    HB2  PRO  14           2HB      PRO  14  20.360   4.257 -20.793
  118    HB3  PRO  14           3HB      PRO  14  21.517   4.230 -19.457
  119    HG2  PRO  14           2HG      PRO  14  19.783   2.039 -20.509
  120    HG3  PRO  14           3HG      PRO  14  21.457   1.966 -19.926
  121    HD2  PRO  14           2HD      PRO  14  19.300   1.190 -18.469
  122    HD3  PRO  14           3HD      PRO  14  20.821   1.754 -17.748
  123    H    SER  15           H        SER  15  17.337   2.972 -18.889
  124    HA   SER  15           HA       SER  15  16.109   4.300 -21.133
  125    HB2  SER  15           2HB      SER  15  15.592   1.884 -19.522
  126    HB3  SER  15           3HB      SER  15  14.147   2.694 -20.128
  127    HG   SER  15           HG       SER  15  15.763   1.096 -21.451
  128    H    SER  16           H        SER  16  16.098   4.652 -17.731
  129    HA   SER  16           HA       SER  16  13.521   5.967 -17.609
  130    HB2  SER  16           2HB      SER  16  14.346   4.600 -15.712
  131    HB3  SER  16           3HB      SER  16  15.674   5.740 -15.491
  132    HG   SER  16           HG       SER  16  12.902   6.316 -15.271
  133    H    GLU  17           H        GLU  17  16.899   6.834 -17.807
  134    HA   GLU  17           HA       GLU  17  16.454   9.618 -17.222
  135    HB2  GLU  17           2HB      GLU  17  18.837   8.065 -18.217
  136    HB3  GLU  17           3HB      GLU  17  18.860   9.815 -18.056
  137    HG2  GLU  17           2HG      GLU  17  17.990   9.184 -15.615
  138    HG3  GLU  17           3HG      GLU  17  18.894   7.715 -15.981
  Start of MODEL    9
    1    H1   ARG   1           H        ARG   1   1.244   2.682   0.687
    2    HA   ARG   1           HA       ARG   1   2.157   0.488   0.310
    3    HB2  ARG   1           2HB      ARG   1   1.931   2.373  -1.933
    4    HB3  ARG   1           3HB      ARG   1   2.917   0.959  -2.279
    5    HG2  ARG   1           2HG      ARG   1   1.099  -0.511  -1.728
    6    HG3  ARG   1           3HG      ARG   1   0.112   0.851  -1.195
    7    HD2  ARG   1           2HD      ARG   1   0.168   1.760  -3.479
    8    HD3  ARG   1           3HD      ARG   1   1.114   0.365  -3.998
    9    HE   ARG   1           HE       ARG   1  -1.719   0.455  -3.503
   10   HH11  ARG   1          1HH1      ARG   1   1.099  -1.578  -3.702
   11   HH12  ARG   1          2HH1      ARG   1   0.197  -3.017  -4.045
   12   HH21  ARG   1          1HH2      ARG   1  -2.918  -1.432  -3.954
   13   HH22  ARG   1          2HH2      ARG   1  -2.087  -2.933  -4.189
   14    H    SEP   2           H        SEP   2   3.954  -0.446   1.077
   15    HA   SEP   2           HA       SEP   2   6.552   0.893   0.587
   16    HB2  SEP   2           2HB      SEP   2   7.475  -0.591   2.343
   17    HB3  SEP   2           3HB      SEP   2   5.940   0.003   2.924
   18    H    LYS   3           H        LYS   3   4.607  -1.134  -1.025
   19    HA   LYS   3           HA       LYS   3   6.637  -2.887  -2.125
   20    HB2  LYS   3           2HB      LYS   3   3.729  -2.752  -2.124
   21    HB3  LYS   3           3HB      LYS   3   4.372  -3.105  -3.722
   22    HG2  LYS   3           2HG      LYS   3   3.830  -5.110  -2.347
   23    HG3  LYS   3           3HG      LYS   3   5.495  -5.047  -2.930
   24    HD2  LYS   3           2HD      LYS   3   6.345  -4.560  -0.823
   25    HD3  LYS   3           3HD      LYS   3   4.794  -3.966  -0.226
   26    HE2  LYS   3           2HE      LYS   3   4.180  -6.542  -0.827
   27    HE3  LYS   3           3HE      LYS   3   5.865  -6.702  -0.332
   28    HZ1  LYS   3           3HZ      LYS   3   3.579  -5.689   1.243
   29    HZ2  LYS   3           1HZ      LYS   3   5.175  -5.344   1.685
   30    HZ3  LYS   3           2HZ      LYS   3   4.644  -6.949   1.620
   31    H    ASP   4           H        ASP   4   5.726   0.262  -2.616
   32    HA   ASP   4           HA       ASP   4   5.998   0.328  -5.489
   33    HB2  ASP   4           2HB      ASP   4   5.112   2.131  -3.423
   34    HB3  ASP   4           3HB      ASP   4   6.288   2.934  -4.460
   35    H    LEU   5           H        LEU   5   8.083   0.446  -2.781
   36    HA   LEU   5           HA       LEU   5  10.179   2.024  -3.778
   37    HB2  LEU   5           2HB      LEU   5   9.738   0.200  -1.579
   38    HB3  LEU   5           3HB      LEU   5  11.363   0.025  -2.238
   39    HG   LEU   5           HG       LEU   5  11.694   2.471  -1.904
   40   HD11  LEU   5          1HD1      LEU   5   9.071   2.276  -0.431
   41   HD12  LEU   5          2HD1      LEU   5   9.352   3.150  -1.937
   42   HD13  LEU   5          3HD1      LEU   5  10.147   3.673  -0.452
   43   HD21  LEU   5          3HD2      LEU   5  12.577   0.939  -0.279
   44   HD22  LEU   5          1HD2      LEU   5  11.004   0.797   0.507
   45   HD23  LEU   5          2HD2      LEU   5  11.887   2.323   0.569
   46    H    ARG   6           H        ARG   6   9.087  -1.090  -4.672
   47    HA   ARG   6           HA       ARG   6  11.565  -2.089  -5.692
   48    HB2  ARG   6           2HB      ARG   6   9.196  -3.251  -5.094
   49    HB3  ARG   6           3HB      ARG   6   9.034  -3.102  -6.839
   50    HG2  ARG   6           2HG      ARG   6  10.560  -4.696  -7.248
   51    HG3  ARG   6           3HG      ARG   6  11.605  -4.181  -5.922
   52    HD2  ARG   6           2HD      ARG   6  10.047  -5.242  -4.328
   53    HD3  ARG   6           3HD      ARG   6   9.077  -5.810  -5.686
   54    HE   ARG   6           HE       ARG   6  11.580  -6.896  -4.761
   55   HH11  ARG   6          1HH1      ARG   6   9.370  -6.622  -7.437
   56   HH12  ARG   6          2HH1      ARG   6   9.930  -8.065  -8.215
   57   HH21  ARG   6          1HH2      ARG   6  12.325  -8.797  -5.776
   58   HH22  ARG   6          2HH2      ARG   6  11.610  -9.302  -7.270
   59    H    HIS   7           H        HIS   7   9.297   0.189  -6.790
   60    HA   HIS   7           HA       HIS   7   9.655  -0.188  -9.601
   61    HB2  HIS   7           2HB      HIS   7   8.563   2.113  -7.978
   62    HB3  HIS   7           3HB      HIS   7   8.611   2.111  -9.739
   63    HD1  HIS   7           HD1      HIS   7   6.102   2.066 -10.101
   64    HD2  HIS   7           HD2      HIS   7   7.462  -1.042  -7.703
   65    HE1  HIS   7           HE1      HIS   7   4.147   0.505  -9.852
   66    H    ALA   8           H        ALA   8  11.538   1.207  -7.141
   67    HA   ALA   8           HA       ALA   8  12.872   3.197  -8.694
   68    HB1  ALA   8           1HB      ALA   8  14.123   1.926  -6.298
   69    HB2  ALA   8           2HB      ALA   8  14.155   3.610  -6.823
   70    HB3  ALA   8           3HB      ALA   8  12.690   2.936  -6.108
   71    H    PHE   9           H        PHE   9  13.047  -0.184  -8.599
   72    HA   PHE   9           HA       PHE   9  15.789  -0.599  -9.123
   73    HB2  PHE   9           2HB      PHE   9  14.079  -2.343  -8.432
   74    HB3  PHE   9           3HB      PHE   9  13.530  -2.343 -10.105
   75    HD1  PHE   9           HD1      PHE   9  16.288  -3.197  -7.845
   76    HD2  PHE   9           HD2      PHE   9  14.824  -3.368 -11.838
   77    HE1  PHE   9           HE1      PHE   9  18.033  -4.837  -8.411
   78    HE2  PHE   9           HE2      PHE   9  16.565  -5.009 -12.410
   79    HZ   PHE   9           HZ       PHE   9  18.172  -5.746 -10.696
   80    H    ARG  10           H        ARG  10  13.135   0.404 -11.116
   81    HA   ARG  10           HA       ARG  10  14.503  -0.144 -13.603
   82    HB2  ARG  10           2HB      ARG  10  11.860   1.020 -12.833
   83    HB3  ARG  10           3HB      ARG  10  12.491   1.341 -14.443
   84    HG2  ARG  10           2HG      ARG  10  12.781  -1.199 -14.625
   85    HG3  ARG  10           3HG      ARG  10  11.716  -1.279 -13.220
   86    HD2  ARG  10           2HD      ARG  10   9.909  -0.411 -14.379
   87    HD3  ARG  10           3HD      ARG  10  10.929   0.344 -15.603
   88    HE   ARG  10           HE       ARG  10  10.854  -1.598 -16.803
   89   HH11  ARG  10          1HH1      ARG  10   9.879  -2.258 -13.526
   90   HH12  ARG  10          2HH1      ARG  10   9.412  -3.893 -13.857
   91   HH21  ARG  10          1HH2      ARG  10  10.242  -3.749 -17.250
   92   HH22  ARG  10          2HH2      ARG  10   9.620  -4.741 -15.975
   93    H    SER  11           H        SER  11  14.263   2.439 -11.343
   94    HA   SER  11           HA       SER  11  14.888   4.586 -13.098
   95    HB2  SER  11           2HB      SER  11  13.854   5.015 -10.936
   96    HB3  SER  11           3HB      SER  11  15.246   4.323 -10.103
   97    HG   SER  11           HG       SER  11  15.955   6.300 -10.126
   98    H    MET  12           H        MET  12  16.734   2.051 -11.769
   99    HA   MET  12           HA       MET  12  19.262   3.391 -11.713
  100    HB2  MET  12           2HB      MET  12  18.259   0.915 -10.850
  101    HB3  MET  12           3HB      MET  12  19.485   0.531 -12.050
  102    HG2  MET  12           2HG      MET  12  20.563   0.565  -9.952
  103    HG3  MET  12           3HG      MET  12  21.047   2.033 -10.798
  104    HE1  MET  12           3HE      MET  12  20.579   4.657  -9.370
  105    HE2  MET  12           1HE      MET  12  21.144   4.005  -7.832
  106    HE3  MET  12           2HE      MET  12  21.819   3.402  -9.346
  107    H    PHE  13           H        PHE  13  17.298   2.193 -14.187
  108    HA   PHE  13           HA       PHE  13  19.494   1.617 -16.006
  109    HB2  PHE  13           2HB      PHE  13  16.551   1.226 -16.029
  110    HB3  PHE  13           3HB      PHE  13  17.328   1.467 -17.590
  111    HD1  PHE  13           HD2      PHE  13  17.719  -0.544 -14.476
  112    HD2  PHE  13           HD1      PHE  13  18.146  -0.366 -18.707
  113    HE1  PHE  13           HE2      PHE  13  18.383  -2.913 -14.505
  114    HE2  PHE  13           HE1      PHE  13  18.811  -2.735 -18.743
  115    HZ   PHE  13           HZ       PHE  13  18.931  -4.011 -16.641
  116    HA   PRO  14           HA       PRO  14  19.595   5.514 -18.026
  117    HB2  PRO  14           2HB      PRO  14  19.987   4.826 -20.618
  118    HB3  PRO  14           3HB      PRO  14  21.232   4.633 -19.378
  119    HG2  PRO  14           2HG      PRO  14  19.402   2.591 -20.561
  120    HG3  PRO  14           3HG      PRO  14  21.111   2.442 -20.115
  121    HD2  PRO  14           2HD      PRO  14  19.050   1.504 -18.613
  122    HD3  PRO  14           3HD      PRO  14  20.624   1.971 -17.937
  123    H    SER  15           H        SER  15  17.132   3.273 -18.812
  124    HA   SER  15           HA       SER  15  15.763   4.795 -20.787
  125    HB2  SER  15           2HB      SER  15  13.788   3.285 -19.958
  126    HB3  SER  15           3HB      SER  15  15.147   2.553 -20.812
  127    HG   SER  15           HG       SER  15  15.641   1.492 -19.069
  128    H    SER  16           H        SER  16  15.944   4.942 -17.351
  129    HA   SER  16           HA       SER  16  13.482   6.416 -17.021
  130    HB2  SER  16           2HB      SER  16  14.013   5.114 -15.140
  131    HB3  SER  16           3HB      SER  16  15.709   5.595 -15.171
  132    HG   SER  16           HG       SER  16  15.218   7.465 -14.225
  133    H    GLU  17           H        GLU  17  16.813   7.106 -17.620
  134    HA   GLU  17           HA       GLU  17  16.658   9.860 -16.764
  135    HB2  GLU  17           2HB      GLU  17  18.736   8.020 -17.652
  136    HB3  GLU  17           3HB      GLU  17  18.914   9.620 -18.359
  137    HG2  GLU  17           2HG      GLU  17  19.342  10.616 -16.355
  138    HG3  GLU  17           3HG      GLU  17  18.412   9.431 -15.441
  Start of MODEL   10
    1    H1   ARG   1           H        ARG   1   2.720  -0.103   1.561
    2    HA   ARG   1           HA       ARG   1   2.991  -0.011  -1.333
    3    HB2  ARG   1           2HB      ARG   1   2.664   1.916   0.782
    4    HB3  ARG   1           3HB      ARG   1   4.071   2.327  -0.190
    5    HG2  ARG   1           2HG      ARG   1   1.689   1.595  -1.734
    6    HG3  ARG   1           3HG      ARG   1   1.529   3.060  -0.763
    7    HD2  ARG   1           2HD      ARG   1   3.943   3.504  -1.832
    8    HD3  ARG   1           3HD      ARG   1   3.249   2.502  -3.105
    9    HE   ARG   1           HE       ARG   1   1.958   4.278  -3.710
   10   HH11  ARG   1          1HH1      ARG   1   2.982   4.728  -0.413
   11   HH12  ARG   1          2HH1      ARG   1   2.284   6.308  -0.275
   12   HH21  ARG   1          1HH2      ARG   1   1.035   6.357  -3.540
   13   HH22  ARG   1          2HH2      ARG   1   1.176   7.233  -2.054
   14    H    SEP   2           H        SEP   2   4.836  -1.118   1.209
   15    HA   SEP   2           HA       SEP   2   7.418  -0.063   0.345
   16    HB2  SEP   2           2HB      SEP   2   8.391  -1.436   2.149
   17    HB3  SEP   2           3HB      SEP   2   6.888  -0.800   2.769
   18    H    LYS   3           H        LYS   3   5.304  -2.351  -0.810
   19    HA   LYS   3           HA       LYS   3   7.254  -4.115  -2.000
   20    HB2  LYS   3           2HB      LYS   3   5.407  -5.300  -2.913
   21    HB3  LYS   3           3HB      LYS   3   4.931  -4.812  -1.292
   22    HG2  LYS   3           2HG      LYS   3   3.954  -2.732  -2.627
   23    HG3  LYS   3           3HG      LYS   3   3.900  -3.931  -3.922
   24    HD2  LYS   3           2HD      LYS   3   2.683  -4.263  -1.180
   25    HD3  LYS   3           3HD      LYS   3   1.797  -3.838  -2.646
   26    HE2  LYS   3           2HE      LYS   3   1.474  -6.048  -2.843
   27    HE3  LYS   3           3HE      LYS   3   3.133  -6.075  -3.438
   28    HZ1  LYS   3           3HZ      LYS   3   2.054  -7.123  -0.996
   29    HZ2  LYS   3           1HZ      LYS   3   3.427  -6.167  -0.743
   30    HZ3  LYS   3           2HZ      LYS   3   3.504  -7.498  -1.784
   31    H    ASP   4           H        ASP   4   5.409  -1.299  -2.932
   32    HA   ASP   4           HA       ASP   4   5.878  -1.521  -5.735
   33    HB2  ASP   4           2HB      ASP   4   4.514   0.288  -3.949
   34    HB3  ASP   4           3HB      ASP   4   5.478   1.194  -5.112
   35    H    LEU   5           H        LEU   5   7.774  -0.481  -3.081
   36    HA   LEU   5           HA       LEU   5   9.448   1.401  -4.322
   37    HB2  LEU   5           2HB      LEU   5   9.205   0.581  -1.823
   38    HB3  LEU   5           3HB      LEU   5  10.549  -0.463  -2.281
   39    HG   LEU   5           HG       LEU   5  11.603   1.815  -3.088
   40   HD11  LEU   5          1HD1      LEU   5   9.463   2.627  -1.154
   41   HD12  LEU   5          2HD1      LEU   5   9.884   3.341  -2.711
   42   HD13  LEU   5          3HD1      LEU   5  10.952   3.558  -1.324
   43   HD21  LEU   5          3HD2      LEU   5  12.962   1.644  -1.286
   44   HD22  LEU   5          1HD2      LEU   5  12.082   0.131  -1.065
   45   HD23  LEU   5          2HD2      LEU   5  11.620   1.562  -0.142
   46    H    ARG   6           H        ARG   6   9.192  -1.984  -4.713
   47    HA   ARG   6           HA       ARG   6  11.879  -2.472  -5.569
   48    HB2  ARG   6           2HB      ARG   6  10.470  -4.268  -4.668
   49    HB3  ARG   6           3HB      ARG   6   9.360  -4.083  -6.019
   50    HG2  ARG   6           2HG      ARG   6  11.116  -4.769  -7.566
   51    HG3  ARG   6           3HG      ARG   6  12.240  -4.941  -6.216
   52    HD2  ARG   6           2HD      ARG   6  11.064  -6.769  -5.329
   53    HD3  ARG   6           3HD      ARG   6   9.635  -6.430  -6.304
   54    HE   ARG   6           HE       ARG   6  11.664  -6.956  -8.092
   55   HH11  ARG   6          1HH1      ARG   6  10.068  -8.642  -5.498
   56   HH12  ARG   6          2HH1      ARG   6  10.309 -10.210  -6.195
   57   HH21  ARG   6          1HH2      ARG   6  11.988  -9.014  -9.019
   58   HH22  ARG   6          2HH2      ARG   6  11.402 -10.421  -8.197
   59    H    HIS   7           H        HIS   7   9.139  -1.061  -7.007
   60    HA   HIS   7           HA       HIS   7   9.704  -1.763  -9.724
   61    HB2  HIS   7           2HB      HIS   7   7.499  -0.826  -8.536
   62    HB3  HIS   7           3HB      HIS   7   8.164   0.705  -9.098
   63    HD1  HIS   7           HD1      HIS   7   6.245  -2.189 -10.208
   64    HD2  HIS   7           HD2      HIS   7   8.537   0.783 -11.991
   65    HE1  HIS   7           HE1      HIS   7   5.616  -2.224 -12.643
   66    H    ALA   8           H        ALA   8  11.019   0.465  -7.518
   67    HA   ALA   8           HA       ALA   8  11.839   2.468  -9.384
   68    HB1  ALA   8           1HB      ALA   8  13.216   3.320  -7.554
   69    HB2  ALA   8           2HB      ALA   8  11.572   2.976  -7.014
   70    HB3  ALA   8           3HB      ALA   8  12.881   1.862  -6.620
   71    H    PHE   9           H        PHE   9  13.001  -0.637  -8.531
   72    HA   PHE   9           HA       PHE   9  15.743  -0.394  -8.947
   73    HB2  PHE   9           2HB      PHE   9  13.952  -2.482  -8.490
   74    HB3  PHE   9           3HB      PHE   9  14.692  -2.872 -10.040
   75    HD1  PHE   9           HD1      PHE   9  17.261  -2.807 -10.150
   76    HD2  PHE   9           HD2      PHE   9  15.051  -2.982  -6.517
   77    HE1  PHE   9           HE1      PHE   9  19.251  -3.667  -8.985
   78    HE2  PHE   9           HE2      PHE   9  17.037  -3.841  -5.346
   79    HZ   PHE   9           HZ       PHE   9  19.140  -4.184  -6.580
   80    H    ARG  10           H        ARG  10  13.103  -0.598 -11.236
   81    HA   ARG  10           HA       ARG  10  14.912  -0.844 -13.499
   82    HB2  ARG  10           2HB      ARG  10  12.745  -2.058 -13.457
   83    HB3  ARG  10           3HB      ARG  10  11.907  -0.512 -13.464
   84    HG2  ARG  10           2HG      ARG  10  12.868   0.009 -15.644
   85    HG3  ARG  10           3HG      ARG  10  13.726  -1.533 -15.636
   86    HD2  ARG  10           2HD      ARG  10  11.944  -2.410 -16.640
   87    HD3  ARG  10           3HD      ARG  10  11.089  -2.213 -15.111
   88    HE   ARG  10           HE       ARG  10   9.912  -0.473 -16.029
   89   HH11  ARG  10          1HH1      ARG  10  12.642  -1.216 -18.059
   90   HH12  ARG  10          2HH1      ARG  10  12.134  -0.173 -19.346
   91   HH21  ARG  10          1HH2      ARG  10   9.234   0.904 -17.717
   92   HH22  ARG  10          2HH2      ARG  10  10.197   1.033 -19.150
   93    H    SER  11           H        SER  11  12.994   1.576 -11.871
   94    HA   SER  11           HA       SER  11  13.179   3.537 -13.946
   95    HB2  SER  11           2HB      SER  11  12.057   4.993 -12.473
   96    HB3  SER  11           3HB      SER  11  11.434   3.398 -12.053
   97    HG   SER  11           HG       SER  11  12.398   5.045 -10.380
   98    H    MET  12           H        MET  12  15.274   2.433 -11.482
   99    HA   MET  12           HA       MET  12  16.785   4.843 -11.161
  100    HB2  MET  12           2HB      MET  12  16.622   2.870  -9.530
  101    HB3  MET  12           3HB      MET  12  17.782   2.062 -10.575
  102    HG2  MET  12           2HG      MET  12  18.779   4.652 -10.025
  103    HG3  MET  12           3HG      MET  12  18.255   3.938  -8.502
  104    HE1  MET  12           3HE      MET  12  19.983   1.089  -7.746
  105    HE2  MET  12           1HE      MET  12  20.948   2.486  -7.265
  106    HE3  MET  12           2HE      MET  12  19.187   2.586  -7.258
  107    H    PHE  13           H        PHE  13  16.545   2.601 -13.638
  108    HA   PHE  13           HA       PHE  13  19.306   2.846 -14.521
  109    HB2  PHE  13           2HB      PHE  13  17.010   1.130 -15.181
  110    HB3  PHE  13           3HB      PHE  13  17.989   1.595 -16.569
  111    HD1  PHE  13           HD1      PHE  13  18.718   0.620 -13.038
  112    HD2  PHE  13           HD2      PHE  13  19.471  -0.037 -17.176
  113    HE1  PHE  13           HE1      PHE  13  20.356  -1.123 -12.460
  114    HE2  PHE  13           HE2      PHE  13  21.109  -1.781 -16.604
  115    HZ   PHE  13           HZ       PHE  13  21.552  -2.327 -14.244
  116    HA   PRO  14           HA       PRO  14  18.698   6.112 -17.392
  117    HB2  PRO  14           2HB      PRO  14  20.262   5.365 -19.476
  118    HB3  PRO  14           3HB      PRO  14  20.925   5.893 -17.925
  119    HG2  PRO  14           2HG      PRO  14  20.570   3.125 -18.992
  120    HG3  PRO  14           3HG      PRO  14  21.915   3.804 -18.057
  121    HD2  PRO  14           2HD      PRO  14  19.951   2.238 -17.015
  122    HD3  PRO  14           3HD      PRO  14  20.858   3.430 -16.063
  123    H    SER  15           H        SER  15  17.713   2.946 -18.205
  124    HA   SER  15           HA       SER  15  16.730   3.460 -20.830
  125    HB2  SER  15           2HB      SER  15  17.125   1.196 -19.321
  126    HB3  SER  15           3HB      SER  15  15.367   1.337 -19.326
  127    HG   SER  15           HG       SER  15  15.915   1.771 -21.757
  128    H    SER  16           H        SER  16  15.421   3.764 -17.602
  129    HA   SER  16           HA       SER  16  12.744   4.316 -18.596
  130    HB2  SER  16           2HB      SER  16  12.720   3.070 -16.590
  131    HB3  SER  16           3HB      SER  16  13.944   4.094 -15.839
  132    HG   SER  16           HG       SER  16  12.313   5.135 -15.036
  133    H    GLU  17           H        GLU  17  15.519   6.015 -17.305
  134    HA   GLU  17           HA       GLU  17  14.115   8.525 -17.058
  135    HB2  GLU  17           2HB      GLU  17  15.870   8.183 -15.493
  136    HB3  GLU  17           3HB      GLU  17  17.004   7.725 -16.755
  137    HG2  GLU  17           2HG      GLU  17  17.344   9.901 -17.430
  138    HG3  GLU  17           3HG      GLU  17  15.811  10.457 -16.762
  Start of MODEL   11
    1    H1   ARG   1           H        ARG   1   1.897  -0.963   1.415
    2    HA   ARG   1           HA       ARG   1   2.582  -1.224  -0.834
    3    HB2  ARG   1           2HB      ARG   1   2.901   1.088  -1.701
    4    HB3  ARG   1           3HB      ARG   1   1.531   0.930  -0.610
    5    HG2  ARG   1           2HG      ARG   1   2.873   1.873   1.206
    6    HG3  ARG   1           3HG      ARG   1   4.237   2.045   0.099
    7    HD2  ARG   1           2HD      ARG   1   2.240   3.295  -1.274
    8    HD3  ARG   1           3HD      ARG   1   1.823   3.682   0.395
    9    HE   ARG   1           HE       ARG   1   4.474   4.237   0.254
   10   HH11  ARG   1          1HH1      ARG   1   1.702   5.199  -1.620
   11   HH12  ARG   1          2HH1      ARG   1   2.361   6.744  -2.043
   12   HH21  ARG   1          1HH2      ARG   1   5.352   6.269  -0.296
   13   HH22  ARG   1          2HH2      ARG   1   4.438   7.352  -1.290
   14    H    SEP   2           H        SEP   2   4.817  -1.853   1.061
   15    HA   SEP   2           HA       SEP   2   7.168  -0.586  -0.149
   16    HB2  SEP   2           2HB      SEP   2   7.559  -3.073   1.568
   17    HB3  SEP   2           3HB      SEP   2   8.408  -1.548   1.621
   18    H    LYS   3           H        LYS   3   5.086  -3.060  -0.953
   19    HA   LYS   3           HA       LYS   3   6.897  -4.770  -2.352
   20    HB2  LYS   3           2HB      LYS   3   4.915  -5.842  -3.238
   21    HB3  LYS   3           3HB      LYS   3   4.690  -5.527  -1.522
   22    HG2  LYS   3           2HG      LYS   3   3.490  -3.388  -2.278
   23    HG3  LYS   3           3HG      LYS   3   3.427  -4.158  -3.866
   24    HD2  LYS   3           2HD      LYS   3   2.302  -5.256  -1.289
   25    HD3  LYS   3           3HD      LYS   3   1.379  -4.599  -2.642
   26    HE2  LYS   3           2HE      LYS   3   2.513  -6.408  -4.052
   27    HE3  LYS   3           3HE      LYS   3   2.977  -7.139  -2.517
   28    HZ1  LYS   3           3HZ      LYS   3   0.169  -6.469  -3.178
   29    HZ2  LYS   3           1HZ      LYS   3   0.737  -7.465  -1.933
   30    HZ3  LYS   3           2HZ      LYS   3   0.856  -7.972  -3.542
   31    H    ASP   4           H        ASP   4   5.241  -1.826  -3.091
   32    HA   ASP   4           HA       ASP   4   5.620  -2.102  -5.956
   33    HB2  ASP   4           2HB      ASP   4   3.988  -0.485  -4.229
   34    HB3  ASP   4           3HB      ASP   4   4.903   0.556  -5.316
   35    H    LEU   5           H        LEU   5   7.307  -0.847  -3.252
   36    HA   LEU   5           HA       LEU   5   8.794   1.209  -4.449
   37    HB2  LEU   5           2HB      LEU   5   8.584   0.526  -1.973
   38    HB3  LEU   5           3HB      LEU   5   9.900  -0.593  -2.324
   39    HG   LEU   5           HG       LEU   5  10.863   1.804  -3.273
   40   HD11  LEU   5          1HD1      LEU   5   9.965   2.589  -0.585
   41   HD12  LEU   5          2HD1      LEU   5   8.725   2.609  -1.837
   42   HD13  LEU   5          3HD1      LEU   5  10.196   3.561  -2.038
   43   HD21  LEU   5          3HD2      LEU   5  12.370   1.699  -1.402
   44   HD22  LEU   5          1HD2      LEU   5  12.032   0.059  -1.957
   45   HD23  LEU   5          2HD2      LEU   5  11.248   0.677  -0.503
   46    H    ARG   6           H        ARG   6   8.931  -2.181  -4.847
   47    HA   ARG   6           HA       ARG   6  11.678  -2.363  -5.629
   48    HB2  ARG   6           2HB      ARG   6  10.083  -4.236  -4.791
   49    HB3  ARG   6           3HB      ARG   6   9.560  -4.318  -6.468
   50    HG2  ARG   6           2HG      ARG   6  11.722  -4.944  -7.206
   51    HG3  ARG   6           3HG      ARG   6  12.435  -4.572  -5.635
   52    HD2  ARG   6           2HD      ARG   6  11.923  -6.586  -4.825
   53    HD3  ARG   6           3HD      ARG   6  10.268  -6.486  -5.424
   54    HE   ARG   6           HE       ARG   6  12.421  -7.912  -6.607
   55   HH11  ARG   6          1HH1      ARG   6   9.565  -6.071  -7.365
   56   HH12  ARG   6          2HH1      ARG   6   9.296  -6.866  -8.880
   57   HH21  ARG   6          1HH2      ARG   6  12.078  -8.966  -8.601
   58   HH22  ARG   6          2HH2      ARG   6  10.725  -8.513  -9.582
   59    H    HIS   7           H        HIS   7   8.870  -1.207  -7.129
   60    HA   HIS   7           HA       HIS   7   9.533  -1.861  -9.833
   61    HB2  HIS   7           2HB      HIS   7   7.591   0.079  -8.586
   62    HB3  HIS   7           3HB      HIS   7   7.808  -0.034 -10.330
   63    HD1  HIS   7           HD1      HIS   7   5.932  -1.322 -11.273
   64    HD2  HIS   7           HD2      HIS   7   7.199  -2.891  -7.640
   65    HE1  HIS   7           HE1      HIS   7   4.511  -3.361 -10.888
   66    H    ALA   8           H        ALA   8  10.685   0.426  -7.612
   67    HA   ALA   8           HA       ALA   8  11.381   2.493  -9.466
   68    HB1  ALA   8           1HB      ALA   8  12.928   3.158  -7.487
   69    HB2  ALA   8           2HB      ALA   8  11.178   3.292  -7.308
   70    HB3  ALA   8           3HB      ALA   8  12.033   1.919  -6.607
   71    H    PHE   9           H        PHE   9  12.649  -0.563  -8.794
   72    HA   PHE   9           HA       PHE   9  15.407  -0.157  -9.078
   73    HB2  PHE   9           2HB      PHE   9  14.165  -2.287  -8.374
   74    HB3  PHE   9           3HB      PHE   9  13.956  -2.595 -10.095
   75    HD1  PHE   9           HD2      PHE   9  16.692  -1.651  -7.737
   76    HD2  PHE   9           HD1      PHE   9  15.483  -3.979 -11.088
   77    HE1  PHE   9           HE2      PHE   9  18.922  -2.687  -7.816
   78    HE2  PHE   9           HE1      PHE   9  17.711  -5.020 -11.173
   79    HZ   PHE   9           HZ       PHE   9  19.434  -4.374  -9.537
   80    H    ARG  10           H        ARG  10  12.860   0.025 -11.364
   81    HA   ARG  10           HA       ARG  10  14.603  -0.350 -13.660
   82    HB2  ARG  10           2HB      ARG  10  11.734   0.569 -13.715
   83    HB3  ARG  10           3HB      ARG  10  12.648  -0.211 -14.999
   84    HG2  ARG  10           2HG      ARG  10  12.739  -2.267 -13.624
   85    HG3  ARG  10           3HG      ARG  10  11.707  -1.472 -12.434
   86    HD2  ARG  10           2HD      ARG  10   9.856  -1.744 -13.678
   87    HD3  ARG  10           3HD      ARG  10  10.695  -1.358 -15.180
   88    HE   ARG  10           HE       ARG  10  11.345  -3.946 -14.096
   89   HH11  ARG  10          1HH1      ARG  10   9.183  -2.141 -16.143
   90   HH12  ARG  10          2HH1      ARG  10   8.703  -3.521 -17.074
   91   HH21  ARG  10          1HH2      ARG  10  10.721  -5.770 -15.315
   92   HH22  ARG  10          2HH2      ARG  10   9.578  -5.585 -16.602
   93    H    SER  11           H        SER  11  13.059   2.232 -11.874
   94    HA   SER  11           HA       SER  11  13.590   4.271 -13.808
   95    HB2  SER  11           2HB      SER  11  12.454   5.665 -12.404
   96    HB3  SER  11           3HB      SER  11  11.918   4.141 -11.698
   97    HG   SER  11           HG       SER  11  13.702   4.350 -10.220
   98    H    MET  12           H        MET  12  15.329   2.858 -11.148
   99    HA   MET  12           HA       MET  12  17.198   4.891 -10.665
  100    HB2  MET  12           2HB      MET  12  16.752   2.712  -9.354
  101    HB3  MET  12           3HB      MET  12  17.874   1.967 -10.485
  102    HG2  MET  12           2HG      MET  12  19.617   3.519  -9.801
  103    HG3  MET  12           3HG      MET  12  18.494   4.302  -8.691
  104    HE1  MET  12           3HE      MET  12  21.527   2.240  -8.418
  105    HE2  MET  12           1HE      MET  12  21.025   3.690  -7.547
  106    HE3  MET  12           2HE      MET  12  21.266   2.176  -6.675
  107    H    PHE  13           H        PHE  13  16.916   2.593 -13.240
  108    HA   PHE  13           HA       PHE  13  19.621   2.748 -14.139
  109    HB2  PHE  13           2HB      PHE  13  17.087   1.574 -15.142
  110    HB3  PHE  13           3HB      PHE  13  18.319   1.935 -16.347
  111    HD1  PHE  13           HD2      PHE  13  17.920   0.248 -13.049
  112    HD2  PHE  13           HD1      PHE  13  19.937   0.361 -16.796
  113    HE1  PHE  13           HE2      PHE  13  19.077  -1.849 -12.486
  114    HE2  PHE  13           HE1      PHE  13  21.097  -1.736 -16.239
  115    HZ   PHE  13           HZ       PHE  13  20.669  -2.844 -14.081
  116    HA   PRO  14           HA       PRO  14  19.589   6.412 -16.559
  117    HB2  PRO  14           2HB      PRO  14  21.091   5.715 -18.705
  118    HB3  PRO  14           3HB      PRO  14  21.775   5.933 -17.090
  119    HG2  PRO  14           2HG      PRO  14  21.054   3.411 -18.519
  120    HG3  PRO  14           3HG      PRO  14  22.452   3.754 -17.482
  121    HD2  PRO  14           2HD      PRO  14  20.248   2.378 -16.683
  122    HD3  PRO  14           3HD      PRO  14  21.290   3.289 -15.571
  123    H    SER  15           H        SER  15  18.153   3.571 -17.774
  124    HA   SER  15           HA       SER  15  17.354   4.533 -20.333
  125    HB2  SER  15           2HB      SER  15  17.465   2.092 -19.507
  126    HB3  SER  15           3HB      SER  15  15.890   2.407 -18.779
  127    HG   SER  15           HG       SER  15  16.351   3.018 -21.487
  128    H    SER  16           H        SER  16  16.389   5.328 -17.221
  129    HA   SER  16           HA       SER  16  13.608   5.749 -17.639
  130    HB2  SER  16           2HB      SER  16  14.654   5.519 -15.390
  131    HB3  SER  16           3HB      SER  16  15.423   7.089 -15.620
  132    HG   SER  16           HG       SER  16  12.688   6.479 -15.312
  133    H    GLU  17           H        GLU  17  16.471   7.598 -18.308
  134    HA   GLU  17           HA       GLU  17  14.966  10.037 -18.810
  135    HB2  GLU  17           2HB      GLU  17  17.049  11.123 -19.072
  136    HB3  GLU  17           3HB      GLU  17  17.270   9.993 -17.743
  137    HG2  GLU  17           2HG      GLU  17  19.087   9.302 -18.806
  138    HG3  GLU  17           3HG      GLU  17  17.999   8.521 -19.951
  Start of MODEL   12
    1    H1   ARG   1           H        ARG   1   2.575   2.956  -0.919
    2    HA   ARG   1           HA       ARG   1   1.833   0.556  -0.061
    3    HB2  ARG   1           2HB      ARG   1   2.166   0.425  -3.041
    4    HB3  ARG   1           3HB      ARG   1   2.511  -0.982  -2.045
    5    HG2  ARG   1           2HG      ARG   1  -0.106   0.466  -1.861
    6    HG3  ARG   1           3HG      ARG   1   0.185  -0.784  -3.072
    7    HD2  ARG   1           2HD      ARG   1  -0.636  -2.120  -1.439
    8    HD3  ARG   1           3HD      ARG   1   1.044  -2.087  -0.904
    9    HE   ARG   1           HE       ARG   1  -0.582   0.009   0.212
   10   HH11  ARG   1          1HH1      ARG   1   0.498  -3.283   0.558
   11   HH12  ARG   1          2HH1      ARG   1   0.220  -3.332   2.267
   12   HH21  ARG   1          1HH2      ARG   1  -0.952  -0.043   2.462
   13   HH22  ARG   1          2HH2      ARG   1  -0.605  -1.489   3.349
   14    H    SEP   2           H        SEP   2   3.555  -0.900   0.489
   15    HA   SEP   2           HA       SEP   2   6.164   0.492   0.379
   16    HB2  SEP   2           2HB      SEP   2   5.466  -0.364   2.614
   17    HB3  SEP   2           3HB      SEP   2   5.211  -1.978   1.998
   18    H    LYS   3           H        LYS   3   4.483  -1.922  -1.252
   19    HA   LYS   3           HA       LYS   3   6.826  -3.303  -2.251
   20    HB2  LYS   3           2HB      LYS   3   4.243  -4.080  -1.898
   21    HB3  LYS   3           3HB      LYS   3   4.239  -3.701  -3.616
   22    HG2  LYS   3           2HG      LYS   3   5.486  -5.488  -4.144
   23    HG3  LYS   3           3HG      LYS   3   6.517  -5.319  -2.721
   24    HD2  LYS   3           2HD      LYS   3   3.757  -6.111  -2.129
   25    HD3  LYS   3           3HD      LYS   3   4.660  -7.285  -3.088
   26    HE2  LYS   3           2HE      LYS   3   6.345  -7.473  -1.432
   27    HE3  LYS   3           3HE      LYS   3   5.741  -6.065  -0.559
   28    HZ1  LYS   3           3HZ      LYS   3   4.682  -8.800  -0.632
   29    HZ2  LYS   3           1HZ      LYS   3   3.602  -7.520  -0.392
   30    HZ3  LYS   3           2HZ      LYS   3   4.883  -7.759   0.686
   31    H    ASP   4           H        ASP   4   5.373  -0.409  -2.914
   32    HA   ASP   4           HA       ASP   4   5.619  -0.449  -5.787
   33    HB2  ASP   4           2HB      ASP   4   4.477   1.300  -3.795
   34    HB3  ASP   4           3HB      ASP   4   5.482   2.219  -4.912
   35    H    LEU   5           H        LEU   5   7.674   0.163  -3.120
   36    HA   LEU   5           HA       LEU   5   9.475   2.004  -4.229
   37    HB2  LEU   5           2HB      LEU   5   9.305   1.186  -1.827
   38    HB3  LEU   5           3HB      LEU   5  10.238  -0.214  -2.351
   39    HG   LEU   5           HG       LEU   5  12.001   1.478  -3.119
   40   HD11  LEU   5          1HD1      LEU   5  11.200   3.372  -1.080
   41   HD12  LEU   5          2HD1      LEU   5  10.039   3.294  -2.405
   42   HD13  LEU   5          3HD1      LEU   5  11.733   3.652  -2.738
   43   HD21  LEU   5          3HD2      LEU   5  12.721   1.805  -0.649
   44   HD22  LEU   5          1HD2      LEU   5  12.606   0.172  -1.307
   45   HD23  LEU   5          2HD2      LEU   5  11.314   0.804  -0.286
   46    H    ARG   6           H        ARG   6   8.903  -1.287  -4.954
   47    HA   ARG   6           HA       ARG   6  11.505  -1.909  -5.971
   48    HB2  ARG   6           2HB      ARG   6   9.012  -3.282  -5.569
   49    HB3  ARG   6           3HB      ARG   6   9.592  -3.579  -7.203
   50    HG2  ARG   6           2HG      ARG   6  11.795  -4.231  -6.198
   51    HG3  ARG   6           3HG      ARG   6  11.015  -4.148  -4.617
   52    HD2  ARG   6           2HD      ARG   6   9.434  -5.692  -6.469
   53    HD3  ARG   6           3HD      ARG   6  11.076  -6.325  -6.367
   54    HE   ARG   6           HE       ARG   6   9.054  -6.538  -4.392
   55   HH11  ARG   6          1HH1      ARG   6  12.485  -6.099  -4.789
   56   HH12  ARG   6          2HH1      ARG   6  12.885  -6.810  -3.260
   57   HH21  ARG   6          1HH2      ARG   6   9.568  -7.476  -2.377
   58   HH22  ARG   6          2HH2      ARG   6  11.225  -7.593  -1.889
   59    H    HIS   7           H        HIS   7   8.861  -0.119  -7.135
   60    HA   HIS   7           HA       HIS   7   9.176  -0.586  -9.922
   61    HB2  HIS   7           2HB      HIS   7   7.108   0.343  -8.945
   62    HB3  HIS   7           3HB      HIS   7   7.982   1.808  -8.508
   63    HD1  HIS   7           HD1      HIS   7   7.576  -0.146 -11.760
   64    HD2  HIS   7           HD2      HIS   7   7.409   3.738 -10.293
   65    HE1  HIS   7           HE1      HIS   7   7.040   1.301 -13.746
   66    H    ALA   8           H        ALA   8  10.989   1.168  -7.643
   67    HA   ALA   8           HA       ALA   8  12.027   3.172  -9.403
   68    HB1  ALA   8           1HB      ALA   8  13.605   3.649  -7.612
   69    HB2  ALA   8           2HB      ALA   8  11.967   3.492  -6.976
   70    HB3  ALA   8           3HB      ALA   8  13.121   2.174  -6.775
   71    H    PHE   9           H        PHE   9  12.550  -0.134  -9.118
   72    HA   PHE   9           HA       PHE   9  15.320  -0.326  -9.611
   73    HB2  PHE   9           2HB      PHE   9  13.439  -2.134  -9.005
   74    HB3  PHE   9           3HB      PHE   9  13.510  -2.394 -10.745
   75    HD1  PHE   9           HD1      PHE   9  15.726  -2.974 -11.789
   76    HD2  PHE   9           HD2      PHE   9  15.080  -3.003  -7.582
   77    HE1  PHE   9           HE1      PHE   9  17.717  -4.390 -11.497
   78    HE2  PHE   9           HE2      PHE   9  17.070  -4.418  -7.283
   79    HZ   PHE   9           HZ       PHE   9  18.392  -5.112  -9.241
   80    H    ARG  10           H        ARG  10  12.667   0.516 -11.625
   81    HA   ARG  10           HA       ARG  10  14.067  -0.077 -14.098
   82    HB2  ARG  10           2HB      ARG  10  11.924  -0.317 -14.717
   83    HB3  ARG  10           3HB      ARG  10  11.339   0.570 -13.316
   84    HG2  ARG  10           2HG      ARG  10  11.703   2.673 -14.448
   85    HG3  ARG  10           3HG      ARG  10  12.404   1.833 -15.833
   86    HD2  ARG  10           2HD      ARG  10  10.190   0.603 -16.015
   87    HD3  ARG  10           3HD      ARG  10   9.557   1.781 -14.866
   88    HE   ARG  10           HE       ARG  10  10.060   2.194 -17.644
   89   HH11  ARG  10          1HH1      ARG  10  10.000   3.766 -14.538
   90   HH12  ARG  10          2HH1      ARG  10   9.690   5.339 -15.194
   91   HH21  ARG  10          1HH2      ARG  10   9.652   4.261 -18.520
   92   HH22  ARG  10          2HH2      ARG  10   9.492   5.619 -17.459
   93    H    SER  11           H        SER  11  13.333   2.670 -12.059
   94    HA   SER  11           HA       SER  11  14.136   4.656 -13.953
   95    HB2  SER  11           2HB      SER  11  13.001   4.604 -11.316
   96    HB3  SER  11           3HB      SER  11  14.388   5.693 -11.330
   97    HG   SER  11           HG       SER  11  12.583   6.847 -11.954
   98    H    MET  12           H        MET  12  15.747   2.725 -11.549
   99    HA   MET  12           HA       MET  12  18.125   4.308 -11.421
  100    HB2  MET  12           2HB      MET  12  17.214   1.702 -10.356
  101    HB3  MET  12           3HB      MET  12  18.950   1.879 -10.572
  102    HG2  MET  12           2HG      MET  12  19.085   3.628  -9.043
  103    HG3  MET  12           3HG      MET  12  17.355   3.952  -9.121
  104    HE1  MET  12           3HE      MET  12  19.690   2.324  -6.191
  105    HE2  MET  12           1HE      MET  12  19.224   3.884  -6.871
  106    HE3  MET  12           2HE      MET  12  18.261   3.161  -5.582
  107    H    PHE  13           H        PHE  13  16.870   2.085 -13.668
  108    HA   PHE  13           HA       PHE  13  19.348   1.079 -14.677
  109    HB2  PHE  13           2HB      PHE  13  16.500   0.836 -15.339
  110    HB3  PHE  13           3HB      PHE  13  17.560   0.799 -16.744
  111    HD1  PHE  13           HD1      PHE  13  17.910  -0.552 -13.286
  112    HD2  PHE  13           HD2      PHE  13  17.791  -1.369 -17.461
  113    HE1  PHE  13           HE1      PHE  13  18.418  -2.917 -12.834
  114    HE2  PHE  13           HE2      PHE  13  18.297  -3.735 -17.017
  115    HZ   PHE  13           HZ       PHE  13  18.611  -4.512 -14.701
  116    HA   PRO  14           HA       PRO  14  20.572   4.267 -17.436
  117    HB2  PRO  14           2HB      PRO  14  21.517   2.877 -19.562
  118    HB3  PRO  14           3HB      PRO  14  22.350   2.924 -18.004
  119    HG2  PRO  14           2HG      PRO  14  20.599   0.796 -19.154
  120    HG3  PRO  14           3HG      PRO  14  22.090   0.634 -18.208
  121    HD2  PRO  14           2HD      PRO  14  19.590   0.305 -17.196
  122    HD3  PRO  14           3HD      PRO  14  20.984   0.808 -16.219
  123    H    SER  15           H        SER  15  18.307   1.893 -18.635
  124    HA   SER  15           HA       SER  15  17.685   3.217 -21.077
  125    HB2  SER  15           2HB      SER  15  15.546   1.572 -19.926
  126    HB3  SER  15           3HB      SER  15  16.378   1.418 -21.473
  127    HG   SER  15           HG       SER  15  16.699  -0.074 -19.341
  128    H    SER  16           H        SER  16  16.996   3.939 -17.867
  129    HA   SER  16           HA       SER  16  14.421   5.165 -18.310
  130    HB2  SER  16           2HB      SER  16  14.954   4.189 -16.124
  131    HB3  SER  16           3HB      SER  16  16.294   5.320 -15.934
  132    HG   SER  16           HG       SER  16  14.898   6.954 -15.649
  133    H    GLU  17           H        GLU  17  17.586   6.028 -18.954
  134    HA   GLU  17           HA       GLU  17  17.426   8.829 -18.384
  135    HB2  GLU  17           2HB      GLU  17  19.574   7.605 -18.500
  136    HB3  GLU  17           3HB      GLU  17  19.318   7.351 -20.220
  137    HG2  GLU  17           2HG      GLU  17  19.894   9.460 -20.760
  138    HG3  GLU  17           3HG      GLU  17  19.190  10.145 -19.297
  Start of MODEL   13
    1    H1   ARG   1           H        ARG   1   3.329   3.072  -2.142
    2    HA   ARG   1           HA       ARG   1   1.847   1.430  -0.333
    3    HB2  ARG   1           2HB      ARG   1   2.479   0.283  -3.058
    4    HB3  ARG   1           3HB      ARG   1   1.820  -0.608  -1.693
    5    HG2  ARG   1           2HG      ARG   1   0.301   1.772  -2.544
    6    HG3  ARG   1           3HG      ARG   1   0.322   0.409  -3.666
    7    HD2  ARG   1           2HD      ARG   1  -1.423  -0.301  -2.430
    8    HD3  ARG   1           3HD      ARG   1  -0.159  -0.880  -1.346
    9    HE   ARG   1           HE       ARG   1  -0.875   1.802  -0.748
   10   HH11  ARG   1          1HH1      ARG   1  -1.938  -1.494  -0.395
   11   HH12  ARG   1          2HH1      ARG   1  -2.853  -1.182   1.043
   12   HH21  ARG   1          1HH2      ARG   1  -2.075   2.225   1.145
   13   HH22  ARG   1          2HH2      ARG   1  -2.930   0.934   1.918
   14    H    SEP   2           H        SEP   2   3.136  -0.740   0.058
   15    HA   SEP   2           HA       SEP   2   5.916   0.157   0.498
   16    HB2  SEP   2           2HB      SEP   2   4.095  -1.515   1.987
   17    HB3  SEP   2           3HB      SEP   2   5.344  -2.613   1.457
   18    H    LYS   3           H        LYS   3   4.123  -1.827  -1.620
   19    HA   LYS   3           HA       LYS   3   6.431  -3.267  -2.621
   20    HB2  LYS   3           2HB      LYS   3   3.910  -4.036  -2.490
   21    HB3  LYS   3           3HB      LYS   3   3.802  -3.220  -4.044
   22    HG2  LYS   3           2HG      LYS   3   4.343  -5.267  -4.812
   23    HG3  LYS   3           3HG      LYS   3   5.983  -4.698  -4.491
   24    HD2  LYS   3           2HD      LYS   3   5.731  -5.714  -2.180
   25    HD3  LYS   3           3HD      LYS   3   4.270  -6.495  -2.790
   26    HE2  LYS   3           2HE      LYS   3   5.728  -7.405  -4.663
   27    HE3  LYS   3           3HE      LYS   3   7.109  -6.867  -3.710
   28    HZ1  LYS   3           3HZ      LYS   3   6.626  -8.371  -2.022
   29    HZ2  LYS   3           1HZ      LYS   3   6.331  -9.261  -3.431
   30    HZ3  LYS   3           2HZ      LYS   3   5.038  -8.622  -2.548
   31    H    ASP   4           H        ASP   4   5.279  -0.205  -2.999
   32    HA   ASP   4           HA       ASP   4   5.734   0.073  -5.839
   33    HB2  ASP   4           2HB      ASP   4   4.533   1.647  -3.746
   34    HB3  ASP   4           3HB      ASP   4   5.701   2.621  -4.635
   35    H    LEU   5           H        LEU   5   7.598   0.211  -2.973
   36    HA   LEU   5           HA       LEU   5   9.606   2.025  -3.748
   37    HB2  LEU   5           2HB      LEU   5   9.052   0.533  -1.515
   38    HB3  LEU   5           3HB      LEU   5  10.516  -0.232  -2.129
   39    HG   LEU   5           HG       LEU   5  10.724   2.671  -2.030
   40   HD11  LEU   5          1HD1      LEU   5  10.568   1.297   0.631
   41   HD12  LEU   5          2HD1      LEU   5   9.172   2.108  -0.079
   42   HD13  LEU   5          3HD1      LEU   5  10.636   3.023   0.278
   43   HD21  LEU   5          3HD2      LEU   5  12.847   2.173  -1.063
   44   HD22  LEU   5          1HD2      LEU   5  12.563   1.007  -2.356
   45   HD23  LEU   5          2HD2      LEU   5  12.348   0.527  -0.672
   46    H    ARG   6           H        ARG   6   8.865  -1.121  -4.835
   47    HA   ARG   6           HA       ARG   6  11.499  -1.880  -5.657
   48    HB2  ARG   6           2HB      ARG   6   8.736  -2.927  -6.144
   49    HB3  ARG   6           3HB      ARG   6  10.066  -3.501  -7.140
   50    HG2  ARG   6           2HG      ARG   6  10.473  -3.537  -4.211
   51    HG3  ARG   6           3HG      ARG   6   9.327  -4.698  -4.884
   52    HD2  ARG   6           2HD      ARG   6  11.236  -5.170  -6.593
   53    HD3  ARG   6           3HD      ARG   6  12.265  -4.432  -5.365
   54    HE   ARG   6           HE       ARG   6  12.092  -6.355  -4.158
   55   HH11  ARG   6          1HH1      ARG   6   9.416  -6.201  -6.379
   56   HH12  ARG   6          2HH1      ARG   6   8.819  -7.776  -5.972
   57   HH21  ARG   6          1HH2      ARG   6  11.316  -8.430  -3.614
   58   HH22  ARG   6          2HH2      ARG   6   9.900  -9.043  -4.399
   59    H    HIS   7           H        HIS   7   9.197   0.288  -6.856
   60    HA   HIS   7           HA       HIS   7   9.783   0.038  -9.644
   61    HB2  HIS   7           2HB      HIS   7   7.670   1.025  -8.655
   62    HB3  HIS   7           3HB      HIS   7   8.620   2.451  -8.250
   63    HD1  HIS   7           HD1      HIS   7   9.046   0.610 -11.500
   64    HD2  HIS   7           HD2      HIS   7   7.347   4.118 -10.060
   65    HE1  HIS   7           HE1      HIS   7   8.433   1.947 -13.540
   66    H    ALA   8           H        ALA   8  11.419   1.399  -7.010
   67    HA   ALA   8           HA       ALA   8  12.740   3.531  -8.389
   68    HB1  ALA   8           1HB      ALA   8  12.474   3.628  -5.988
   69    HB2  ALA   8           2HB      ALA   8  13.416   2.149  -5.796
   70    HB3  ALA   8           3HB      ALA   8  14.189   3.615  -6.397
   71    H    PHE   9           H        PHE   9  13.073   0.177  -8.436
   72    HA   PHE   9           HA       PHE   9  15.904   0.020  -8.814
   73    HB2  PHE   9           2HB      PHE   9  13.918  -1.809  -8.292
   74    HB3  PHE   9           3HB      PHE   9  14.308  -2.149  -9.975
   75    HD1  PHE   9           HD2      PHE   9  16.755  -2.561 -10.562
   76    HD2  PHE   9           HD1      PHE   9  15.261  -2.616  -6.576
   77    HE1  PHE   9           HE2      PHE   9  18.724  -3.851  -9.845
   78    HE2  PHE   9           HE1      PHE   9  17.228  -3.905  -5.853
   79    HZ   PHE   9           HZ       PHE   9  18.962  -4.526  -7.489
   80    H    ARG  10           H        ARG  10  13.225   0.786 -10.819
   81    HA   ARG  10           HA       ARG  10  14.521   0.120 -13.307
   82    HB2  ARG  10           2HB      ARG  10  12.020   1.719 -12.732
   83    HB3  ARG  10           3HB      ARG  10  12.569   1.256 -14.337
   84    HG2  ARG  10           2HG      ARG  10  12.525  -1.149 -13.075
   85    HG3  ARG  10           3HG      ARG  10  11.183  -0.312 -12.292
   86    HD2  ARG  10           2HD      ARG  10  10.163   0.143 -14.430
   87    HD3  ARG  10           3HD      ARG  10  11.550  -0.542 -15.275
   88    HE   ARG  10           HE       ARG  10  10.327  -2.406 -13.487
   89   HH11  ARG  10          1HH1      ARG  10  10.113  -0.977 -16.654
   90   HH12  ARG  10          2HH1      ARG  10   9.266  -2.321 -17.346
   91   HH21  ARG  10          1HH2      ARG  10   9.213  -4.182 -14.386
   92   HH22  ARG  10          2HH2      ARG  10   8.754  -4.143 -16.055
   93    H    SER  11           H        SER  11  14.514   2.764 -11.141
   94    HA   SER  11           HA       SER  11  15.101   4.832 -13.016
   95    HB2  SER  11           2HB      SER  11  14.196   5.081 -10.619
   96    HB3  SER  11           3HB      SER  11  15.871   4.884 -10.102
   97    HG   SER  11           HG       SER  11  15.927   6.657 -12.020
   98    H    MET  12           H        MET  12  16.964   2.410 -11.391
   99    HA   MET  12           HA       MET  12  19.507   3.674 -11.679
  100    HB2  MET  12           2HB      MET  12  18.470   1.184 -10.620
  101    HB3  MET  12           3HB      MET  12  19.937   0.914 -11.551
  102    HG2  MET  12           2HG      MET  12  20.601   3.094 -10.042
  103    HG3  MET  12           3HG      MET  12  19.568   2.174  -8.950
  104    HE1  MET  12           3HE      MET  12  23.716   1.469 -10.392
  105    HE2  MET  12           1HE      MET  12  22.643   2.866 -10.488
  106    HE3  MET  12           2HE      MET  12  23.403   2.441  -8.954
  107    H    PHE  13           H        PHE  13  17.408   2.178 -13.856
  108    HA   PHE  13           HA       PHE  13  19.468   1.206 -15.648
  109    HB2  PHE  13           2HB      PHE  13  16.511   1.082 -15.517
  110    HB3  PHE  13           3HB      PHE  13  17.214   1.081 -17.131
  111    HD1  PHE  13           HD2      PHE  13  18.742  -0.406 -14.117
  112    HD2  PHE  13           HD1      PHE  13  16.697  -1.122 -17.780
  113    HE1  PHE  13           HE2      PHE  13  19.214  -2.811 -13.907
  114    HE2  PHE  13           HE1      PHE  13  17.164  -3.529 -17.575
  115    HZ   PHE  13           HZ       PHE  13  18.426  -4.376 -15.637
  116    HA   PRO  14           HA       PRO  14  19.855   4.764 -18.191
  117    HB2  PRO  14           2HB      PRO  14  20.082   3.696 -20.671
  118    HB3  PRO  14           3HB      PRO  14  21.350   3.550 -19.448
  119    HG2  PRO  14           2HG      PRO  14  19.293   1.558 -20.294
  120    HG3  PRO  14           3HG      PRO  14  20.995   1.303 -19.868
  121    HD2  PRO  14           2HD      PRO  14  18.915   0.785 -18.202
  122    HD3  PRO  14           3HD      PRO  14  20.551   1.182 -17.636
  123    H    SER  15           H        SER  15  17.280   2.529 -18.934
  124    HA   SER  15           HA       SER  15  15.971   4.129 -20.887
  125    HB2  SER  15           2HB      SER  15  15.515   1.752 -20.779
  126    HB3  SER  15           3HB      SER  15  14.935   1.899 -19.121
  127    HG   SER  15           HG       SER  15  13.643   2.401 -21.481
  128    H    SER  16           H        SER  16  16.318   4.454 -17.554
  129    HA   SER  16           HA       SER  16  13.791   5.595 -16.909
  130    HB2  SER  16           2HB      SER  16  14.914   4.848 -15.020
  131    HB3  SER  16           3HB      SER  16  16.469   5.471 -15.572
  132    HG   SER  16           HG       SER  16  14.283   7.091 -14.764
  133    H    GLU  17           H        GLU  17  16.785   6.841 -18.200
  134    HA   GLU  17           HA       GLU  17  15.948   9.604 -17.872
  135    HB2  GLU  17           2HB      GLU  17  18.376   8.620 -17.731
  136    HB3  GLU  17           3HB      GLU  17  18.332   8.774 -19.482
  137    HG2  GLU  17           2HG      GLU  17  18.469  11.016 -19.426
  138    HG3  GLU  17           3HG      GLU  17  17.473  11.150 -17.978
  Start of MODEL   14
    1    H1   ARG   1           H        ARG   1   3.083   2.595  -0.122
    2    HA   ARG   1           HA       ARG   1   3.757   0.479   0.814
    3    HB2  ARG   1           2HB      ARG   1   3.235   0.255  -2.155
    4    HB3  ARG   1           3HB      ARG   1   3.215  -1.106  -1.041
    5    HG2  ARG   1           2HG      ARG   1   1.480   1.251  -0.486
    6    HG3  ARG   1           3HG      ARG   1   1.000   0.092  -1.727
    7    HD2  ARG   1           2HD      ARG   1   0.250  -1.293  -0.163
    8    HD3  ARG   1           3HD      ARG   1   1.854  -1.354   0.567
    9    HE   ARG   1           HE       ARG   1   1.080  -0.009   2.236
   10   HH11  ARG   1          1HH1      ARG   1  -1.015   0.331  -0.523
   11   HH12  ARG   1          2HH1      ARG   1  -2.152   1.346   0.301
   12   HH21  ARG   1          1HH2      ARG   1  -0.410   1.327   3.332
   13   HH22  ARG   1          2HH2      ARG   1  -1.806   1.912   2.493
   14    H    SEP   2           H        SEP   2   5.211  -1.304   0.854
   15    HA   SEP   2           HA       SEP   2   7.887  -0.530  -0.073
   16    HB2  SEP   2           2HB      SEP   2   7.697  -3.269   1.141
   17    HB3  SEP   2           3HB      SEP   2   8.661  -1.904   1.644
   18    H    LYS   3           H        LYS   3   5.310  -2.503  -1.127
   19    HA   LYS   3           HA       LYS   3   6.778  -4.213  -2.866
   20    HB2  LYS   3           2HB      LYS   3   3.911  -3.531  -2.447
   21    HB3  LYS   3           3HB      LYS   3   4.355  -4.265  -3.982
   22    HG2  LYS   3           2HG      LYS   3   4.179  -6.232  -2.981
   23    HG3  LYS   3           3HG      LYS   3   5.638  -5.822  -2.076
   24    HD2  LYS   3           2HD      LYS   3   4.386  -6.026  -0.238
   25    HD3  LYS   3           3HD      LYS   3   3.638  -4.498  -0.709
   26    HE2  LYS   3           2HE      LYS   3   1.900  -6.092  -0.282
   27    HE3  LYS   3           3HE      LYS   3   1.965  -5.792  -2.018
   28    HZ1  LYS   3           3HZ      LYS   3   1.737  -8.168  -1.400
   29    HZ2  LYS   3           1HZ      LYS   3   3.271  -8.103  -0.690
   30    HZ3  LYS   3           2HZ      LYS   3   3.097  -7.845  -2.353
   31    H    ASP   4           H        ASP   4   5.398  -1.017  -3.159
   32    HA   ASP   4           HA       ASP   4   5.780  -0.920  -6.028
   33    HB2  ASP   4           2HB      ASP   4   4.329   0.603  -4.067
   34    HB3  ASP   4           3HB      ASP   4   5.342   1.682  -5.023
   35    H    LEU   5           H        LEU   5   7.608  -0.276  -3.216
   36    HA   LEU   5           HA       LEU   5   9.297   1.775  -4.149
   37    HB2  LEU   5           2HB      LEU   5   8.979   0.600  -1.784
   38    HB3  LEU   5           3HB      LEU   5  10.384  -0.309  -2.336
   39    HG   LEU   5           HG       LEU   5  11.117   2.304  -2.802
   40   HD11  LEU   5          1HD1      LEU   5  10.677   3.144  -0.330
   41   HD12  LEU   5          2HD1      LEU   5   9.220   2.170  -0.525
   42   HD13  LEU   5          3HD1      LEU   5   9.556   3.489  -1.647
   43   HD21  LEU   5          3HD2      LEU   5  12.270   0.253  -1.692
   44   HD22  LEU   5          1HD2      LEU   5  11.709   0.984  -0.188
   45   HD23  LEU   5          2HD2      LEU   5  12.782   1.885  -1.259
   46    H    ARG   6           H        ARG   6   9.067  -1.525  -4.988
   47    HA   ARG   6           HA       ARG   6  11.784  -1.908  -5.801
   48    HB2  ARG   6           2HB      ARG   6  10.386  -3.815  -5.210
   49    HB3  ARG   6           3HB      ARG   6   9.270  -3.428  -6.512
   50    HG2  ARG   6           2HG      ARG   6  12.032  -3.774  -7.395
   51    HG3  ARG   6           3HG      ARG   6  11.322  -5.215  -6.663
   52    HD2  ARG   6           2HD      ARG   6   9.627  -3.758  -8.591
   53    HD3  ARG   6           3HD      ARG   6  11.044  -4.566  -9.260
   54    HE   ARG   6           HE       ARG   6   9.634  -6.315  -7.544
   55   HH11  ARG   6          1HH1      ARG   6   9.457  -4.838 -10.691
   56   HH12  ARG   6          2HH1      ARG   6   8.512  -6.115 -11.381
   57   HH21  ARG   6          1HH2      ARG   6   8.390  -8.003  -8.441
   58   HH22  ARG   6          2HH2      ARG   6   7.905  -7.915 -10.101
   59    H    HIS   7           H        HIS   7   9.088  -0.321  -7.147
   60    HA   HIS   7           HA       HIS   7   9.773  -0.648  -9.907
   61    HB2  HIS   7           2HB      HIS   7   7.885   1.148  -8.409
   62    HB3  HIS   7           3HB      HIS   7   8.188   1.390 -10.127
   63    HD1  HIS   7           HD1      HIS   7   5.988  -0.346  -7.905
   64    HD2  HIS   7           HD2      HIS   7   7.635  -1.148 -11.635
   65    HE1  HIS   7           HE1      HIS   7   4.542  -2.143  -8.906
   66    H    ALA   8           H        ALA   8  10.982   1.257  -7.370
   67    HA   ALA   8           HA       ALA   8  11.849   3.505  -8.913
   68    HB1  ALA   8           1HB      ALA   8  13.122   4.125  -6.932
   69    HB2  ALA   8           2HB      ALA   8  11.474   3.666  -6.500
   70    HB3  ALA   8           3HB      ALA   8  12.805   2.543  -6.219
   71    H    PHE   9           H        PHE   9  13.043   0.327  -8.368
   72    HA   PHE   9           HA       PHE   9  15.798   0.780  -8.788
   73    HB2  PHE   9           2HB      PHE   9  13.993  -1.590  -8.872
   74    HB3  PHE   9           3HB      PHE   9  15.578  -1.739  -9.624
   75    HD1  PHE   9           HD2      PHE   9  14.616   0.156  -6.579
   76    HD2  PHE   9           HD1      PHE   9  16.743  -3.156  -8.200
   77    HE1  PHE   9           HE2      PHE   9  15.615  -0.277  -4.373
   78    HE2  PHE   9           HE1      PHE   9  17.745  -3.595  -5.996
   79    HZ   PHE   9           HZ       PHE   9  17.183  -2.154  -4.080
   80    H    ARG  10           H        ARG  10  13.101   0.683 -10.923
   81    HA   ARG  10           HA       ARG  10  14.548   0.052 -13.307
   82    HB2  ARG  10           2HB      ARG  10  12.150  -0.365 -13.157
   83    HB3  ARG  10           3HB      ARG  10  11.846   1.351 -12.917
   84    HG2  ARG  10           2HG      ARG  10  12.220   1.868 -15.116
   85    HG3  ARG  10           3HG      ARG  10  13.281   0.482 -15.374
   86    HD2  ARG  10           2HD      ARG  10  11.581  -0.716 -16.151
   87    HD3  ARG  10           3HD      ARG  10  10.679  -0.451 -14.659
   88    HE   ARG  10           HE       ARG  10   9.445   1.163 -15.724
   89   HH11  ARG  10          1HH1      ARG  10  12.230   0.370 -17.656
   90   HH12  ARG  10          2HH1      ARG  10  11.695   1.274 -19.033
   91   HH21  ARG  10          1HH2      ARG  10   8.730   2.358 -17.530
   92   HH22  ARG  10          2HH2      ARG  10   9.705   2.406 -18.960
   93    H    SER  11           H        SER  11  13.930   2.935 -11.492
   94    HA   SER  11           HA       SER  11  14.481   4.779 -13.610
   95    HB2  SER  11           2HB      SER  11  13.445   4.960 -11.023
   96    HB3  SER  11           3HB      SER  11  14.972   5.839 -10.950
   97    HG   SER  11           HG       SER  11  13.685   7.362 -11.713
   98    H    MET  12           H        MET  12  16.385   2.955 -11.382
   99    HA   MET  12           HA       MET  12  18.722   4.590 -11.476
  100    HB2  MET  12           2HB      MET  12  17.923   2.535  -9.892
  101    HB3  MET  12           3HB      MET  12  19.059   1.706 -10.948
  102    HG2  MET  12           2HG      MET  12  20.371   4.037 -10.221
  103    HG3  MET  12           3HG      MET  12  19.553   3.512  -8.752
  104    HE1  MET  12           3HE      MET  12  22.481   2.524  -7.509
  105    HE2  MET  12           1HE      MET  12  23.384   2.826  -8.994
  106    HE3  MET  12           2HE      MET  12  22.114   3.942  -8.493
  107    H    PHE  13           H        PHE  13  17.373   2.133 -13.507
  108    HA   PHE  13           HA       PHE  13  19.840   1.595 -14.908
  109    HB2  PHE  13           2HB      PHE  13  17.125   0.511 -14.875
  110    HB3  PHE  13           3HB      PHE  13  17.802   0.617 -16.496
  111    HD1  PHE  13           HD1      PHE  13  19.539  -0.078 -13.290
  112    HD2  PHE  13           HD2      PHE  13  18.262  -1.588 -17.059
  113    HE1  PHE  13           HE1      PHE  13  20.811  -2.146 -12.889
  114    HE2  PHE  13           HE2      PHE  13  19.531  -3.658 -16.663
  115    HZ   PHE  13           HZ       PHE  13  20.807  -3.940 -14.576
  116    HA   PRO  14           HA       PRO  14  19.553   4.618 -18.080
  117    HB2  PRO  14           2HB      PRO  14  20.421   3.263 -20.263
  118    HB3  PRO  14           3HB      PRO  14  21.493   3.730 -18.937
  119    HG2  PRO  14           2HG      PRO  14  20.252   1.083 -19.528
  120    HG3  PRO  14           3HG      PRO  14  21.865   1.452 -18.892
  121    HD2  PRO  14           2HD      PRO  14  19.798   0.600 -17.359
  122    HD3  PRO  14           3HD      PRO  14  21.155   1.570 -16.752
  123    H    SER  15           H        SER  15  17.609   1.827 -18.222
  124    HA   SER  15           HA       SER  15  16.312   2.295 -20.710
  125    HB2  SER  15           2HB      SER  15  15.785   0.573 -18.324
  126    HB3  SER  15           3HB      SER  15  14.482   0.828 -19.485
  127    HG   SER  15           HG       SER  15  16.990   0.159 -20.498
  128    H    SER  16           H        SER  16  16.113   3.788 -17.662
  129    HA   SER  16           HA       SER  16  13.386   4.717 -17.985
  130    HB2  SER  16           2HB      SER  16  15.163   4.425 -15.807
  131    HB3  SER  16           3HB      SER  16  14.833   6.151 -15.952
  132    HG   SER  16           HG       SER  16  12.784   5.820 -15.462
  133    H    GLU  17           H        GLU  17  16.589   5.782 -18.711
  134    HA   GLU  17           HA       GLU  17  15.996   8.571 -18.906
  135    HB2  GLU  17           2HB      GLU  17  18.296   6.814 -19.467
  136    HB3  GLU  17           3HB      GLU  17  18.191   8.247 -20.481
  137    HG2  GLU  17           2HG      GLU  17  17.802   9.426 -18.148
  138    HG3  GLU  17           3HG      GLU  17  18.680   8.012 -17.567
  Start of MODEL   15
    1    H1   ARG   1           H        ARG   1   3.585   3.485   0.690
    2    HA   ARG   1           HA       ARG   1   3.203   0.607   1.182
    3    HB2  ARG   1           2HB      ARG   1   2.162   2.220  -0.967
    4    HB3  ARG   1           3HB      ARG   1   3.254   1.000  -1.605
    5    HG2  ARG   1           2HG      ARG   1   1.710  -0.566  -1.374
    6    HG3  ARG   1           3HG      ARG   1   1.532  -0.191   0.341
    7    HD2  ARG   1           2HD      ARG   1  -0.178   1.347  -0.050
    8    HD3  ARG   1           3HD      ARG   1   0.240   1.517  -1.754
    9    HE   ARG   1           HE       ARG   1  -1.046  -0.323  -2.224
   10   HH11  ARG   1          1HH1      ARG   1  -0.515  -0.128   1.211
   11   HH12  ARG   1          2HH1      ARG   1  -1.647  -1.383   1.590
   12   HH21  ARG   1          1HH2      ARG   1  -2.540  -1.977  -1.738
   13   HH22  ARG   1          2HH2      ARG   1  -2.798  -2.435  -0.089
   14    H    SEP   2           H        SEP   2   5.063  -0.491   1.252
   15    HA   SEP   2           HA       SEP   2   7.472   0.836   0.129
   16    HB2  SEP   2           2HB      SEP   2   8.052   0.089   2.313
   17    HB3  SEP   2           3HB      SEP   2   7.003  -1.305   2.257
   18    H    LYS   3           H        LYS   3   5.120  -1.003  -1.011
   19    HA   LYS   3           HA       LYS   3   6.611  -2.940  -2.524
   20    HB2  LYS   3           2HB      LYS   3   3.851  -2.383  -1.967
   21    HB3  LYS   3           3HB      LYS   3   4.072  -2.527  -3.706
   22    HG2  LYS   3           2HG      LYS   3   5.068  -4.717  -3.428
   23    HG3  LYS   3           3HG      LYS   3   4.945  -4.571  -1.673
   24    HD2  LYS   3           2HD      LYS   3   2.657  -4.843  -1.677
   25    HD3  LYS   3           3HD      LYS   3   2.485  -4.263  -3.336
   26    HE2  LYS   3           2HE      LYS   3   4.089  -6.579  -3.439
   27    HE3  LYS   3           3HE      LYS   3   2.735  -6.948  -2.373
   28    HZ1  LYS   3           3HZ      LYS   3   1.253  -6.088  -4.155
   29    HZ2  LYS   3           1HZ      LYS   3   2.101  -7.489  -4.582
   30    HZ3  LYS   3           2HZ      LYS   3   2.598  -5.985  -5.175
   31    H    ASP   4           H        ASP   4   5.870   0.365  -2.865
   32    HA   ASP   4           HA       ASP   4   6.060   0.394  -5.756
   33    HB2  ASP   4           2HB      ASP   4   5.149   2.202  -3.712
   34    HB3  ASP   4           3HB      ASP   4   6.318   3.018  -4.747
   35    H    LEU   5           H        LEU   5   8.171   0.580  -3.073
   36    HA   LEU   5           HA       LEU   5  10.229   2.182  -4.114
   37    HB2  LEU   5           2HB      LEU   5   9.852   0.359  -1.892
   38    HB3  LEU   5           3HB      LEU   5  11.481   0.255  -2.558
   39    HG   LEU   5           HG       LEU   5  11.237   2.929  -2.331
   40   HD11  LEU   5          1HD1      LEU   5  10.101   3.541  -0.337
   41   HD12  LEU   5          2HD1      LEU   5   9.753   1.858   0.058
   42   HD13  LEU   5          3HD1      LEU   5   8.961   2.621  -1.320
   43   HD21  LEU   5          3HD2      LEU   5  13.084   1.600  -1.494
   44   HD22  LEU   5          1HD2      LEU   5  12.082   1.000  -0.173
   45   HD23  LEU   5          2HD2      LEU   5  12.517   2.708  -0.243
   46    H    ARG   6           H        ARG   6   9.176  -0.955  -4.960
   47    HA   ARG   6           HA       ARG   6  11.664  -1.930  -5.985
   48    HB2  ARG   6           2HB      ARG   6   9.684  -3.342  -5.258
   49    HB3  ARG   6           3HB      ARG   6   8.903  -2.866  -6.760
   50    HG2  ARG   6           2HG      ARG   6   9.863  -4.639  -7.683
   51    HG3  ARG   6           3HG      ARG   6  11.391  -3.764  -7.565
   52    HD2  ARG   6           2HD      ARG   6  11.743  -4.733  -5.328
   53    HD3  ARG   6           3HD      ARG   6  10.243  -5.643  -5.503
   54    HE   ARG   6           HE       ARG   6  12.786  -6.282  -6.644
   55   HH11  ARG   6          1HH1      ARG   6   9.344  -6.565  -7.082
   56   HH12  ARG   6          2HH1      ARG   6   9.454  -7.994  -8.056
   57   HH21  ARG   6          1HH2      ARG   6  12.944  -8.163  -7.924
   58   HH22  ARG   6          2HH2      ARG   6  11.502  -8.903  -8.533
   59    H    HIS   7           H        HIS   7   9.339   0.285  -7.095
   60    HA   HIS   7           HA       HIS   7   9.652  -0.128  -9.901
   61    HB2  HIS   7           2HB      HIS   7   8.559   2.154  -8.262
   62    HB3  HIS   7           3HB      HIS   7   8.642   2.215 -10.020
   63    HD1  HIS   7           HD1      HIS   7   6.500   1.602 -11.064
   64    HD2  HIS   7           HD2      HIS   7   7.096  -0.428  -7.488
   65    HE1  HIS   7           HE1      HIS   7   4.451   0.178 -10.749
   66    H    ALA   8           H        ALA   8  11.589   1.306  -7.507
   67    HA   ALA   8           HA       ALA   8  12.898   3.249  -9.152
   68    HB1  ALA   8           1HB      ALA   8  14.250   2.146  -6.751
   69    HB2  ALA   8           2HB      ALA   8  14.089   3.817  -7.295
   70    HB3  ALA   8           3HB      ALA   8  12.727   3.007  -6.520
   71    H    PHE   9           H        PHE   9  13.159  -0.138  -8.750
   72    HA   PHE   9           HA       PHE   9  15.887  -0.511  -9.356
   73    HB2  PHE   9           2HB      PHE   9  13.447  -2.213  -9.375
   74    HB3  PHE   9           3HB      PHE   9  14.840  -2.790 -10.284
   75    HD1  PHE   9           HD1      PHE   9  14.606  -0.966  -7.045
   76    HD2  PHE   9           HD2      PHE   9  15.782  -4.514  -9.081
   77    HE1  PHE   9           HE1      PHE   9  15.599  -1.827  -4.965
   78    HE2  PHE   9           HE2      PHE   9  16.775  -5.381  -7.004
   79    HZ   PHE   9           HZ       PHE   9  16.684  -4.037  -4.942
   80    H    ARG  10           H        ARG  10  13.110   0.167 -11.327
   81    HA   ARG  10           HA       ARG  10  14.498  -0.497 -13.795
   82    HB2  ARG  10           2HB      ARG  10  11.726   0.099 -13.005
   83    HB3  ARG  10           3HB      ARG  10  12.196   0.749 -14.570
   84    HG2  ARG  10           2HG      ARG  10  13.151  -1.767 -14.778
   85    HG3  ARG  10           3HG      ARG  10  11.754  -2.029 -13.731
   86    HD2  ARG  10           2HD      ARG  10  10.470  -0.604 -15.444
   87    HD3  ARG  10           3HD      ARG  10  11.842  -0.903 -16.509
   88    HE   ARG  10           HE       ARG  10  11.078  -3.032 -16.819
   89   HH11  ARG  10          1HH1      ARG  10   9.589  -1.709 -13.965
   90   HH12  ARG  10          2HH1      ARG  10   8.520  -3.054 -13.740
   91   HH21  ARG  10          1HH2      ARG  10   9.676  -4.809 -16.534
   92   HH22  ARG  10          2HH2      ARG  10   8.571  -4.817 -15.201
   93    H    SER  11           H        SER  11  13.565   2.309 -11.923
   94    HA   SER  11           HA       SER  11  14.181   4.219 -13.964
   95    HB2  SER  11           2HB      SER  11  12.591   4.767 -12.189
   96    HB3  SER  11           3HB      SER  11  13.855   4.571 -10.974
   97    HG   SER  11           HG       SER  11  14.323   6.577 -11.326
   98    H    MET  12           H        MET  12  16.036   2.368 -11.802
   99    HA   MET  12           HA       MET  12  18.219   4.191 -11.481
  100    HB2  MET  12           2HB      MET  12  17.553   1.472 -10.648
  101    HB3  MET  12           3HB      MET  12  19.251   1.659 -11.065
  102    HG2  MET  12           2HG      MET  12  19.643   3.169  -9.372
  103    HG3  MET  12           3HG      MET  12  17.949   3.642  -9.261
  104    HE1  MET  12           3HE      MET  12  20.017  -0.063  -8.340
  105    HE2  MET  12           1HE      MET  12  20.730   1.546  -8.464
  106    HE3  MET  12           2HE      MET  12  20.325   0.881  -6.882
  107    H    PHE  13           H        PHE  13  17.119   2.364 -14.065
  108    HA   PHE  13           HA       PHE  13  19.738   1.861 -15.218
  109    HB2  PHE  13           2HB      PHE  13  16.983   0.997 -15.748
  110    HB3  PHE  13           3HB      PHE  13  17.923   1.311 -17.203
  111    HD1  PHE  13           HD1      PHE  13  18.551  -0.287 -13.885
  112    HD2  PHE  13           HD2      PHE  13  18.863  -0.558 -18.121
  113    HE1  PHE  13           HE1      PHE  13  19.621  -2.491 -13.661
  114    HE2  PHE  13           HE2      PHE  13  19.933  -2.762 -17.904
  115    HZ   PHE  13           HZ       PHE  13  20.313  -3.732 -15.673
  116    HA   PRO  14           HA       PRO  14  19.974   5.443 -17.745
  117    HB2  PRO  14           2HB      PRO  14  21.058   4.470 -20.036
  118    HB3  PRO  14           3HB      PRO  14  21.971   4.620 -18.530
  119    HG2  PRO  14           2HG      PRO  14  20.737   2.206 -19.766
  120    HG3  PRO  14           3HG      PRO  14  22.252   2.356 -18.857
  121    HD2  PRO  14           2HD      PRO  14  19.967   1.354 -17.805
  122    HD3  PRO  14           3HD      PRO  14  21.274   2.102 -16.865
  123    H    SER  15           H        SER  15  18.218   2.700 -18.989
  124    HA   SER  15           HA       SER  15  17.149   3.969 -21.298
  125    HB2  SER  15           2HB      SER  15  16.763   1.769 -21.622
  126    HB3  SER  15           3HB      SER  15  16.807   1.420 -19.894
  127    HG   SER  15           HG       SER  15  14.718   1.229 -21.208
  128    H    SER  16           H        SER  16  16.566   4.403 -18.018
  129    HA   SER  16           HA       SER  16  13.772   5.140 -18.296
  130    HB2  SER  16           2HB      SER  16  13.713   4.713 -16.098
  131    HB3  SER  16           3HB      SER  16  15.435   4.337 -16.150
  132    HG   SER  16           HG       SER  16  14.202   6.824 -15.594
  133    H    GLU  17           H        GLU  17  16.908   6.674 -18.072
  134    HA   GLU  17           HA       GLU  17  15.735   9.328 -17.868
  135    HB2  GLU  17           2HB      GLU  17  18.048   8.314 -16.891
  136    HB3  GLU  17           3HB      GLU  17  18.633   9.044 -18.379
  137    HG2  GLU  17           2HG      GLU  17  18.612  11.043 -17.443
  138    HG3  GLU  17           3HG      GLU  17  16.894  10.886 -17.080
  Start of MODEL   16
    1    H1   ARG   1           H        ARG   1   2.225   0.459   1.855
    2    HA   ARG   1           HA       ARG   1   2.645  -0.906  -0.619
    3    HB2  ARG   1           2HB      ARG   1   2.840   2.030   0.078
    4    HB3  ARG   1           3HB      ARG   1   2.892   1.381  -1.556
    5    HG2  ARG   1           2HG      ARG   1   0.654   0.794  -1.534
    6    HG3  ARG   1           3HG      ARG   1   0.571   0.785   0.229
    7    HD2  ARG   1           2HD      ARG   1   1.331   3.389  -0.572
    8    HD3  ARG   1           3HD      ARG   1  -0.025   2.903  -1.588
    9    HE   ARG   1           HE       ARG   1  -0.090   3.492   1.220
   10   HH11  ARG   1          1HH1      ARG   1  -1.628   1.732  -1.361
   11   HH12  ARG   1          2HH1      ARG   1  -3.168   1.663  -0.571
   12   HH21  ARG   1          1HH2      ARG   1  -2.113   3.408   2.270
   13   HH22  ARG   1          2HH2      ARG   1  -3.443   2.617   1.494
   14    H    SEP   2           H        SEP   2   4.634  -1.808   1.026
   15    HA   SEP   2           HA       SEP   2   7.050  -0.209   0.367
   16    HB2  SEP   2           2HB      SEP   2   7.443  -0.912   2.574
   17    HB3  SEP   2           3HB      SEP   2   6.374  -2.286   2.453
   18    H    LYS   3           H        LYS   3   5.167  -2.232  -1.206
   19    HA   LYS   3           HA       LYS   3   7.207  -3.886  -2.449
   20    HB2  LYS   3           2HB      LYS   3   5.408  -4.920  -3.659
   21    HB3  LYS   3           3HB      LYS   3   4.912  -4.752  -1.980
   22    HG2  LYS   3           2HG      LYS   3   3.809  -2.550  -2.790
   23    HG3  LYS   3           3HG      LYS   3   3.950  -3.278  -4.391
   24    HD2  LYS   3           2HD      LYS   3   2.611  -4.581  -2.022
   25    HD3  LYS   3           3HD      LYS   3   1.763  -3.707  -3.300
   26    HE2  LYS   3           2HE      LYS   3   3.417  -5.525  -4.623
   27    HE3  LYS   3           3HE      LYS   3   2.745  -6.421  -3.262
   28    HZ1  LYS   3           3HZ      LYS   3   0.689  -4.925  -4.424
   29    HZ2  LYS   3           1HZ      LYS   3   0.856  -6.607  -4.370
   30    HZ3  LYS   3           2HZ      LYS   3   1.496  -5.735  -5.670
   31    H    ASP   4           H        ASP   4   5.735  -0.842  -2.926
   32    HA   ASP   4           HA       ASP   4   6.087  -0.701  -5.767
   33    HB2  ASP   4           2HB      ASP   4   4.928   0.933  -3.707
   34    HB3  ASP   4           3HB      ASP   4   6.010   1.912  -4.692
   35    H    LEU   5           H        LEU   5   8.123  -0.309  -3.047
   36    HA   LEU   5           HA       LEU   5   9.983   1.552  -4.026
   37    HB2  LEU   5           2HB      LEU   5   9.895  -0.477  -1.903
   38    HB3  LEU   5           3HB      LEU   5  11.510  -0.091  -2.493
   39    HG   LEU   5           HG       LEU   5  10.287   2.381  -2.053
   40   HD11  LEU   5          1HD1      LEU   5   9.021   2.318  -0.206
   41   HD12  LEU   5          2HD1      LEU   5  10.009   1.071   0.553
   42   HD13  LEU   5          3HD1      LEU   5   8.780   0.623  -0.629
   43   HD21  LEU   5          3HD2      LEU   5  12.589   2.075  -1.668
   44   HD22  LEU   5          1HD2      LEU   5  12.308   0.748  -0.541
   45   HD23  LEU   5          2HD2      LEU   5  11.890   2.399  -0.081
   46    H    ARG   6           H        ARG   6   9.341  -1.679  -4.939
   47    HA   ARG   6           HA       ARG   6  11.940  -2.314  -5.952
   48    HB2  ARG   6           2HB      ARG   6   9.794  -3.819  -5.348
   49    HB3  ARG   6           3HB      ARG   6   9.553  -3.662  -7.083
   50    HG2  ARG   6           2HG      ARG   6  11.181  -5.106  -7.541
   51    HG3  ARG   6           3HG      ARG   6  12.292  -4.338  -6.405
   52    HD2  ARG   6           2HD      ARG   6  11.353  -5.557  -4.567
   53    HD3  ARG   6           3HD      ARG   6  10.063  -6.192  -5.587
   54    HE   ARG   6           HE       ARG   6  12.468  -6.988  -6.721
   55   HH11  ARG   6          1HH1      ARG   6  10.701  -7.490  -3.764
   56   HH12  ARG   6          2HH1      ARG   6  11.346  -9.075  -3.495
   57   HH21  ARG   6          1HH2      ARG   6  13.324  -9.074  -6.378
   58   HH22  ARG   6          2HH2      ARG   6  12.838  -9.975  -4.981
   59    H    HIS   7           H        HIS   7   9.370  -0.383  -7.052
   60    HA   HIS   7           HA       HIS   7   9.767  -0.698  -9.861
   61    HB2  HIS   7           2HB      HIS   7   7.815   0.441  -8.336
   62    HB3  HIS   7           3HB      HIS   7   8.664   1.869  -8.921
   63    HD1  HIS   7           HD1      HIS   7   7.848   2.712 -11.091
   64    HD2  HIS   7           HD2      HIS   7   7.114  -1.353 -10.645
   65    HE1  HIS   7           HE1      HIS   7   6.574   2.029 -13.149
   66    H    ALA   8           H        ALA   8  11.470   0.928  -7.409
   67    HA   ALA   8           HA       ALA   8  12.543   3.053  -8.999
   68    HB1  ALA   8           1HB      ALA   8  12.408   3.272  -6.588
   69    HB2  ALA   8           2HB      ALA   8  13.493   1.896  -6.380
   70    HB3  ALA   8           3HB      ALA   8  14.087   3.385  -7.116
   71    H    PHE   9           H        PHE   9  13.235  -0.281  -8.645
   72    HA   PHE   9           HA       PHE   9  15.989  -0.324  -9.185
   73    HB2  PHE   9           2HB      PHE   9  13.763  -2.258  -9.270
   74    HB3  PHE   9           3HB      PHE   9  15.122  -2.640 -10.323
   75    HD1  PHE   9           HD1      PHE   9  14.187  -1.913  -6.818
   76    HD2  PHE   9           HD2      PHE   9  17.110  -3.528  -9.457
   77    HE1  PHE   9           HE1      PHE   9  15.412  -2.833  -4.892
   78    HE2  PHE   9           HE2      PHE   9  18.339  -4.451  -7.536
   79    HZ   PHE   9           HZ       PHE   9  17.490  -4.105  -5.250
   80    H    ARG  10           H        ARG  10  13.219   0.088 -11.256
   81    HA   ARG  10           HA       ARG  10  14.697  -0.342 -13.696
   82    HB2  ARG  10           2HB      ARG  10  11.899   0.236 -12.952
   83    HB3  ARG  10           3HB      ARG  10  12.416   0.890 -14.499
   84    HG2  ARG  10           2HG      ARG  10  13.361  -1.718 -14.505
   85    HG3  ARG  10           3HG      ARG  10  11.761  -1.823 -13.768
   86    HD2  ARG  10           2HD      ARG  10  11.264  -0.149 -15.839
   87    HD3  ARG  10           3HD      ARG  10  12.542  -1.153 -16.524
   88    HE   ARG  10           HE       ARG  10  10.802  -2.939 -15.428
   89   HH11  ARG  10          1HH1      ARG  10  10.518  -0.341 -17.727
   90   HH12  ARG  10          2HH1      ARG  10   9.212  -1.078 -18.595
   91   HH21  ARG  10          1HH2      ARG  10   9.083  -3.920 -16.562
   92   HH22  ARG  10          2HH2      ARG  10   8.396  -3.113 -17.931
   93    H    SER  11           H        SER  11  13.711   2.365 -11.714
   94    HA   SER  11           HA       SER  11  14.254   4.400 -13.622
   95    HB2  SER  11           2HB      SER  11  12.828   4.626 -11.532
   96    HB3  SER  11           3HB      SER  11  14.334   4.717 -10.619
   97    HG   SER  11           HG       SER  11  13.950   6.788 -11.055
   98    H    MET  12           H        MET  12  16.234   2.472 -11.588
   99    HA   MET  12           HA       MET  12  18.444   4.246 -11.349
  100    HB2  MET  12           2HB      MET  12  17.761   1.810 -10.259
  101    HB3  MET  12           3HB      MET  12  19.091   1.390 -11.329
  102    HG2  MET  12           2HG      MET  12  20.612   2.674 -10.166
  103    HG3  MET  12           3HG      MET  12  19.362   3.695  -9.456
  104    HE1  MET  12           3HE      MET  12  21.715   0.931  -7.353
  105    HE2  MET  12           1HE      MET  12  21.928   2.232  -8.525
  106    HE3  MET  12           2HE      MET  12  21.355   2.597  -6.897
  107    H    PHE  13           H        PHE  13  17.295   2.171 -13.852
  108    HA   PHE  13           HA       PHE  13  19.814   1.985 -15.238
  109    HB2  PHE  13           2HB      PHE  13  17.040   1.024 -15.687
  110    HB3  PHE  13           3HB      PHE  13  18.045   1.245 -17.116
  111    HD1  PHE  13           HD2      PHE  13  18.063  -0.373 -13.767
  112    HD2  PHE  13           HD1      PHE  13  19.482  -0.437 -17.779
  113    HE1  PHE  13           HE2      PHE  13  19.120  -2.556 -13.354
  114    HE2  PHE  13           HE1      PHE  13  20.541  -2.621 -17.373
  115    HZ   PHE  13           HZ       PHE  13  20.362  -3.682 -15.157
  116    HA   PRO  14           HA       PRO  14  19.584   5.599 -17.721
  117    HB2  PRO  14           2HB      PRO  14  20.583   4.736 -20.094
  118    HB3  PRO  14           3HB      PRO  14  21.582   4.950 -18.651
  119    HG2  PRO  14           2HG      PRO  14  20.482   2.453 -19.841
  120    HG3  PRO  14           3HG      PRO  14  22.024   2.720 -19.007
  121    HD2  PRO  14           2HD      PRO  14  19.887   1.522 -17.842
  122    HD3  PRO  14           3HD      PRO  14  21.200   2.358 -16.989
  123    H    SER  15           H        SER  15  17.727   2.865 -18.538
  124    HA   SER  15           HA       SER  15  16.531   3.817 -20.937
  125    HB2  SER  15           2HB      SER  15  15.581   1.763 -18.927
  126    HB3  SER  15           3HB      SER  15  14.819   2.055 -20.491
  127    HG   SER  15           HG       SER  15  16.721   1.403 -21.498
  128    H    SER  16           H        SER  16  15.971   4.385 -17.567
  129    HA   SER  16           HA       SER  16  13.296   5.329 -17.782
  130    HB2  SER  16           2HB      SER  16  14.724   4.597 -15.678
  131    HB3  SER  16           3HB      SER  16  15.120   6.315 -15.626
  132    HG   SER  16           HG       SER  16  12.745   5.027 -15.073
  133    H    GLU  17           H        GLU  17  16.418   6.751 -18.299
  134    HA   GLU  17           HA       GLU  17  15.452   9.471 -18.220
  135    HB2  GLU  17           2HB      GLU  17  17.931   8.320 -17.931
  136    HB3  GLU  17           3HB      GLU  17  18.020   8.997 -19.551
  137    HG2  GLU  17           2HG      GLU  17  17.297  10.511 -17.052
  138    HG3  GLU  17           3HG      GLU  17  18.858  10.550 -17.871
  Start of MODEL   17
    1    H1   ARG   1           H        ARG   1   1.829  -1.423   0.509
    2    HA   ARG   1           HA       ARG   1   2.952  -0.243  -1.297
    3    HB2  ARG   1           2HB      ARG   1   3.002   0.722   1.456
    4    HB3  ARG   1           3HB      ARG   1   4.247   1.462   0.460
    5    HG2  ARG   1           2HG      ARG   1   1.739   1.402  -0.945
    6    HG3  ARG   1           3HG      ARG   1   1.558   2.178   0.630
    7    HD2  ARG   1           2HD      ARG   1   3.770   3.404  -0.085
    8    HD3  ARG   1           3HD      ARG   1   3.226   2.978  -1.707
    9    HE   ARG   1           HE       ARG   1   2.150   5.007  -0.022
   10   HH11  ARG   1          1HH1      ARG   1   1.319   2.681  -2.476
   11   HH12  ARG   1          2HH1      ARG   1  -0.049   3.578  -3.047
   12   HH21  ARG   1          1HH2      ARG   1   0.352   6.197  -0.765
   13   HH22  ARG   1          2HH2      ARG   1  -0.598   5.578  -2.073
   14    H    SEP   2           H        SEP   2   4.901  -2.069   0.879
   15    HA   SEP   2           HA       SEP   2   7.460  -1.017  -0.027
   16    HB2  SEP   2           2HB      SEP   2   7.975  -3.612   1.084
   17    HB3  SEP   2           3HB      SEP   2   8.070  -2.089   1.930
   18    H    LYS   3           H        LYS   3   5.122  -3.011  -1.348
   19    HA   LYS   3           HA       LYS   3   6.771  -4.666  -2.983
   20    HB2  LYS   3           2HB      LYS   3   4.655  -5.089  -4.239
   21    HB3  LYS   3           3HB      LYS   3   4.526  -5.380  -2.510
   22    HG2  LYS   3           2HG      LYS   3   2.822  -3.980  -2.377
   23    HG3  LYS   3           3HG      LYS   3   3.813  -2.674  -3.030
   24    HD2  LYS   3           2HD      LYS   3   2.112  -2.778  -4.583
   25    HD3  LYS   3           3HD      LYS   3   3.321  -3.832  -5.319
   26    HE2  LYS   3           2HE      LYS   3   2.057  -5.675  -5.053
   27    HE3  LYS   3           3HE      LYS   3   1.480  -5.171  -3.465
   28    HZ1  LYS   3           3HZ      LYS   3   0.424  -3.506  -5.510
   29    HZ2  LYS   3           1HZ      LYS   3  -0.395  -4.430  -4.354
   30    HZ3  LYS   3           2HZ      LYS   3   0.066  -5.130  -5.823
   31    H    ASP   4           H        ASP   4   5.464  -1.453  -3.269
   32    HA   ASP   4           HA       ASP   4   5.993  -1.239  -6.097
   33    HB2  ASP   4           2HB      ASP   4   4.601   0.300  -4.098
   34    HB3  ASP   4           3HB      ASP   4   5.702   1.340  -4.999
   35    H    LEU   5           H        LEU   5   7.756  -0.825  -3.193
   36    HA   LEU   5           HA       LEU   5   9.610   1.137  -3.956
   37    HB2  LEU   5           2HB      LEU   5   9.291  -0.778  -1.830
   38    HB3  LEU   5           3HB      LEU   5  10.976  -0.698  -2.343
   39    HG   LEU   5           HG       LEU   5  10.376   0.789  -0.422
   40   HD11  LEU   5          1HD1      LEU   5  12.097   2.055  -1.033
   41   HD12  LEU   5          2HD1      LEU   5  11.191   2.768  -2.367
   42   HD13  LEU   5          3HD1      LEU   5  12.039   1.240  -2.596
   43   HD21  LEU   5          3HD2      LEU   5   8.936   2.563  -0.615
   44   HD22  LEU   5          1HD2      LEU   5   8.127   1.377  -1.640
   45   HD23  LEU   5          2HD2      LEU   5   9.103   2.651  -2.369
   46    H    ARG   6           H        ARG   6   9.201  -2.092  -5.003
   47    HA   ARG   6           HA       ARG   6  11.907  -2.577  -5.800
   48    HB2  ARG   6           2HB      ARG   6   9.820  -4.208  -5.404
   49    HB3  ARG   6           3HB      ARG   6   9.672  -4.000  -7.144
   50    HG2  ARG   6           2HG      ARG   6  11.699  -5.028  -7.573
   51    HG3  ARG   6           3HG      ARG   6  12.302  -4.744  -5.938
   52    HD2  ARG   6           2HD      ARG   6  11.610  -6.765  -5.337
   53    HD3  ARG   6           3HD      ARG   6   9.952  -6.312  -5.730
   54    HE   ARG   6           HE       ARG   6  10.108  -7.556  -7.642
   55   HH11  ARG   6          1HH1      ARG   6  13.310  -6.964  -6.411
   56   HH12  ARG   6          2HH1      ARG   6  14.083  -8.020  -7.546
   57   HH21  ARG   6          1HH2      ARG   6  11.114  -8.949  -9.142
   58   HH22  ARG   6          2HH2      ARG   6  12.833  -9.148  -9.100
   59    H    HIS   7           H        HIS   7   9.315  -0.779  -7.092
   60    HA   HIS   7           HA       HIS   7  10.038  -0.980  -9.854
   61    HB2  HIS   7           2HB      HIS   7   8.242   0.885  -8.311
   62    HB3  HIS   7           3HB      HIS   7   8.535   1.085 -10.036
   63    HD1  HIS   7           HD1      HIS   7   8.168  -2.329  -8.543
   64    HD2  HIS   7           HD2      HIS   7   5.915   0.406 -10.712
   65    HE1  HIS   7           HE1      HIS   7   6.127  -3.589  -9.300
   66    H    ALA   8           H        ALA   8  11.279   0.723  -7.189
   67    HA   ALA   8           HA       ALA   8  12.278   3.012  -8.577
   68    HB1  ALA   8           1HB      ALA   8  13.568   2.052  -6.076
   69    HB2  ALA   8           2HB      ALA   8  13.130   3.689  -6.568
   70    HB3  ALA   8           3HB      ALA   8  11.884   2.574  -6.007
   71    H    PHE   9           H        PHE   9  13.199  -0.235  -8.499
   72    HA   PHE   9           HA       PHE   9  16.017   0.039  -8.717
   73    HB2  PHE   9           2HB      PHE   9  14.040  -2.141  -9.193
   74    HB3  PHE   9           3HB      PHE   9  15.642  -2.313  -9.902
   75    HD1  PHE   9           HD2      PHE   9  13.768  -2.014  -6.754
   76    HD2  PHE   9           HD1      PHE   9  17.549  -2.773  -8.556
   77    HE1  PHE   9           HE2      PHE   9  14.629  -2.828  -4.598
   78    HE2  PHE   9           HE1      PHE   9  18.415  -3.589  -6.402
   79    HZ   PHE   9           HZ       PHE   9  16.955  -3.617  -4.419
   80    H    ARG  10           H        ARG  10  13.433   0.558 -10.898
   81    HA   ARG  10           HA       ARG  10  15.045   0.214 -13.283
   82    HB2  ARG  10           2HB      ARG  10  12.258   1.351 -13.008
   83    HB3  ARG  10           3HB      ARG  10  13.040   0.849 -14.501
   84    HG2  ARG  10           2HG      ARG  10  13.181  -1.394 -12.888
   85    HG3  ARG  10           3HG      ARG  10  11.586  -0.717 -12.554
   86    HD2  ARG  10           2HD      ARG  10  11.292  -0.565 -15.073
   87    HD3  ARG  10           3HD      ARG  10  12.731  -1.576 -15.198
   88    HE   ARG  10           HE       ARG  10  10.795  -2.725 -13.459
   89   HH11  ARG  10          1HH1      ARG  10  11.583  -2.240 -16.815
   90   HH12  ARG  10          2HH1      ARG  10  10.724  -3.644 -17.355
   91   HH21  ARG  10          1HH2      ARG  10   9.660  -4.576 -14.158
   92   HH22  ARG  10          2HH2      ARG  10   9.629  -4.972 -15.843
   93    H    SER  11           H        SER  11  14.372   2.673 -11.032
   94    HA   SER  11           HA       SER  11  14.605   4.934 -12.741
   95    HB2  SER  11           2HB      SER  11  13.548   5.105 -10.539
   96    HB3  SER  11           3HB      SER  11  15.073   4.689  -9.759
   97    HG   SER  11           HG       SER  11  14.370   7.041 -11.144
   98    H    MET  12           H        MET  12  16.877   2.791 -11.274
   99    HA   MET  12           HA       MET  12  19.130   4.552 -11.393
  100    HB2  MET  12           2HB      MET  12  18.661   2.246 -10.076
  101    HB3  MET  12           3HB      MET  12  19.576   1.625 -11.443
  102    HG2  MET  12           2HG      MET  12  21.398   3.168 -10.922
  103    HG3  MET  12           3HG      MET  12  20.481   3.778  -9.547
  104    HE1  MET  12           3HE      MET  12  20.359   2.921  -7.415
  105    HE2  MET  12           1HE      MET  12  21.349   1.623  -6.746
  106    HE3  MET  12           2HE      MET  12  22.117   3.067  -7.406
  107    H    PHE  13           H        PHE  13  17.469   2.580 -13.652
  108    HA   PHE  13           HA       PHE  13  19.726   2.414 -15.479
  109    HB2  PHE  13           2HB      PHE  13  17.011   1.217 -15.333
  110    HB3  PHE  13           3HB      PHE  13  17.692   1.450 -16.940
  111    HD1  PHE  13           HD2      PHE  13  18.758   0.152 -13.606
  112    HD2  PHE  13           HD1      PHE  13  18.863  -0.299 -17.837
  113    HE1  PHE  13           HE2      PHE  13  20.060  -1.919 -13.350
  114    HE2  PHE  13           HE1      PHE  13  20.165  -2.372 -17.588
  115    HZ   PHE  13           HZ       PHE  13  20.767  -3.184 -15.342
  116    HA   PRO  14           HA       PRO  14  18.685   5.883 -17.963
  117    HB2  PRO  14           2HB      PRO  14  19.274   5.002 -20.463
  118    HB3  PRO  14           3HB      PRO  14  20.513   5.359 -19.254
  119    HG2  PRO  14           2HG      PRO  14  19.426   2.732 -20.134
  120    HG3  PRO  14           3HG      PRO  14  21.073   3.160 -19.634
  121    HD2  PRO  14           2HD      PRO  14  19.311   1.844 -18.046
  122    HD3  PRO  14           3HD      PRO  14  20.690   2.805 -17.475
  123    H    SER  15           H        SER  15  17.006   2.929 -18.416
  124    HA   SER  15           HA       SER  15  15.256   3.737 -20.507
  125    HB2  SER  15           2HB      SER  15  14.386   1.647 -20.328
  126    HB3  SER  15           3HB      SER  15  15.794   1.356 -19.306
  127    HG   SER  15           HG       SER  15  14.561   1.404 -17.557
  128    H    SER  16           H        SER  16  15.506   4.678 -17.293
  129    HA   SER  16           HA       SER  16  12.679   5.191 -16.893
  130    HB2  SER  16           2HB      SER  16  15.128   5.308 -15.236
  131    HB3  SER  16           3HB      SER  16  13.880   6.489 -14.840
  132    HG   SER  16           HG       SER  16  12.448   4.839 -14.468
  133    H    GLU  17           H        GLU  17  15.582   6.929 -17.783
  134    HA   GLU  17           HA       GLU  17  14.225   9.500 -17.671
  135    HB2  GLU  17           2HB      GLU  17  16.313  10.495 -17.974
  136    HB3  GLU  17           3HB      GLU  17  16.686   9.060 -17.030
  137    HG2  GLU  17           2HG      GLU  17  17.339   7.898 -19.097
  138    HG3  GLU  17           3HG      GLU  17  17.027   9.377 -20.004
  Start of MODEL   18
    1    H1   ARG   1           H        ARG   1   4.197   3.827  -0.844
    2    HA   ARG   1           HA       ARG   1   4.217   2.029   0.587
    3    HB2  ARG   1           2HB      ARG   1   3.102   1.368  -1.946
    4    HB3  ARG   1           3HB      ARG   1   3.956  -0.050  -1.350
    5    HG2  ARG   1           2HG      ARG   1   2.677   0.019   0.712
    6    HG3  ARG   1           3HG      ARG   1   1.852   1.481   0.166
    7    HD2  ARG   1           2HD      ARG   1   1.765  -1.161  -1.282
    8    HD3  ARG   1           3HD      ARG   1   0.538  -0.618  -0.138
    9    HE   ARG   1           HE       ARG   1   0.645   1.413  -1.907
   10   HH11  ARG   1          1HH1      ARG   1   0.304  -2.032  -2.272
   11   HH12  ARG   1          2HH1      ARG   1  -0.635  -1.917  -3.723
   12   HH21  ARG   1          1HH2      ARG   1  -0.591   1.578  -3.817
   13   HH22  ARG   1          2HH2      ARG   1  -1.143   0.137  -4.602
   14    H    SEP   2           H        SEP   2   5.111  -0.278   0.997
   15    HA   SEP   2           HA       SEP   2   8.011  -0.056   0.633
   16    HB2  SEP   2           2HB      SEP   2   7.423  -0.847   2.837
   17    HB3  SEP   2           3HB      SEP   2   6.184  -1.928   2.253
   18    H    LYS   3           H        LYS   3   5.386  -1.707  -0.829
   19    HA   LYS   3           HA       LYS   3   7.015  -3.627  -2.235
   20    HB2  LYS   3           2HB      LYS   3   4.125  -2.839  -2.648
   21    HB3  LYS   3           3HB      LYS   3   4.924  -4.218  -3.390
   22    HG2  LYS   3           2HG      LYS   3   5.413  -4.912  -0.929
   23    HG3  LYS   3           3HG      LYS   3   4.078  -3.818  -0.559
   24    HD2  LYS   3           2HD      LYS   3   3.840  -5.982  -2.632
   25    HD3  LYS   3           3HD      LYS   3   3.511  -6.282  -0.924
   26    HE2  LYS   3           2HE      LYS   3   2.165  -3.897  -1.757
   27    HE3  LYS   3           3HE      LYS   3   1.775  -5.209  -2.867
   28    HZ1  LYS   3           3HZ      LYS   3   0.763  -6.417  -1.233
   29    HZ2  LYS   3           1HZ      LYS   3   0.407  -4.853  -0.693
   30    HZ3  LYS   3           2HZ      LYS   3   1.669  -5.726   0.018
   31    H    ASP   4           H        ASP   4   5.734  -0.442  -2.806
   32    HA   ASP   4           HA       ASP   4   6.113  -0.442  -5.636
   33    HB2  ASP   4           2HB      ASP   4   5.076   1.352  -3.652
   34    HB3  ASP   4           3HB      ASP   4   6.232   2.215  -4.663
   35    H    LEU   5           H        LEU   5   8.194  -0.072  -2.946
   36    HA   LEU   5           HA       LEU   5  10.171   1.612  -3.995
   37    HB2  LEU   5           2HB      LEU   5  10.052  -0.460  -1.877
   38    HB3  LEU   5           3HB      LEU   5  11.648   0.030  -2.442
   39    HG   LEU   5           HG       LEU   5   9.630   2.040  -1.488
   40   HD11  LEU   5          1HD1      LEU   5  10.483   0.032   0.128
   41   HD12  LEU   5          2HD1      LEU   5  10.044   1.648   0.680
   42   HD13  LEU   5          3HD1      LEU   5  11.736   1.246   0.390
   43   HD21  LEU   5          3HD2      LEU   5  12.062   2.305  -2.727
   44   HD22  LEU   5          1HD2      LEU   5  12.478   2.458  -1.020
   45   HD23  LEU   5          2HD2      LEU   5  11.275   3.532  -1.734
   46    H    ARG   6           H        ARG   6   9.306  -1.604  -4.801
   47    HA   ARG   6           HA       ARG   6  11.842  -2.417  -5.851
   48    HB2  ARG   6           2HB      ARG   6   9.043  -3.495  -6.166
   49    HB3  ARG   6           3HB      ARG   6  10.433  -4.219  -6.962
   50    HG2  ARG   6           2HG      ARG   6  10.685  -3.789  -4.057
   51    HG3  ARG   6           3HG      ARG   6   9.513  -5.003  -4.572
   52    HD2  ARG   6           2HD      ARG   6  12.384  -4.919  -5.486
   53    HD3  ARG   6           3HD      ARG   6  11.803  -5.896  -4.138
   54    HE   ARG   6           HE       ARG   6  11.479  -6.439  -6.938
   55   HH11  ARG   6          1HH1      ARG   6  10.171  -6.975  -3.756
   56   HH12  ARG   6          2HH1      ARG   6   9.376  -8.452  -4.190
   57   HH21  ARG   6          1HH2      ARG   6  10.436  -8.383  -7.521
   58   HH22  ARG   6          2HH2      ARG   6   9.528  -9.253  -6.331
   59    H    HIS   7           H        HIS   7   9.255  -0.479  -6.989
   60    HA   HIS   7           HA       HIS   7   9.703  -0.873  -9.789
   61    HB2  HIS   7           2HB      HIS   7   7.589   0.041  -8.554
   62    HB3  HIS   7           3HB      HIS   7   8.417   1.591  -8.659
   63    HD1  HIS   7           HD1      HIS   7   8.602   2.680 -10.979
   64    HD2  HIS   7           HD2      HIS   7   6.663  -0.994 -10.999
   65    HE1  HIS   7           HE1      HIS   7   7.530   2.498 -13.247
   66    H    ALA   8           H        ALA   8  11.284   0.889  -7.349
   67    HA   ALA   8           HA       ALA   8  12.274   3.054  -8.906
   68    HB1  ALA   8           1HB      ALA   8  14.095   2.502  -6.824
   69    HB2  ALA   8           2HB      ALA   8  12.843   3.743  -6.877
   70    HB3  ALA   8           3HB      ALA   8  12.480   2.153  -6.206
   71    H    PHE   9           H        PHE   9  13.059  -0.260  -8.755
   72    HA   PHE   9           HA       PHE   9  15.811  -0.154  -9.389
   73    HB2  PHE   9           2HB      PHE   9  13.718  -2.190  -9.255
   74    HB3  PHE   9           3HB      PHE   9  14.893  -2.500 -10.528
   75    HD1  PHE   9           HD1      PHE   9  15.186  -1.095  -7.085
   76    HD2  PHE   9           HD2      PHE   9  16.378  -4.108  -9.844
   77    HE1  PHE   9           HE1      PHE   9  16.749  -2.002  -5.415
   78    HE2  PHE   9           HE2      PHE   9  17.942  -5.021  -8.179
   79    HZ   PHE   9           HZ       PHE   9  18.128  -3.968  -5.960
   80    H    ARG  10           H        ARG  10  12.963   0.356 -11.254
   81    HA   ARG  10           HA       ARG  10  14.217  -0.134 -13.807
   82    HB2  ARG  10           2HB      ARG  10  11.546   0.306 -12.830
   83    HB3  ARG  10           3HB      ARG  10  11.876   1.398 -14.169
   84    HG2  ARG  10           2HG      ARG  10  12.827  -0.869 -15.221
   85    HG3  ARG  10           3HG      ARG  10  11.608  -1.540 -14.135
   86    HD2  ARG  10           2HD      ARG  10  10.055  -1.052 -15.645
   87    HD3  ARG  10           3HD      ARG  10  10.408   0.659 -15.406
   88    HE   ARG  10           HE       ARG  10  12.223  -0.605 -17.222
   89   HH11  ARG  10          1HH1      ARG  10   9.084   0.871 -16.924
   90   HH12  ARG  10          2HH1      ARG  10   8.996   1.328 -18.593
   91   HH21  ARG  10          1HH2      ARG  10  12.120  -0.008 -19.422
   92   HH22  ARG  10          2HH2      ARG  10  10.723   0.827 -20.013
   93    H    SER  11           H        SER  11  13.567   2.599 -11.725
   94    HA   SER  11           HA       SER  11  14.161   4.596 -13.687
   95    HB2  SER  11           2HB      SER  11  12.756   4.891 -11.567
   96    HB3  SER  11           3HB      SER  11  14.287   4.980 -10.697
   97    HG   SER  11           HG       SER  11  13.476   6.670 -12.830
   98    H    MET  12           H        MET  12  16.042   2.516 -11.765
   99    HA   MET  12           HA       MET  12  18.346   4.183 -11.483
  100    HB2  MET  12           2HB      MET  12  17.898   1.216 -11.197
  101    HB3  MET  12           3HB      MET  12  19.481   1.953 -10.985
  102    HG2  MET  12           2HG      MET  12  18.701   3.250  -9.134
  103    HG3  MET  12           3HG      MET  12  17.040   2.731  -9.412
  104    HE1  MET  12           3HE      MET  12  17.980   2.037  -6.249
  105    HE2  MET  12           1HE      MET  12  19.546   1.230  -6.334
  106    HE3  MET  12           2HE      MET  12  19.316   2.793  -7.118
  107    H    PHE  13           H        PHE  13  17.075   2.169 -13.981
  108    HA   PHE  13           HA       PHE  13  19.548   1.786 -15.378
  109    HB2  PHE  13           2HB      PHE  13  16.671   1.219 -15.921
  110    HB3  PHE  13           3HB      PHE  13  17.774   1.274 -17.292
  111    HD1  PHE  13           HD2      PHE  13  20.157   0.020 -16.515
  112    HD2  PHE  13           HD1      PHE  13  16.189  -0.926 -15.298
  113    HE1  PHE  13           HE2      PHE  13  20.855  -2.292 -16.044
  114    HE2  PHE  13           HE1      PHE  13  16.882  -3.239 -14.825
  115    HZ   PHE  13           HZ       PHE  13  19.217  -3.925 -15.199
  116    HA   PRO  14           HA       PRO  14  19.701   5.484 -17.751
  117    HB2  PRO  14           2HB      PRO  14  20.791   4.613 -20.075
  118    HB3  PRO  14           3HB      PRO  14  21.703   4.697 -18.564
  119    HG2  PRO  14           2HG      PRO  14  20.520   2.341 -19.932
  120    HG3  PRO  14           3HG      PRO  14  21.988   2.452 -18.943
  121    HD2  PRO  14           2HD      PRO  14  19.589   1.430 -18.109
  122    HD3  PRO  14           3HD      PRO  14  20.907   1.969 -17.049
  123    H    SER  15           H        SER  15  17.893   2.802 -18.999
  124    HA   SER  15           HA       SER  15  16.841   4.088 -21.308
  125    HB2  SER  15           2HB      SER  15  16.284   1.945 -21.670
  126    HB3  SER  15           3HB      SER  15  16.550   1.533 -19.976
  127    HG   SER  15           HG       SER  15  14.210   2.078 -21.314
  128    H    SER  16           H        SER  16  15.892   3.930 -17.944
  129    HA   SER  16           HA       SER  16  13.278   5.018 -18.325
  130    HB2  SER  16           2HB      SER  16  14.830   3.995 -16.138
  131    HB3  SER  16           3HB      SER  16  14.152   5.558 -15.684
  132    HG   SER  16           HG       SER  16  12.917   3.186 -15.906
  133    H    GLU  17           H        GLU  17  16.453   6.339 -18.023
  134    HA   GLU  17           HA       GLU  17  15.628   8.968 -17.224
  135    HB2  GLU  17           2HB      GLU  17  18.220   7.840 -18.267
  136    HB3  GLU  17           3HB      GLU  17  18.011   9.553 -17.932
  137    HG2  GLU  17           2HG      GLU  17  17.448   7.470 -15.855
  138    HG3  GLU  17           3HG      GLU  17  19.074   8.096 -16.128
  Start of MODEL   19
    1    H1   ARG   1           H        ARG   1   1.984  -0.483   0.426
    2    HA   ARG   1           HA       ARG   1   2.923   0.960  -1.887
    3    HB2  ARG   1           2HB      ARG   1   3.216   1.483   1.075
    4    HB3  ARG   1           3HB      ARG   1   3.798   2.568  -0.180
    5    HG2  ARG   1           2HG      ARG   1   1.570   2.974  -0.954
    6    HG3  ARG   1           3HG      ARG   1   0.923   1.738   0.127
    7    HD2  ARG   1           2HD      ARG   1   0.558   3.412   1.561
    8    HD3  ARG   1           3HD      ARG   1   2.299   3.385   1.839
    9    HE   ARG   1           HE       ARG   1   1.556   5.018  -0.391
   10   HH11  ARG   1          1HH1      ARG   1   1.862   4.927   3.075
   11   HH12  ARG   1          2HH1      ARG   1   2.067   6.640   3.233
   12   HH21  ARG   1          1HH2      ARG   1   1.825   7.275  -0.197
   13   HH22  ARG   1          2HH2      ARG   1   2.045   7.975   1.371
   14    H    SEP   2           H        SEP   2   4.215  -1.308   0.423
   15    HA   SEP   2           HA       SEP   2   7.003  -0.560  -0.146
   16    HB2  SEP   2           2HB      SEP   2   7.034  -3.100   1.206
   17    HB3  SEP   2           3HB      SEP   2   7.268  -1.532   1.935
   18    H    LYS   3           H        LYS   3   4.616  -2.213  -1.705
   19    HA   LYS   3           HA       LYS   3   6.332  -4.137  -3.040
   20    HB2  LYS   3           2HB      LYS   3   3.532  -3.854  -2.604
   21    HB3  LYS   3           3HB      LYS   3   3.806  -3.875  -4.341
   22    HG2  LYS   3           2HG      LYS   3   5.104  -5.932  -2.613
   23    HG3  LYS   3           3HG      LYS   3   3.404  -6.096  -3.061
   24    HD2  LYS   3           2HD      LYS   3   3.880  -6.504  -5.245
   25    HD3  LYS   3           3HD      LYS   3   5.304  -5.461  -5.241
   26    HE2  LYS   3           2HE      LYS   3   6.601  -7.250  -5.032
   27    HE3  LYS   3           3HE      LYS   3   5.826  -7.626  -3.494
   28    HZ1  LYS   3           3HZ      LYS   3   5.680  -9.063  -5.869
   29    HZ2  LYS   3           1HZ      LYS   3   4.140  -8.413  -5.606
   30    HZ3  LYS   3           2HZ      LYS   3   4.866  -9.375  -4.419
   31    H    ASP   4           H        ASP   4   5.048  -0.960  -3.565
   32    HA   ASP   4           HA       ASP   4   5.563  -0.931  -6.398
   33    HB2  ASP   4           2HB      ASP   4   4.225   0.754  -4.496
   34    HB3  ASP   4           3HB      ASP   4   5.373   1.718  -5.421
   35    H    LEU   5           H        LEU   5   7.382  -0.404  -3.548
   36    HA   LEU   5           HA       LEU   5   9.285   1.449  -4.444
   37    HB2  LEU   5           2HB      LEU   5   8.853  -0.111  -2.158
   38    HB3  LEU   5           3HB      LEU   5  10.463  -0.542  -2.732
   39    HG   LEU   5           HG       LEU   5   9.646   2.317  -2.290
   40   HD11  LEU   5          1HD1      LEU   5  10.781   2.136  -0.094
   41   HD12  LEU   5          2HD1      LEU   5  10.821   0.385  -0.298
   42   HD13  LEU   5          3HD1      LEU   5   9.274   1.224  -0.185
   43   HD21  LEU   5          3HD2      LEU   5  11.773   1.375  -3.583
   44   HD22  LEU   5          1HD2      LEU   5  12.401   1.283  -1.937
   45   HD23  LEU   5          2HD2      LEU   5  11.840   2.826  -2.582
   46    H    ARG   6           H        ARG   6   8.759  -1.819  -5.307
   47    HA   ARG   6           HA       ARG   6  11.434  -2.429  -6.122
   48    HB2  ARG   6           2HB      ARG   6   8.909  -3.768  -7.088
   49    HB3  ARG   6           3HB      ARG   6  10.531  -4.445  -7.026
   50    HG2  ARG   6           2HG      ARG   6  10.465  -4.434  -4.597
   51    HG3  ARG   6           3HG      ARG   6   8.859  -3.704  -4.634
   52    HD2  ARG   6           2HD      ARG   6   7.972  -5.737  -4.722
   53    HD3  ARG   6           3HD      ARG   6   8.750  -5.982  -6.285
   54    HE   ARG   6           HE       ARG   6  10.224  -7.392  -5.267
   55   HH11  ARG   6          1HH1      ARG   6   8.768  -5.363  -2.841
   56   HH12  ARG   6          2HH1      ARG   6   9.514  -6.191  -1.514
   57   HH21  ARG   6          1HH2      ARG   6  11.212  -8.490  -3.529
   58   HH22  ARG   6          2HH2      ARG   6  10.905  -7.969  -1.907
   59    H    HIS   7           H        HIS   7   8.894  -0.601  -7.456
   60    HA   HIS   7           HA       HIS   7   9.496  -0.988 -10.219
   61    HB2  HIS   7           2HB      HIS   7   7.952   1.146  -8.744
   62    HB3  HIS   7           3HB      HIS   7   8.130   1.131 -10.496
   63    HD1  HIS   7           HD1      HIS   7   5.373   0.862  -9.055
   64    HD2  HIS   7           HD2      HIS   7   7.657  -2.311 -10.463
   65    HE1  HIS   7           HE1      HIS   7   3.752  -1.027  -9.413
   66    H    ALA   8           H        ALA   8  10.981   0.755  -7.709
   67    HA   ALA   8           HA       ALA   8  12.100   2.869  -9.279
   68    HB1  ALA   8           1HB      ALA   8  13.552   3.235  -7.301
   69    HB2  ALA   8           2HB      ALA   8  11.832   3.189  -6.912
   70    HB3  ALA   8           3HB      ALA   8  12.853   1.793  -6.566
   71    H    PHE   9           H        PHE   9  12.769  -0.430  -9.001
   72    HA   PHE   9           HA       PHE   9  15.583  -0.426  -9.296
   73    HB2  PHE   9           2HB      PHE   9  14.159  -2.388  -8.592
   74    HB3  PHE   9           3HB      PHE   9  13.679  -2.556 -10.277
   75    HD1  PHE   9           HD2      PHE   9  16.902  -2.025  -8.464
   76    HD2  PHE   9           HD1      PHE   9  14.728  -4.283 -11.344
   77    HE1  PHE   9           HE2      PHE   9  18.898  -3.398  -8.889
   78    HE2  PHE   9           HE1      PHE   9  16.721  -5.661 -11.773
   79    HZ   PHE   9           HZ       PHE   9  18.810  -5.218 -10.546
   80    H    ARG  10           H        ARG  10  12.964   0.040 -11.514
   81    HA   ARG  10           HA       ARG  10  14.653  -0.349 -13.850
   82    HB2  ARG  10           2HB      ARG  10  11.890  -0.543 -13.349
   83    HB3  ARG  10           3HB      ARG  10  12.087   0.820 -14.442
   84    HG2  ARG  10           2HG      ARG  10  11.754  -1.059 -15.810
   85    HG3  ARG  10           3HG      ARG  10  13.483  -0.712 -15.890
   86    HD2  ARG  10           2HD      ARG  10  13.597  -2.410 -13.896
   87    HD3  ARG  10           3HD      ARG  10  12.051  -2.956 -14.543
   88    HE   ARG  10           HE       ARG  10  13.784  -2.841 -16.687
   89   HH11  ARG  10          1HH1      ARG  10  13.592  -4.537 -13.653
   90   HH12  ARG  10          2HH1      ARG  10  14.441  -5.933 -14.230
   91   HH21  ARG  10          1HH2      ARG  10  14.903  -4.673 -17.459
   92   HH22  ARG  10          2HH2      ARG  10  15.187  -6.008 -16.395
   93    H    SER  11           H        SER  11  13.385   2.217 -11.886
   94    HA   SER  11           HA       SER  11  13.815   4.318 -13.775
   95    HB2  SER  11           2HB      SER  11  12.393   4.160 -11.481
   96    HB3  SER  11           3HB      SER  11  13.841   4.971 -10.884
   97    HG   SER  11           HG       SER  11  13.206   6.719 -11.847
   98    H    MET  12           H        MET  12  15.757   2.703 -11.381
   99    HA   MET  12           HA       MET  12  17.774   4.613 -11.025
  100    HB2  MET  12           2HB      MET  12  17.782   1.605 -10.855
  101    HB3  MET  12           3HB      MET  12  19.214   2.563 -10.505
  102    HG2  MET  12           2HG      MET  12  18.312   3.465  -8.591
  103    HG3  MET  12           3HG      MET  12  16.653   3.189  -9.117
  104    HE1  MET  12           3HE      MET  12  18.610   0.971  -5.999
  105    HE2  MET  12           1HE      MET  12  18.967   2.552  -6.695
  106    HE3  MET  12           2HE      MET  12  17.381   2.237  -5.992
  107    H    PHE  13           H        PHE  13  17.038   2.567 -13.695
  108    HA   PHE  13           HA       PHE  13  19.662   2.682 -14.877
  109    HB2  PHE  13           2HB      PHE  13  17.013   1.549 -15.649
  110    HB3  PHE  13           3HB      PHE  13  18.181   1.863 -16.928
  111    HD1  PHE  13           HD2      PHE  13  20.706   1.106 -15.977
  112    HD2  PHE  13           HD1      PHE  13  16.940  -0.663 -15.083
  113    HE1  PHE  13           HE2      PHE  13  21.830  -1.023 -15.472
  114    HE2  PHE  13           HE1      PHE  13  18.058  -2.795 -14.575
  115    HZ   PHE  13           HZ       PHE  13  20.506  -2.977 -14.771
  116    HA   PRO  14           HA       PRO  14  19.225   6.389 -17.201
  117    HB2  PRO  14           2HB      PRO  14  20.642   5.810 -19.441
  118    HB3  PRO  14           3HB      PRO  14  21.400   6.057 -17.863
  119    HG2  PRO  14           2HG      PRO  14  20.857   3.533 -19.327
  120    HG3  PRO  14           3HG      PRO  14  22.175   3.928 -18.209
  121    HD2  PRO  14           2HD      PRO  14  19.980   2.408 -17.600
  122    HD3  PRO  14           3HD      PRO  14  21.075   3.180 -16.435
  123    H    SER  15           H        SER  15  18.015   3.445 -18.511
  124    HA   SER  15           HA       SER  15  16.954   4.478 -20.941
  125    HB2  SER  15           2HB      SER  15  16.958   1.947 -19.522
  126    HB3  SER  15           3HB      SER  15  15.372   2.290 -20.213
  127    HG   SER  15           HG       SER  15  17.833   1.907 -21.492
  128    H    SER  16           H        SER  16  16.087   4.929 -17.728
  129    HA   SER  16           HA       SER  16  13.247   5.130 -18.074
  130    HB2  SER  16           2HB      SER  16  14.573   4.679 -15.890
  131    HB3  SER  16           3HB      SER  16  14.774   6.430 -15.831
  132    HG   SER  16           HG       SER  16  12.925   6.101 -14.752
  133    H    GLU  17           H        GLU  17  15.929   7.181 -18.649
  134    HA   GLU  17           HA       GLU  17  14.347   9.621 -18.575
  135    HB2  GLU  17           2HB      GLU  17  17.249   9.004 -19.009
  136    HB3  GLU  17           3HB      GLU  17  16.603  10.570 -19.476
  137    HG2  GLU  17           2HG      GLU  17  16.179  11.199 -17.306
  138    HG3  GLU  17           3HG      GLU  17  16.089   9.535 -16.730
  Start of MODEL   20
    1    H1   ARG   1           H        ARG   1   1.272  -2.003  -0.130
    2    HA   ARG   1           HA       ARG   1   2.437  -0.312  -2.022
    3    HB2  ARG   1           2HB      ARG   1   0.955   0.327  -0.061
    4    HB3  ARG   1           3HB      ARG   1   2.391   0.210   0.948
    5    HG2  ARG   1           2HG      ARG   1   2.802   2.332   0.470
    6    HG3  ARG   1           3HG      ARG   1   3.143   1.831  -1.188
    7    HD2  ARG   1           2HD      ARG   1   1.486   3.645  -1.081
    8    HD3  ARG   1           3HD      ARG   1   0.828   2.178  -1.804
    9    HE   ARG   1           HE       ARG   1   0.305   2.268   0.985
   10   HH11  ARG   1          1HH1      ARG   1  -0.713   3.599  -2.066
   11   HH12  ARG   1          2HH1      ARG   1  -2.332   3.916  -1.536
   12   HH21  ARG   1          1HH2      ARG   1  -1.823   2.680   1.695
   13   HH22  ARG   1          2HH2      ARG   1  -2.962   3.394   0.604
   14    H    SEP   2           H        SEP   2   3.866  -2.346   0.431
   15    HA   SEP   2           HA       SEP   2   6.426  -0.917   0.402
   16    HB2  SEP   2           2HB      SEP   2   5.610  -3.631   1.671
   17    HB3  SEP   2           3HB      SEP   2   7.217  -2.968   1.820
   18    H    LYS   3           H        LYS   3   4.833  -3.023  -1.620
   19    HA   LYS   3           HA       LYS   3   7.190  -4.273  -2.748
   20    HB2  LYS   3           2HB      LYS   3   5.672  -5.379  -4.258
   21    HB3  LYS   3           3HB      LYS   3   5.002  -5.451  -2.634
   22    HG2  LYS   3           2HG      LYS   3   3.510  -3.583  -3.175
   23    HG3  LYS   3           3HG      LYS   3   4.168  -3.546  -4.813
   24    HD2  LYS   3           2HD      LYS   3   3.268  -6.197  -4.001
   25    HD3  LYS   3           3HD      LYS   3   1.978  -4.993  -3.981
   26    HE2  LYS   3           2HE      LYS   3   3.810  -5.129  -6.331
   27    HE3  LYS   3           3HE      LYS   3   2.536  -6.336  -6.166
   28    HZ1  LYS   3           3HZ      LYS   3   1.218  -4.037  -5.693
   29    HZ2  LYS   3           1HZ      LYS   3   1.283  -4.818  -7.193
   30    HZ3  LYS   3           2HZ      LYS   3   2.344  -3.544  -6.855
   31    H    ASP   4           H        ASP   4   5.525  -1.347  -3.108
   32    HA   ASP   4           HA       ASP   4   6.006  -0.895  -5.884
   33    HB2  ASP   4           2HB      ASP   4   4.740   0.492  -3.711
   34    HB3  ASP   4           3HB      ASP   4   5.834   1.592  -4.545
   35    H    LEU   5           H        LEU   5   7.949  -0.739  -3.073
   36    HA   LEU   5           HA       LEU   5   9.796   1.246  -3.828
   37    HB2  LEU   5           2HB      LEU   5   9.867  -1.092  -1.971
   38    HB3  LEU   5           3HB      LEU   5  11.352  -0.209  -2.319
   39    HG   LEU   5           HG       LEU   5   8.874   1.124  -1.249
   40   HD11  LEU   5          1HD1      LEU   5  11.074   0.725   0.618
   41   HD12  LEU   5          2HD1      LEU   5  10.298  -0.778   0.121
   42   HD13  LEU   5          3HD1      LEU   5   9.338   0.511   0.845
   43   HD21  LEU   5          3HD2      LEU   5  11.711   1.919  -1.728
   44   HD22  LEU   5          1HD2      LEU   5  10.797   2.681  -0.426
   45   HD23  LEU   5          2HD2      LEU   5  10.221   2.792  -2.089
   46    H    ARG   6           H        ARG   6   9.246  -1.899  -5.026
   47    HA   ARG   6           HA       ARG   6  11.899  -2.427  -5.962
   48    HB2  ARG   6           2HB      ARG   6   9.631  -3.938  -5.646
   49    HB3  ARG   6           3HB      ARG   6   9.696  -3.739  -7.392
   50    HG2  ARG   6           2HG      ARG   6  10.944  -5.618  -7.204
   51    HG3  ARG   6           3HG      ARG   6  12.226  -4.424  -6.996
   52    HD2  ARG   6           2HD      ARG   6  12.008  -4.617  -4.566
   53    HD3  ARG   6           3HD      ARG   6  10.726  -5.809  -4.777
   54    HE   ARG   6           HE       ARG   6  12.912  -6.774  -6.159
   55   HH11  ARG   6          1HH1      ARG   6  12.142  -5.925  -2.871
   56   HH12  ARG   6          2HH1      ARG   6  13.235  -7.078  -2.180
   57   HH21  ARG   6          1HH2      ARG   6  14.355  -8.296  -5.260
   58   HH22  ARG   6          2HH2      ARG   6  14.494  -8.425  -3.540
   59    H    HIS   7           H        HIS   7   9.374  -0.419  -7.010
   60    HA   HIS   7           HA       HIS   7   9.862  -0.507  -9.816
   61    HB2  HIS   7           2HB      HIS   7   7.730   0.291  -8.976
   62    HB3  HIS   7           3HB      HIS   7   8.526   1.592  -8.097
   63    HD1  HIS   7           HD1      HIS   7   7.964   3.705  -9.240
   64    HD2  HIS   7           HD2      HIS   7   8.761   0.655 -11.946
   65    HE1  HIS   7           HE1      HIS   7   7.821   4.770 -11.513
   66    H    ALA   8           H        ALA   8  11.517   0.888  -7.195
   67    HA   ALA   8           HA       ALA   8  12.677   3.107  -8.583
   68    HB1  ALA   8           1HB      ALA   8  13.665   1.755  -6.076
   69    HB2  ALA   8           2HB      ALA   8  14.068   3.377  -6.641
   70    HB3  ALA   8           3HB      ALA   8  12.425   3.009  -6.117
   71    H    PHE   9           H        PHE   9  13.328  -0.262  -8.409
   72    HA   PHE   9           HA       PHE   9  16.102  -0.220  -8.969
   73    HB2  PHE   9           2HB      PHE   9  13.958  -2.224  -8.885
   74    HB3  PHE   9           3HB      PHE   9  15.223  -2.582 -10.055
   75    HD1  PHE   9           HD2      PHE   9  17.686  -2.162  -9.069
   76    HD2  PHE   9           HD1      PHE   9  14.216  -3.088  -6.785
   77    HE1  PHE   9           HE2      PHE   9  19.112  -3.030  -7.262
   78    HE2  PHE   9           HE1      PHE   9  15.637  -3.957  -4.973
   79    HZ   PHE   9           HZ       PHE   9  18.088  -3.930  -5.211
   80    H    ARG  10           H        ARG  10  13.279   0.186 -10.929
   81    HA   ARG  10           HA       ARG  10  14.670  -0.289 -13.422
   82    HB2  ARG  10           2HB      ARG  10  12.115  -0.628 -12.810
   83    HB3  ARG  10           3HB      ARG  10  12.008   1.054 -13.310
   84    HG2  ARG  10           2HG      ARG  10  12.636   0.570 -15.502
   85    HG3  ARG  10           3HG      ARG  10  13.304  -1.002 -15.059
   86    HD2  ARG  10           2HD      ARG  10  10.676  -1.199 -14.271
   87    HD3  ARG  10           3HD      ARG  10  10.573  -0.251 -15.754
   88    HE   ARG  10           HE       ARG  10  12.251  -2.407 -16.264
   89   HH11  ARG  10          1HH1      ARG  10   8.918  -1.840 -15.434
   90   HH12  ARG  10          2HH1      ARG  10   8.339  -3.258 -16.243
   91   HH21  ARG  10          1HH2      ARG  10  11.501  -4.277 -17.333
   92   HH22  ARG  10          2HH2      ARG  10   9.809  -4.644 -17.323
   93    H    SER  11           H        SER  11  13.747   2.414 -11.418
   94    HA   SER  11           HA       SER  11  14.084   4.464 -13.333
   95    HB2  SER  11           2HB      SER  11  12.998   4.530 -10.956
   96    HB3  SER  11           3HB      SER  11  14.636   4.897 -10.414
   97    HG   SER  11           HG       SER  11  13.879   6.379 -12.576
   98    H    MET  12           H        MET  12  16.316   2.548 -11.554
   99    HA   MET  12           HA       MET  12  18.522   4.354 -11.628
  100    HB2  MET  12           2HB      MET  12  18.165   2.275 -10.126
  101    HB3  MET  12           3HB      MET  12  18.793   1.364 -11.492
  102    HG2  MET  12           2HG      MET  12  20.875   2.541 -11.399
  103    HG3  MET  12           3HG      MET  12  20.250   3.638 -10.170
  104    HE1  MET  12           3HE      MET  12  22.840   0.504  -9.928
  105    HE2  MET  12           1HE      MET  12  22.783   2.219 -10.341
  106    HE3  MET  12           2HE      MET  12  23.083   1.723  -8.675
  107    H    PHE  13           H        PHE  13  17.050   2.289 -13.928
  108    HA   PHE  13           HA       PHE  13  19.374   1.928 -15.582
  109    HB2  PHE  13           2HB      PHE  13  16.478   1.241 -15.777
  110    HB3  PHE  13           3HB      PHE  13  17.415   1.302 -17.267
  111    HD1  PHE  13           HD2      PHE  13  19.919   0.158 -16.742
  112    HD2  PHE  13           HD1      PHE  13  16.157  -0.904 -15.058
  113    HE1  PHE  13           HE2      PHE  13  20.758  -2.113 -16.307
  114    HE2  PHE  13           HE1      PHE  13  16.990  -3.176 -14.619
  115    HZ   PHE  13           HZ       PHE  13  19.294  -3.784 -15.244
  116    HA   PRO  14           HA       PRO  14  19.107   5.567 -18.035
  117    HB2  PRO  14           2HB      PRO  14  19.959   4.679 -20.449
  118    HB3  PRO  14           3HB      PRO  14  21.034   4.834 -19.054
  119    HG2  PRO  14           2HG      PRO  14  19.791   2.403 -20.227
  120    HG3  PRO  14           3HG      PRO  14  21.361   2.591 -19.425
  121    HD2  PRO  14           2HD      PRO  14  19.116   1.504 -18.291
  122    HD3  PRO  14           3HD      PRO  14  20.525   2.119 -17.402
  123    H    SER  15           H        SER  15  17.047   2.966 -18.640
  124    HA   SER  15           HA       SER  15  15.785   3.925 -21.018
  125    HB2  SER  15           2HB      SER  15  15.598   1.616 -19.332
  126    HB3  SER  15           3HB      SER  15  13.982   2.283 -19.562
  127    HG   SER  15           HG       SER  15  15.062   0.730 -21.203
  128    H    SER  16           H        SER  16  15.299   4.376 -17.582
  129    HA   SER  16           HA       SER  16  12.774   5.748 -17.955
  130    HB2  SER  16           2HB      SER  16  13.058   4.375 -15.961
  131    HB3  SER  16           3HB      SER  16  14.467   5.321 -15.480
  132    HG   SER  16           HG       SER  16  13.199   6.958 -14.903
  133    H    GLU  17           H        GLU  17  16.046   6.540 -18.098
  134    HA   GLU  17           HA       GLU  17  15.730   9.281 -17.201
  135    HB2  GLU  17           2HB      GLU  17  17.895   7.507 -17.440
  136    HB3  GLU  17           3HB      GLU  17  18.194   8.777 -18.618
  137    HG2  GLU  17           2HG      GLU  17  18.934  10.088 -17.005
  138    HG3  GLU  17           3HG      GLU  17  17.349  10.032 -16.236