*HEADER    MEMBRANE PROTEIN, SIGNALING PROTEIN     06-FEB-15   2MZ3              
*TITLE     PHOSPHORYLATION OF CB1CANNABINOID RECEPTOR FOURTH INTRACELLULAR LOOP  
*TITLE    2 PEPDUCINS: EFFECTS ON STRUCTURE AND FUNCTION                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CANNABINOID RECEPTOR 1;                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 400-414;                                          
*COMPND   5 SYNONYM: CB-R, CB1, CANN6;                                           
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CUSTOM SYNTHESIS                                      
*KEYWDS    PHOSPHORYLATION, PROTEIN KINASE C, G PROTEIN COUPLED RECEPTOR,        
*KEYWDS   2 BRADYKININ, MEMBRANE PROTEIN, SIGNALING PROTEIN                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.GANJIWALE, K.ELDEEB, I.CHANDRASHEKARAN, A.HOWLETT, S.COWSIK         
*REVDAT   1   17-FEB-16 2MZ3    0                                                


2   SER  PHI  -90.0   -70.0
3  LYS  PHI   -90.0   -70.0
4  ASP  PHI   -90.0     -70.0
5  LEU  PHI   -75.0   -55.0
6  ARG  PHI   -75.0    -55.0
7 HIS   PHI   -75.0    -55.0
8  ALA PHI   -75.0   -55.0
9  PHE  PHI   -75.0    -55.0
10 ARG  PHI   -75.0   -55.0
11 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 SEP  PHI   -90.0    -70.0
16 SER  PHI   -90.0    -70.0
17 GLU  PHI   -90.0     -70.0
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

 1 ARG  HA      2 SER  H       3.50
 1 ARG  QB      3 LYS  H       4.50
 2 SER  H       3 LYS  H       2.80
 2 SER  HA      3 LYS  H       3.50
 2 SER  QB      3 LYS  H       4.00
 3 LYS  H       4 ASP  H       2.80
 3 LYS  HA      4 ASP  H       3.50
 3 LYS  HA      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  HA     11 SER  H       4.20
 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  H      12 MET  H       4.20
10 ARG  HA     12 MET  H       4.20
10 ARG  HA     13 PHE  H       4.50
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 SEP  H       4.20
14 PROO  QD    13 PHE  H      4.50
14 PROO  HA    15 SEP  H       3.50
14 PROO  QB    15 SEP  H       4.00
14 PROO  CD    14 PROO  CG       1.5
14 PROO  CD    14 PROO  CB      2.40
14 PROO  CD    14 PROO HG2     2.13
14 PROO  CG    14 PROO N      2.34
14 PROO  CG    14 PROO  HD2    2.13
15 SEP  H      16 SER  H       2.80
15 SEP  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

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           H        ARG   1   1.807   0.001   0.855
    2    HA   ARG   1           HA       ARG   1   3.086   0.361  -1.020
    3    HB2  ARG   1           2HB      ARG   1   1.202  -1.765  -2.058
    4    HB3  ARG   1           3HB      ARG   1   2.799  -1.398  -2.697
    5    HG2  ARG   1           2HG      ARG   1   2.501  -2.165   0.170
    6    HG3  ARG   1           3HG      ARG   1   2.462  -3.407  -1.083
    7    HD2  ARG   1           2HD      ARG   1   4.700  -3.385  -0.697
    8    HD3  ARG   1           3HD      ARG   1   4.627  -2.094  -1.896
    9    HE   ARG   1           HE       ARG   1   4.321  -0.762   0.425
   10   HH11  ARG   1          1HH1      ARG   1   6.643  -3.119  -0.658
   11   HH12  ARG   1          2HH1      ARG   1   7.929  -2.493   0.319
   12   HH21  ARG   1          1HH2      ARG   1   6.007   0.072   1.716
   13   HH22  ARG   1          2HH2      ARG   1   7.567  -0.678   1.670
   14    H    SER   2           H        SER   2   3.055   0.759  -3.458
   15    HA   SER   2           HA       SER   2   1.296   2.940  -3.967
   16    HB2  SER   2           2HB      SER   2   3.304   1.506  -5.714
   17    HB3  SER   2           3HB      SER   2   2.397   2.924  -6.241
   18    HG   SER   2           HG       SER   2   4.567   3.259  -5.269
   19    H    LYS   3           H        LYS   3   1.263  -0.440  -4.733
   20    HA   LYS   3           HA       LYS   3  -0.746  -0.189  -6.797
   21    HB2  LYS   3           2HB      LYS   3  -0.650  -2.588  -6.947
   22    HB3  LYS   3           3HB      LYS   3   0.994  -1.975  -6.828
   23    HG2  LYS   3           2HG      LYS   3   0.962  -2.513  -4.406
   24    HG3  LYS   3           3HG      LYS   3  -0.625  -3.252  -4.635
   25    HD2  LYS   3           2HD      LYS   3   0.425  -4.748  -6.353
   26    HD3  LYS   3           3HD      LYS   3   1.993  -4.102  -5.865
   27    HE2  LYS   3           2HE      LYS   3   1.535  -4.859  -3.553
   28    HE3  LYS   3           3HE      LYS   3   0.032  -5.586  -4.118
   29    HZ1  LYS   3           3HZ      LYS   3   1.652  -6.751  -5.788
   30    HZ2  LYS   3           1HZ      LYS   3   1.430  -7.365  -4.227
   31    HZ3  LYS   3           2HZ      LYS   3   2.797  -6.435  -4.584
   32    H    ASP   4           H        ASP   4  -0.604  -0.848  -3.375
   33    HA   ASP   4           HA       ASP   4  -3.256  -1.871  -3.133
   34    HB2  ASP   4           2HB      ASP   4  -1.016  -1.374  -1.397
   35    HB3  ASP   4           3HB      ASP   4  -2.485  -0.726  -0.671
   36    H    LEU   5           H        LEU   5  -1.922   1.272  -3.439
   37    HA   LEU   5           HA       LEU   5  -3.800   2.826  -2.076
   38    HB2  LEU   5           2HB      LEU   5  -1.572   3.389  -3.419
   39    HB3  LEU   5           3HB      LEU   5  -2.742   3.816  -4.665
   40    HG   LEU   5           HG       LEU   5  -3.767   5.172  -2.571
   41   HD11  LEU   5          1HD1      LEU   5  -2.346   5.461  -0.898
   42   HD12  LEU   5          2HD1      LEU   5  -1.136   6.100  -2.010
   43   HD13  LEU   5          3HD1      LEU   5  -1.206   4.368  -1.683
   44   HD21  LEU   5          3HD2      LEU   5  -3.158   7.047  -3.726
   45   HD22  LEU   5          1HD2      LEU   5  -2.879   5.825  -4.967
   46   HD23  LEU   5          2HD2      LEU   5  -1.522   6.463  -4.036
   47    H    ARG   6           H        ARG   6  -4.088   1.007  -4.974
   48    HA   ARG   6           HA       ARG   6  -6.264   2.466  -6.116
   49    HB2  ARG   6           2HB      ARG   6  -4.806  -0.031  -6.691
   50    HB3  ARG   6           3HB      ARG   6  -6.492  -0.026  -7.189
   51    HG2  ARG   6           2HG      ARG   6  -5.196   0.699  -9.038
   52    HG3  ARG   6           3HG      ARG   6  -6.043   2.111  -8.402
   53    HD2  ARG   6           2HD      ARG   6  -4.081   2.937  -7.368
   54    HD3  ARG   6           3HD      ARG   6  -3.228   1.412  -7.607
   55    HE   ARG   6           HE       ARG   6  -3.932   2.386 -10.119
   56   HH11  ARG   6          1HH1      ARG   6  -1.893   3.282  -7.442
   57   HH12  ARG   6          2HH1      ARG   6  -0.744   4.122  -8.430
   58   HH21  ARG   6          1HH2      ARG   6  -2.426   3.490 -11.429
   59   HH22  ARG   6          2HH2      ARG   6  -1.049   4.241 -10.697
   60    H    HIS   7           H        HIS   7  -5.961   0.110  -3.631
   61    HA   HIS   7           HA       HIS   7  -8.634  -0.902  -3.764
   62    HB2  HIS   7           2HB      HIS   7  -6.586  -2.020  -2.688
   63    HB3  HIS   7           3HB      HIS   7  -6.877  -0.953  -1.318
   64    HD1  HIS   7           HD1      HIS   7  -7.563  -2.773   0.314
   65    HD2  HIS   7           HD2      HIS   7  -9.827  -2.758  -3.170
   66    HE1  HIS   7           HE1      HIS   7  -9.478  -4.343   0.750
   67    H    ALA   8           H        ALA   8  -7.179   1.924  -2.488
   68    HA   ALA   8           HA       ALA   8  -9.039   2.486  -0.416
   69    HB1  ALA   8           1HB      ALA   8  -8.092   4.700  -0.392
   70    HB2  ALA   8           2HB      ALA   8  -6.795   3.519  -0.583
   71    HB3  ALA   8           3HB      ALA   8  -7.358   4.444  -1.975
   72    H    PHE   9           H        PHE   9  -9.097   2.868  -3.856
   73    HA   PHE   9           HA       PHE   9 -11.029   4.908  -4.062
   74    HB2  PHE   9           2HB      PHE   9  -9.995   2.777  -5.879
   75    HB3  PHE   9           3HB      PHE   9 -11.478   3.612  -6.331
   76    HD1  PHE   9           HD2      PHE   9  -7.928   4.170  -5.426
   77    HD2  PHE   9           HD1      PHE   9 -11.407   5.719  -7.326
   78    HE1  PHE   9           HE2      PHE   9  -6.598   6.028  -6.338
   79    HE2  PHE   9           HE1      PHE   9 -10.082   7.579  -8.243
   80    HZ   PHE   9           HZ       PHE   9  -7.675   7.736  -7.748
   81    H    ARG  10           H        ARG  10 -11.266   1.529  -3.341
   82    HA   ARG  10           HA       ARG  10 -14.012   1.192  -3.996
   83    HB2  ARG  10           2HB      ARG  10 -12.049  -0.539  -3.438
   84    HB3  ARG  10           3HB      ARG  10 -12.791  -0.456  -1.846
   85    HG2  ARG  10           2HG      ARG  10 -13.815  -2.271  -2.908
   86    HG3  ARG  10           3HG      ARG  10 -14.991  -0.959  -3.010
   87    HD2  ARG  10           2HD      ARG  10 -14.438  -0.540  -5.290
   88    HD3  ARG  10           3HD      ARG  10 -13.046  -1.618  -5.211
   89    HE   ARG  10           HE       ARG  10 -15.372  -3.068  -4.594
   90   HH11  ARG  10          1HH1      ARG  10 -13.814  -1.505  -7.287
   91   HH12  ARG  10          2HH1      ARG  10 -14.516  -2.556  -8.471
   92   HH21  ARG  10          1HH2      ARG  10 -16.302  -4.459  -6.144
   93   HH22  ARG  10          2HH2      ARG  10 -15.931  -4.236  -7.821
   94    H    SER  11           H        SER  11 -12.299   2.367  -1.196
   95    HA   SER  11           HA       SER  11 -14.250   2.107   0.768
   96    HB2  SER  11           2HB      SER  11 -12.021   2.807   1.361
   97    HB3  SER  11           3HB      SER  11 -12.164   4.263   0.376
   98    HG   SER  11           HG       SER  11 -13.328   3.661   2.856
   99    H    MET  12           H        MET  12 -14.056   4.287  -1.923
  100    HA   MET  12           HA       MET  12 -15.955   6.185  -0.934
  101    HB2  MET  12           2HB      MET  12 -14.431   5.755  -3.413
  102    HB3  MET  12           3HB      MET  12 -16.006   6.503  -3.647
  103    HG2  MET  12           2HG      MET  12 -15.051   8.438  -3.164
  104    HG3  MET  12           3HG      MET  12 -14.913   7.871  -1.501
  105    HE1  MET  12           3HE      MET  12 -11.918   7.322  -4.816
  106    HE2  MET  12           1HE      MET  12 -13.585   7.891  -4.912
  107    HE3  MET  12           2HE      MET  12 -12.284   9.031  -4.571
  108    H    PHE  13           H        PHE  13 -16.128   3.156  -2.604
  109    HA   PHE  13           HA       PHE  13 -18.796   3.506  -3.595
  110    HB2  PHE  13           2HB      PHE  13 -16.764   1.366  -3.591
  111    HB3  PHE  13           3HB      PHE  13 -18.434   0.808  -3.587
  112    HD1  PHE  13           HD2      PHE  13 -16.812   3.728  -5.237
  113    HD2  PHE  13           HD1      PHE  13 -18.933   0.068  -5.707
  114    HE1  PHE  13           HE2      PHE  13 -16.943   4.119  -7.663
  115    HE2  PHE  13           HE1      PHE  13 -19.068   0.453  -8.133
  116    HZ   PHE  13           HZ       PHE  13 -18.073   2.482  -9.114
  117    HA   PRO  14           HA       PRO  14 -21.166   2.253  -0.117
  118    HB2  PRO  14           2HB      PRO  14 -23.155   0.803  -1.261
  119    HB3  PRO  14           3HB      PRO  14 -23.031   2.559  -1.423
  120    HG2  PRO  14           2HG      PRO  14 -22.283   0.419  -3.358
  121    HG3  PRO  14           3HG      PRO  14 -22.992   2.015  -3.664
  122    HD2  PRO  14           2HD      PRO  14 -20.369   1.415  -4.039
  123    HD3  PRO  14           3HD      PRO  14 -21.002   3.044  -3.726
  124    H    SEP  15           H        SEP  15 -19.755  -0.181  -2.169
  125    HA   SEP  15           HA       SEP  15 -20.629  -2.453  -0.580
  126    HB2  SEP  15           2HB      SEP  15 -18.576  -2.092  -2.849
  127    HB3  SEP  15           3HB      SEP  15 -18.565  -3.582  -1.939
  128    H    SER  16           H        SER  16 -17.863  -0.324  -0.590
  129    HA   SER  16           HA       SER  16 -16.569  -1.765   1.570
  130    HB2  SER  16           2HB      SER  16 -15.269  -0.673  -0.276
  131    HB3  SER  16           3HB      SER  16 -15.789   0.892   0.349
  132    HG   SER  16           HG       SER  16 -13.666  -0.145   1.069
  133    H    GLU  17           H        GLU  17 -18.642   0.977   1.124
  134    HA   GLU  17           HA       GLU  17 -18.153   2.017   3.790
  135    HB2  GLU  17           2HB      GLU  17 -19.542   2.932   1.367
  136    HB3  GLU  17           3HB      GLU  17 -20.352   3.359   2.868
  137    HG2  GLU  17           2HG      GLU  17 -17.443   3.919   2.392
  138    HG3  GLU  17           3HG      GLU  17 -18.718   5.044   1.927
  Start of MODEL    2
    1    H1   ARG   1           H        ARG   1   3.822   2.286  -0.798
    2    HA   ARG   1           HA       ARG   1   2.601  -0.070  -1.309
    3    HB2  ARG   1           2HB      ARG   1   1.035   1.448   0.781
    4    HB3  ARG   1           3HB      ARG   1   0.345   0.174  -0.216
    5    HG2  ARG   1           2HG      ARG   1   1.055  -1.335   1.232
    6    HG3  ARG   1           3HG      ARG   1   2.722  -0.840   0.931
    7    HD2  ARG   1           2HD      ARG   1   2.520   0.893   2.639
    8    HD3  ARG   1           3HD      ARG   1   0.847   0.421   2.929
    9    HE   ARG   1           HE       ARG   1   1.592  -1.378   4.148
   10   HH11  ARG   1          1HH1      ARG   1   4.250   0.026   2.392
   11   HH12  ARG   1          2HH1      ARG   1   5.456  -0.913   3.209
   12   HH21  ARG   1          1HH2      ARG   1   3.169  -2.620   5.231
   13   HH22  ARG   1          2HH2      ARG   1   4.840  -2.418   4.823
   14    H    SER   2           H        SER   2   3.146   1.390  -3.179
   15    HA   SER   2           HA       SER   2   1.219   3.464  -3.781
   16    HB2  SER   2           2HB      SER   2   2.569   4.003  -5.626
   17    HB3  SER   2           3HB      SER   2   3.727   3.449  -4.416
   18    HG   SER   2           HG       SER   2   4.265   1.901  -5.717
   19    H    LYS   3           H        LYS   3   1.750   0.117  -4.530
   20    HA   LYS   3           HA       LYS   3  -0.100   0.086  -6.751
   21    HB2  LYS   3           2HB      LYS   3   1.940  -1.618  -5.775
   22    HB3  LYS   3           3HB      LYS   3   0.441  -2.535  -5.718
   23    HG2  LYS   3           2HG      LYS   3   0.178  -1.547  -8.162
   24    HG3  LYS   3           3HG      LYS   3   1.939  -1.482  -8.048
   25    HD2  LYS   3           2HD      LYS   3   1.788  -3.916  -7.261
   26    HD3  LYS   3           3HD      LYS   3   0.130  -3.875  -7.866
   27    HE2  LYS   3           2HE      LYS   3   2.039  -2.795  -9.772
   28    HE3  LYS   3           3HE      LYS   3   2.402  -4.462  -9.330
   29    HZ1  LYS   3           3HZ      LYS   3  -0.375  -4.129  -9.795
   30    HZ2  LYS   3           1HZ      LYS   3   0.717  -5.172 -10.557
   31    HZ3  LYS   3           2HZ      LYS   3   0.509  -3.597 -11.136
   32    H    ASP   4           H        ASP   4  -0.141  -0.582  -3.327
   33    HA   ASP   4           HA       ASP   4  -2.688  -1.914  -3.362
   34    HB2  ASP   4           2HB      ASP   4  -0.606  -1.416  -1.445
   35    HB3  ASP   4           3HB      ASP   4  -2.159  -0.938  -0.764
   36    H    LEU   5           H        LEU   5  -1.604   1.337  -3.305
   37    HA   LEU   5           HA       LEU   5  -3.682   2.611  -1.942
   38    HB2  LEU   5           2HB      LEU   5  -1.432   3.463  -3.081
   39    HB3  LEU   5           3HB      LEU   5  -2.559   3.912  -4.359
   40    HG   LEU   5           HG       LEU   5  -3.847   5.059  -2.369
   41   HD11  LEU   5          1HD1      LEU   5  -2.120   6.055  -0.808
   42   HD12  LEU   5          2HD1      LEU   5  -1.035   4.774  -1.348
   43   HD13  LEU   5          3HD1      LEU   5  -2.544   4.365  -0.533
   44   HD21  LEU   5          3HD2      LEU   5  -1.861   5.900  -4.273
   45   HD22  LEU   5          1HD2      LEU   5  -1.782   6.890  -2.816
   46   HD23  LEU   5          2HD2      LEU   5  -3.300   6.747  -3.704
   47    H    ARG   6           H        ARG   6  -3.644   1.047  -4.999
   48    HA   ARG   6           HA       ARG   6  -5.861   2.432  -6.155
   49    HB2  ARG   6           2HB      ARG   6  -4.208   0.070  -6.830
   50    HB3  ARG   6           3HB      ARG   6  -5.839   0.085  -7.488
   51    HG2  ARG   6           2HG      ARG   6  -5.238   1.508  -9.072
   52    HG3  ARG   6           3HG      ARG   6  -4.615   2.645  -7.876
   53    HD2  ARG   6           2HD      ARG   6  -2.469   1.743  -7.958
   54    HD3  ARG   6           3HD      ARG   6  -3.031   0.230  -8.669
   55    HE   ARG   6           HE       ARG   6  -2.348   2.652 -10.058
   56   HH11  ARG   6          1HH1      ARG   6  -4.193  -0.297 -10.184
   57   HH12  ARG   6          2HH1      ARG   6  -4.258  -0.336 -11.915
   58   HH21  ARG   6          1HH2      ARG   6  -2.427   2.612 -12.337
   59   HH22  ARG   6          2HH2      ARG   6  -3.252   1.319 -13.139
   60    H    HIS   7           H        HIS   7  -5.514  -0.111  -3.867
   61    HA   HIS   7           HA       HIS   7  -8.082  -1.307  -4.267
   62    HB2  HIS   7           2HB      HIS   7  -5.893  -2.202  -3.054
   63    HB3  HIS   7           3HB      HIS   7  -6.681  -1.505  -1.641
   64    HD1  HIS   7           HD1      HIS   7  -7.116  -4.205  -4.220
   65    HD2  HIS   7           HD2      HIS   7  -8.844  -2.931  -0.663
   66    HE1  HIS   7           HE1      HIS   7  -8.700  -6.039  -3.547
   67    H    ALA   8           H        ALA   8  -6.940   1.491  -2.653
   68    HA   ALA   8           HA       ALA   8  -8.947   1.718  -0.661
   69    HB1  ALA   8           1HB      ALA   8  -8.270   4.213  -0.819
   70    HB2  ALA   8           2HB      ALA   8  -7.087   3.035  -0.249
   71    HB3  ALA   8           3HB      ALA   8  -7.012   3.629  -1.908
   72    H    PHE   9           H        PHE   9  -8.869   2.391  -4.055
   73    HA   PHE   9           HA       PHE   9 -10.852   4.314  -4.314
   74    HB2  PHE   9           2HB      PHE   9  -9.424   2.580  -6.037
   75    HB3  PHE   9           3HB      PHE   9 -11.133   2.377  -6.412
   76    HD1  PHE   9           HD1      PHE   9 -12.321   4.929  -6.167
   77    HD2  PHE   9           HD2      PHE   9  -8.418   3.958  -7.561
   78    HE1  PHE   9           HE1      PHE   9 -12.278   7.007  -7.485
   79    HE2  PHE   9           HE2      PHE   9  -8.369   6.034  -8.880
   80    HZ   PHE   9           HZ       PHE   9 -10.300   7.562  -8.843
   81    H    ARG  10           H        ARG  10 -11.113   0.894  -3.658
   82    HA   ARG  10           HA       ARG  10 -13.904   0.676  -4.192
   83    HB2  ARG  10           2HB      ARG  10 -11.833  -1.094  -3.629
   84    HB3  ARG  10           3HB      ARG  10 -12.895  -1.221  -2.232
   85    HG2  ARG  10           2HG      ARG  10 -14.689  -1.317  -4.265
   86    HG3  ARG  10           3HG      ARG  10 -13.292  -2.111  -4.994
   87    HD2  ARG  10           2HD      ARG  10 -13.172  -3.546  -2.928
   88    HD3  ARG  10           3HD      ARG  10 -14.728  -2.863  -2.456
   89    HE   ARG  10           HE       ARG  10 -14.741  -3.979  -5.097
   90   HH11  ARG  10          1HH1      ARG  10 -15.058  -4.696  -1.704
   91   HH12  ARG  10          2HH1      ARG  10 -16.006  -6.123  -1.961
   92   HH21  ARG  10          1HH2      ARG  10 -15.989  -5.856  -5.447
   93   HH22  ARG  10          2HH2      ARG  10 -16.534  -6.783  -4.090
   94    H    SER  11           H        SER  11 -11.985   1.521  -1.390
   95    HA   SER  11           HA       SER  11 -13.987   1.251   0.573
   96    HB2  SER  11           2HB      SER  11 -12.461   2.158   2.025
   97    HB3  SER  11           3HB      SER  11 -11.363   1.740   0.710
   98    HG   SER  11           HG       SER  11 -11.346   3.990   1.651
   99    H    MET  12           H        MET  12 -13.352   3.696  -1.800
  100    HA   MET  12           HA       MET  12 -14.892   5.760  -0.552
  101    HB2  MET  12           2HB      MET  12 -13.607   5.373  -3.220
  102    HB3  MET  12           3HB      MET  12 -14.826   6.628  -3.047
  103    HG2  MET  12           2HG      MET  12 -13.212   7.961  -2.335
  104    HG3  MET  12           3HG      MET  12 -13.163   6.992  -0.864
  105    HE1  MET  12           3HE      MET  12  -9.811   8.263  -2.351
  106    HE2  MET  12           1HE      MET  12 -11.104   8.528  -1.182
  107    HE3  MET  12           2HE      MET  12  -9.797   7.404  -0.810
  108    H    PHE  13           H        PHE  13 -15.578   3.066  -2.616
  109    HA   PHE  13           HA       PHE  13 -18.066   3.989  -3.635
  110    HB2  PHE  13           2HB      PHE  13 -16.592   1.415  -3.574
  111    HB3  PHE  13           3HB      PHE  13 -18.336   1.315  -3.789
  112    HD1  PHE  13           HD2      PHE  13 -15.349   3.078  -5.141
  113    HD2  PHE  13           HD1      PHE  13 -19.228   1.502  -5.907
  114    HE1  PHE  13           HE2      PHE  13 -15.077   3.582  -7.533
  115    HE2  PHE  13           HE1      PHE  13 -18.962   2.002  -8.301
  116    HZ   PHE  13           HZ       PHE  13 -16.885   3.045  -9.117
  117    HA   PRO  14           HA       PRO  14 -20.849   3.170  -0.339
  118    HB2  PRO  14           2HB      PRO  14 -23.037   2.235  -1.644
  119    HB3  PRO  14           3HB      PRO  14 -22.523   3.925  -1.721
  120    HG2  PRO  14           2HG      PRO  14 -22.153   1.737  -3.711
  121    HG3  PRO  14           3HG      PRO  14 -22.473   3.461  -3.979
  122    HD2  PRO  14           2HD      PRO  14 -20.024   2.311  -4.251
  123    HD3  PRO  14           3HD      PRO  14 -20.311   4.027  -3.896
  124    H    SEP  15           H        SEP  15 -19.875   0.559  -2.423
  125    HA   SEP  15           HA       SEP  15 -21.320  -1.521  -0.995
  126    HB2  SEP  15           2HB      SEP  15 -19.965  -1.430  -3.468
  127    HB3  SEP  15           3HB      SEP  15 -18.833  -2.358  -2.517
  128    H    SER  16           H        SER  16 -18.187  -0.018  -0.727
  129    HA   SER  16           HA       SER  16 -17.392  -1.784   1.445
  130    HB2  SER  16           2HB      SER  16 -15.986   0.551   0.129
  131    HB3  SER  16           3HB      SER  16 -15.296  -0.418   1.431
  132    HG   SER  16           HG       SER  16 -14.855  -1.934   0.045
  133    H    GLU  17           H        GLU  17 -18.728   1.376   0.951
  134    HA   GLU  17           HA       GLU  17 -18.195   2.216   3.683
  135    HB2  GLU  17           2HB      GLU  17 -19.170   3.503   1.208
  136    HB3  GLU  17           3HB      GLU  17 -19.856   4.121   2.704
  137    HG2  GLU  17           2HG      GLU  17 -16.924   3.786   2.636
  138    HG3  GLU  17           3HG      GLU  17 -17.604   5.059   1.624
  Start of MODEL    3
    1    H1   ARG   1           H        ARG   1   1.044   2.495   1.177
    2    HA   ARG   1           HA       ARG   1   2.924   1.371  -0.123
    3    HB2  ARG   1           2HB      ARG   1   1.426  -0.831   0.589
    4    HB3  ARG   1           3HB      ARG   1   1.016  -0.616  -1.108
    5    HG2  ARG   1           2HG      ARG   1   3.117  -1.116  -1.826
    6    HG3  ARG   1           3HG      ARG   1   3.882  -0.517  -0.353
    7    HD2  ARG   1           2HD      ARG   1   2.529  -2.571   0.684
    8    HD3  ARG   1           3HD      ARG   1   2.734  -3.180  -0.958
    9    HE   ARG   1           HE       ARG   1   5.173  -2.192   0.163
   10   HH11  ARG   1          1HH1      ARG   1   3.025  -4.930   0.037
   11   HH12  ARG   1          2HH1      ARG   1   4.262  -6.083   0.413
   12   HH21  ARG   1          1HH2      ARG   1   6.810  -3.701   0.659
   13   HH22  ARG   1          2HH2      ARG   1   6.415  -5.383   0.767
   14    H    SER   2           H        SER   2   2.967   1.579  -2.426
   15    HA   SER   2           HA       SER   2   1.087   3.501  -3.396
   16    HB2  SER   2           2HB      SER   2   2.972   2.126  -5.256
   17    HB3  SER   2           3HB      SER   2   2.554   3.835  -5.141
   18    HG   SER   2           HG       SER   2   4.713   3.218  -4.388
   19    H    LYS   3           H        LYS   3   1.514   0.062  -3.728
   20    HA   LYS   3           HA       LYS   3  -0.329  -0.173  -5.941
   21    HB2  LYS   3           2HB      LYS   3   1.064  -2.207  -4.200
   22    HB3  LYS   3           3HB      LYS   3  -0.066  -2.651  -5.472
   23    HG2  LYS   3           2HG      LYS   3   1.349  -1.726  -7.154
   24    HG3  LYS   3           3HG      LYS   3   2.413  -1.012  -5.940
   25    HD2  LYS   3           2HD      LYS   3   3.400  -3.014  -5.430
   26    HD3  LYS   3           3HD      LYS   3   1.970  -3.953  -5.865
   27    HE2  LYS   3           2HE      LYS   3   3.426  -2.476  -8.004
   28    HE3  LYS   3           3HE      LYS   3   4.129  -3.965  -7.375
   29    HZ1  LYS   3           3HZ      LYS   3   2.387  -3.916  -9.367
   30    HZ2  LYS   3           1HZ      LYS   3   1.307  -4.064  -8.073
   31    HZ3  LYS   3           2HZ      LYS   3   2.519  -5.221  -8.298
   32    H    ASP   4           H        ASP   4  -0.419  -0.394  -2.465
   33    HA   ASP   4           HA       ASP   4  -2.954  -1.705  -2.304
   34    HB2  ASP   4           2HB      ASP   4  -0.943  -0.737  -0.467
   35    HB3  ASP   4           3HB      ASP   4  -2.552  -0.265   0.073
   36    H    LEU   5           H        LEU   5  -1.936   1.522  -2.860
   37    HA   LEU   5           HA       LEU   5  -4.075   2.984  -1.817
   38    HB2  LEU   5           2HB      LEU   5  -1.827   3.473  -3.445
   39    HB3  LEU   5           3HB      LEU   5  -3.226   4.102  -4.313
   40    HG   LEU   5           HG       LEU   5  -2.218   5.866  -3.022
   41   HD11  LEU   5          1HD1      LEU   5  -4.688   5.774  -3.215
   42   HD12  LEU   5          2HD1      LEU   5  -4.126   6.615  -1.772
   43   HD13  LEU   5          3HD1      LEU   5  -4.746   4.969  -1.647
   44   HD21  LEU   5          3HD2      LEU   5  -1.377   5.626  -0.969
   45   HD22  LEU   5          1HD2      LEU   5  -1.586   3.892  -1.211
   46   HD23  LEU   5          2HD2      LEU   5  -2.830   4.821  -0.374
   47    H    ARG   6           H        ARG   6  -3.925   0.856  -4.509
   48    HA   ARG   6           HA       ARG   6  -6.138   1.934  -5.961
   49    HB2  ARG   6           2HB      ARG   6  -4.193   0.234  -6.645
   50    HB3  ARG   6           3HB      ARG   6  -5.428  -0.942  -6.216
   51    HG2  ARG   6           2HG      ARG   6  -6.370  -0.677  -8.196
   52    HG3  ARG   6           3HG      ARG   6  -6.643   1.031  -7.845
   53    HD2  ARG   6           2HD      ARG   6  -3.929   0.166  -8.710
   54    HD3  ARG   6           3HD      ARG   6  -5.207   0.265  -9.920
   55    HE   ARG   6           HE       ARG   6  -3.904   2.458  -8.584
   56   HH11  ARG   6          1HH1      ARG   6  -6.737   1.417 -10.319
   57   HH12  ARG   6          2HH1      ARG   6  -7.166   3.013 -10.837
   58   HH21  ARG   6          1HH2      ARG   6  -4.458   4.564  -9.260
   59   HH22  ARG   6          2HH2      ARG   6  -5.869   4.803 -10.235
   60    H    HIS   7           H        HIS   7  -5.800  -0.105  -3.214
   61    HA   HIS   7           HA       HIS   7  -8.335  -1.418  -3.429
   62    HB2  HIS   7           2HB      HIS   7  -6.473  -1.057  -1.073
   63    HB3  HIS   7           3HB      HIS   7  -7.908  -2.078  -1.063
   64    HD1  HIS   7           HD1      HIS   7  -4.927  -3.082  -0.663
   65    HD2  HIS   7           HD2      HIS   7  -7.147  -3.323  -4.167
   66    HE1  HIS   7           HE1      HIS   7  -3.899  -4.960  -1.983
   67    H    ALA   8           H        ALA   8  -7.284   1.663  -2.360
   68    HA   ALA   8           HA       ALA   8  -9.348   2.220  -0.494
   69    HB1  ALA   8           1HB      ALA   8  -7.706   4.139  -2.142
   70    HB2  ALA   8           2HB      ALA   8  -8.665   4.548  -0.719
   71    HB3  ALA   8           3HB      ALA   8  -7.261   3.493  -0.562
   72    H    PHE   9           H        PHE   9  -9.184   2.241  -3.951
   73    HA   PHE   9           HA       PHE   9 -11.187   4.042  -4.617
   74    HB2  PHE   9           2HB      PHE   9  -9.611   2.263  -6.001
   75    HB3  PHE   9           3HB      PHE   9 -11.222   1.590  -6.225
   76    HD1  PHE   9           HD2      PHE   9  -9.104   4.548  -6.776
   77    HD2  PHE   9           HD1      PHE   9 -12.825   2.658  -7.612
   78    HE1  PHE   9           HE2      PHE   9  -9.541   6.198  -8.548
   79    HE2  PHE   9           HE1      PHE   9 -13.267   4.305  -9.385
   80    HZ   PHE   9           HZ       PHE   9 -11.625   6.079  -9.855
   81    H    ARG  10           H        ARG  10 -11.413   0.796  -3.346
   82    HA   ARG  10           HA       ARG  10 -14.207   0.477  -3.879
   83    HB2  ARG  10           2HB      ARG  10 -12.440  -1.003  -1.922
   84    HB3  ARG  10           3HB      ARG  10 -14.041  -1.505  -2.451
   85    HG2  ARG  10           2HG      ARG  10 -12.054  -1.040  -4.580
   86    HG3  ARG  10           3HG      ARG  10 -11.769  -2.426  -3.525
   87    HD2  ARG  10           2HD      ARG  10 -13.593  -3.547  -4.279
   88    HD3  ARG  10           3HD      ARG  10 -14.523  -2.073  -4.543
   89    HE   ARG  10           HE       ARG  10 -13.782  -2.042  -6.706
   90   HH11  ARG  10          1HH1      ARG  10 -11.749  -4.168  -4.843
   91   HH12  ARG  10          2HH1      ARG  10 -10.879  -4.756  -6.221
   92   HH21  ARG  10          1HH2      ARG  10 -12.644  -2.809  -8.527
   93   HH22  ARG  10          2HH2      ARG  10 -11.388  -3.982  -8.316
   94    H    SER  11           H        SER  11 -12.287   1.722  -1.235
   95    HA   SER  11           HA       SER  11 -14.298   1.725   0.746
   96    HB2  SER  11           2HB      SER  11 -11.590   2.537   0.547
   97    HB3  SER  11           3HB      SER  11 -12.503   3.934   1.117
   98    HG   SER  11           HG       SER  11 -12.647   2.988   2.975
   99    H    MET  12           H        MET  12 -13.613   3.830  -1.925
  100    HA   MET  12           HA       MET  12 -15.138   6.057  -0.977
  101    HB2  MET  12           2HB      MET  12 -13.442   5.485  -3.194
  102    HB3  MET  12           3HB      MET  12 -14.977   6.070  -3.823
  103    HG2  MET  12           2HG      MET  12 -13.493   7.922  -3.542
  104    HG3  MET  12           3HG      MET  12 -14.787   8.041  -2.353
  105    HE1  MET  12           3HE      MET  12 -10.786   7.805  -2.743
  106    HE2  MET  12           1HE      MET  12 -11.809   9.241  -2.788
  107    HE3  MET  12           2HE      MET  12 -10.750   8.957  -1.407
  108    H    PHE  13           H        PHE  13 -15.847   3.118  -2.667
  109    HA   PHE  13           HA       PHE  13 -18.334   3.939  -3.791
  110    HB2  PHE  13           2HB      PHE  13 -16.823   1.419  -3.517
  111    HB3  PHE  13           3HB      PHE  13 -18.572   1.236  -3.598
  112    HD1  PHE  13           HD2      PHE  13 -15.929   3.235  -5.323
  113    HD2  PHE  13           HD1      PHE  13 -19.430   0.841  -5.678
  114    HE1  PHE  13           HE2      PHE  13 -15.835   3.467  -7.770
  115    HE2  PHE  13           HE1      PHE  13 -19.342   1.068  -8.126
  116    HZ   PHE  13           HZ       PHE  13 -17.543   2.383  -9.176
  117    HA   PRO  14           HA       PRO  14 -21.100   3.479  -0.411
  118    HB2  PRO  14           2HB      PRO  14 -23.298   2.420  -1.599
  119    HB3  PRO  14           3HB      PRO  14 -22.779   4.090  -1.857
  120    HG2  PRO  14           2HG      PRO  14 -22.435   1.705  -3.608
  121    HG3  PRO  14           3HG      PRO  14 -22.737   3.395  -4.053
  122    HD2  PRO  14           2HD      PRO  14 -20.303   2.204  -4.213
  123    HD3  PRO  14           3HD      PRO  14 -20.573   3.951  -4.046
  124    H    SEP  15           H        SEP  15 -20.148   0.660  -2.217
  125    HA   SEP  15           HA       SEP  15 -21.588  -1.252  -0.567
  126    HB2  SEP  15           2HB      SEP  15 -21.056  -2.454  -2.490
  127    HB3  SEP  15           3HB      SEP  15 -19.758  -1.370  -2.924
  128    H    SER  16           H        SER  16 -18.441   0.246  -0.491
  129    HA   SER  16           HA       SER  16 -17.632  -1.283   1.847
  130    HB2  SER  16           2HB      SER  16 -15.997  -0.711   0.048
  131    HB3  SER  16           3HB      SER  16 -16.185   0.991   0.468
  132    HG   SER  16           HG       SER  16 -14.978  -1.083   1.922
  133    H    GLU  17           H        GLU  17 -18.971   1.812   1.046
  134    HA   GLU  17           HA       GLU  17 -18.420   2.915   3.681
  135    HB2  GLU  17           2HB      GLU  17 -18.607   4.098   1.253
  136    HB3  GLU  17           3HB      GLU  17 -20.243   4.346   1.846
  137    HG2  GLU  17           2HG      GLU  17 -19.551   6.063   3.045
  138    HG3  GLU  17           3HG      GLU  17 -18.466   5.006   3.944
  Start of MODEL    4
    1    H1   ARG   1           H        ARG   1   1.868   0.680   0.897
    2    HA   ARG   1           HA       ARG   1   3.875   0.514  -1.255
    3    HB2  ARG   1           2HB      ARG   1   1.637  -1.282  -0.537
    4    HB3  ARG   1           3HB      ARG   1   1.823  -0.941  -2.252
    5    HG2  ARG   1           2HG      ARG   1   3.261  -2.643  -2.244
    6    HG3  ARG   1           3HG      ARG   1   4.387  -1.503  -1.504
    7    HD2  ARG   1           2HD      ARG   1   2.799  -2.475   0.588
    8    HD3  ARG   1           3HD      ARG   1   3.196  -3.879  -0.401
    9    HE   ARG   1           HE       ARG   1   5.545  -2.442  -0.026
   10   HH11  ARG   1          1HH1      ARG   1   3.229  -4.193   1.896
   11   HH12  ARG   1          2HH1      ARG   1   4.384  -4.654   3.102
   12   HH21  ARG   1          1HH2      ARG   1   7.074  -3.043   1.555
   13   HH22  ARG   1          2HH2      ARG   1   6.571  -3.999   2.908
   14    H    SER   2           H        SER   2   3.527   1.695  -3.054
   15    HA   SER   2           HA       SER   2   1.453   3.684  -2.984
   16    HB2  SER   2           2HB      SER   2   3.989   3.483  -4.152
   17    HB3  SER   2           3HB      SER   2   2.867   3.538  -5.511
   18    HG   SER   2           HG       SER   2   3.658   5.612  -4.544
   19    H    LYS   3           H        LYS   3   1.976   0.640  -4.566
   20    HA   LYS   3           HA       LYS   3  -0.007   1.010  -6.602
   21    HB2  LYS   3           2HB      LYS   3   0.275  -1.443  -6.955
   22    HB3  LYS   3           3HB      LYS   3   1.784  -0.541  -7.018
   23    HG2  LYS   3           2HG      LYS   3   2.635  -1.595  -5.234
   24    HG3  LYS   3           3HG      LYS   3   1.098  -1.586  -4.367
   25    HD2  LYS   3           2HD      LYS   3   1.073  -3.328  -6.702
   26    HD3  LYS   3           3HD      LYS   3   2.301  -3.784  -5.518
   27    HE2  LYS   3           2HE      LYS   3   0.601  -3.830  -3.767
   28    HE3  LYS   3           3HE      LYS   3  -0.627  -3.343  -4.934
   29    HZ1  LYS   3           3HZ      LYS   3   0.362  -5.492  -6.139
   30    HZ2  LYS   3           1HZ      LYS   3  -0.941  -5.553  -5.061
   31    HZ3  LYS   3           2HZ      LYS   3   0.618  -5.935  -4.527
   32    H    ASP   4           H        ASP   4   0.012  -0.085  -3.313
   33    HA   ASP   4           HA       ASP   4  -2.496  -1.456  -3.411
   34    HB2  ASP   4           2HB      ASP   4  -0.439  -0.939  -1.454
   35    HB3  ASP   4           3HB      ASP   4  -2.030  -0.628  -0.764
   36    H    LEU   5           H        LEU   5  -1.544   1.829  -3.182
   37    HA   LEU   5           HA       LEU   5  -3.669   2.942  -1.751
   38    HB2  LEU   5           2HB      LEU   5  -1.451   3.893  -3.055
   39    HB3  LEU   5           3HB      LEU   5  -2.771   4.539  -4.028
   40    HG   LEU   5           HG       LEU   5  -2.802   4.910  -1.062
   41   HD11  LEU   5          1HD1      LEU   5  -1.649   7.155  -2.471
   42   HD12  LEU   5          2HD1      LEU   5  -0.634   5.719  -2.592
   43   HD13  LEU   5          3HD1      LEU   5  -1.100   6.337  -1.008
   44   HD21  LEU   5          3HD2      LEU   5  -3.661   7.196  -2.308
   45   HD22  LEU   5          1HD2      LEU   5  -4.697   5.896  -1.717
   46   HD23  LEU   5          2HD2      LEU   5  -4.202   5.929  -3.410
   47    H    ARG   6           H        ARG   6  -3.576   1.547  -4.888
   48    HA   ARG   6           HA       ARG   6  -5.850   2.900  -5.967
   49    HB2  ARG   6           2HB      ARG   6  -3.904   1.065  -6.899
   50    HB3  ARG   6           3HB      ARG   6  -5.476   0.320  -7.158
   51    HG2  ARG   6           2HG      ARG   6  -5.555   3.070  -7.964
   52    HG3  ARG   6           3HG      ARG   6  -4.205   2.244  -8.743
   53    HD2  ARG   6           2HD      ARG   6  -6.687   0.696  -8.706
   54    HD3  ARG   6           3HD      ARG   6  -6.801   2.208  -9.606
   55    HE   ARG   6           HE       ARG   6  -4.499   1.092 -10.512
   56   HH11  ARG   6          1HH1      ARG   6  -7.783  -0.028 -10.230
   57   HH12  ARG   6          2HH1      ARG   6  -7.678  -1.084 -11.599
   58   HH21  ARG   6          1HH2      ARG   6  -4.349  -0.295 -12.316
   59   HH22  ARG   6          2HH2      ARG   6  -5.724  -1.237 -12.784
   60    H    HIS   7           H        HIS   7  -5.394   0.255  -3.818
   61    HA   HIS   7           HA       HIS   7  -7.916  -1.018  -4.279
   62    HB2  HIS   7           2HB      HIS   7  -5.824  -2.071  -3.249
   63    HB3  HIS   7           3HB      HIS   7  -6.268  -1.235  -1.763
   64    HD1  HIS   7           HD1      HIS   7  -8.198  -3.411  -4.233
   65    HD2  HIS   7           HD2      HIS   7  -7.567  -2.955  -0.152
   66    HE1  HIS   7           HE1      HIS   7  -9.603  -5.183  -3.134
   67    H    ALA   8           H        ALA   8  -6.875   1.728  -2.514
   68    HA   ALA   8           HA       ALA   8  -8.886   1.764  -0.512
   69    HB1  ALA   8           1HB      ALA   8  -8.288   4.213  -0.368
   70    HB2  ALA   8           2HB      ALA   8  -6.958   3.079  -0.130
   71    HB3  ALA   8           3HB      ALA   8  -7.136   3.919  -1.671
   72    H    PHE   9           H        PHE   9  -8.829   2.641  -3.859
   73    HA   PHE   9           HA       PHE   9 -10.875   4.509  -4.007
   74    HB2  PHE   9           2HB      PHE   9  -9.332   3.580  -5.865
   75    HB3  PHE   9           3HB      PHE   9 -10.565   2.339  -6.065
   76    HD1  PHE   9           HD2      PHE   9 -10.032   6.008  -6.095
   77    HD2  PHE   9           HD1      PHE   9 -12.472   2.749  -7.339
   78    HE1  PHE   9           HE2      PHE   9 -11.320   7.528  -7.539
   79    HE2  PHE   9           HE1      PHE   9 -13.762   4.264  -8.786
   80    HZ   PHE   9           HZ       PHE   9 -13.188   6.657  -8.887
   81    H    ARG  10           H        ARG  10 -11.017   1.071  -3.484
   82    HA   ARG  10           HA       ARG  10 -13.791   0.763  -4.076
   83    HB2  ARG  10           2HB      ARG  10 -11.599  -0.912  -3.191
   84    HB3  ARG  10           3HB      ARG  10 -13.068  -1.264  -2.290
   85    HG2  ARG  10           2HG      ARG  10 -14.218  -1.949  -4.175
   86    HG3  ARG  10           3HG      ARG  10 -13.141  -1.080  -5.270
   87    HD2  ARG  10           2HD      ARG  10 -11.335  -2.713  -4.347
   88    HD3  ARG  10           3HD      ARG  10 -12.724  -3.688  -3.868
   89    HE   ARG  10           HE       ARG  10 -12.967  -2.922  -6.574
   90   HH11  ARG  10          1HH1      ARG  10 -11.157  -5.051  -4.498
   91   HH12  ARG  10          2HH1      ARG  10 -10.858  -6.221  -5.741
   92   HH21  ARG  10          1HH2      ARG  10 -12.581  -4.455  -8.218
   93   HH22  ARG  10          2HH2      ARG  10 -11.668  -5.880  -7.857
   94    H    SER  11           H        SER  11 -11.951   1.638  -1.244
   95    HA   SER  11           HA       SER  11 -14.002   1.213   0.670
   96    HB2  SER  11           2HB      SER  11 -12.126   3.355   1.333
   97    HB3  SER  11           3HB      SER  11 -12.421   1.823   2.154
   98    HG   SER  11           HG       SER  11 -10.654   1.128   1.283
   99    H    MET  12           H        MET  12 -13.297   3.768  -1.564
  100    HA   MET  12           HA       MET  12 -14.840   5.790  -0.263
  101    HB2  MET  12           2HB      MET  12 -12.970   5.999  -2.084
  102    HB3  MET  12           3HB      MET  12 -14.304   5.794  -3.211
  103    HG2  MET  12           2HG      MET  12 -15.436   7.721  -2.111
  104    HG3  MET  12           3HG      MET  12 -13.973   7.967  -1.160
  105    HE1  MET  12           3HE      MET  12 -12.427  10.564  -2.981
  106    HE2  MET  12           1HE      MET  12 -12.776   9.657  -1.509
  107    HE3  MET  12           2HE      MET  12 -11.497   9.115  -2.596
  108    H    PHE  13           H        PHE  13 -15.541   3.174  -2.423
  109    HA   PHE  13           HA       PHE  13 -18.018   4.151  -3.417
  110    HB2  PHE  13           2HB      PHE  13 -16.443   1.719  -3.623
  111    HB3  PHE  13           3HB      PHE  13 -18.162   1.366  -3.476
  112    HD1  PHE  13           HD2      PHE  13 -16.354   4.144  -5.177
  113    HD2  PHE  13           HD1      PHE  13 -18.936   0.783  -5.563
  114    HE1  PHE  13           HE2      PHE  13 -16.658   4.656  -7.564
  115    HE2  PHE  13           HE1      PHE  13 -19.244   1.289  -7.951
  116    HZ   PHE  13           HZ       PHE  13 -18.105   3.229  -8.954
  117    HA   PRO  14           HA       PRO  14 -20.816   3.238  -0.157
  118    HB2  PRO  14           2HB      PRO  14 -23.011   2.379  -1.503
  119    HB3  PRO  14           3HB      PRO  14 -22.478   4.064  -1.513
  120    HG2  PRO  14           2HG      PRO  14 -22.140   1.957  -3.589
  121    HG3  PRO  14           3HG      PRO  14 -22.416   3.698  -3.785
  122    HD2  PRO  14           2HD      PRO  14 -19.997   2.504  -4.095
  123    HD3  PRO  14           3HD      PRO  14 -20.251   4.214  -3.688
  124    H    SEP  15           H        SEP  15 -19.894   0.694  -2.355
  125    HA   SEP  15           HA       SEP  15 -21.353  -1.416  -0.989
  126    HB2  SEP  15           2HB      SEP  15 -19.856  -2.982  -2.412
  127    HB3  SEP  15           3HB      SEP  15 -20.751  -1.808  -3.344
  128    H    SER  16           H        SER  16 -18.149  -0.038  -0.755
  129    HA   SER  16           HA       SER  16 -17.370  -1.879   1.349
  130    HB2  SER  16           2HB      SER  16 -15.743  -1.068  -0.375
  131    HB3  SER  16           3HB      SER  16 -15.882   0.547   0.320
  132    HG   SER  16           HG       SER  16 -15.059  -0.270   2.259
  133    H    GLU  17           H        GLU  17 -18.654   1.322   1.010
  134    HA   GLU  17           HA       GLU  17 -17.985   2.166   3.679
  135    HB2  GLU  17           2HB      GLU  17 -18.291   3.726   1.728
  136    HB3  GLU  17           3HB      GLU  17 -20.014   3.382   1.802
  137    HG2  GLU  17           2HG      GLU  17 -20.272   4.468   3.840
  138    HG3  GLU  17           3HG      GLU  17 -18.548   4.399   4.202
  Start of MODEL    5
    1    H1   ARG   1           H        ARG   1   4.360   2.138  -2.274
    2    HA   ARG   1           HA       ARG   1   3.012  -0.098  -2.460
    3    HB2  ARG   1           2HB      ARG   1   2.203   1.192   0.104
    4    HB3  ARG   1           3HB      ARG   1   0.964   0.375  -0.839
    5    HG2  ARG   1           2HG      ARG   1   2.347  -1.674  -0.809
    6    HG3  ARG   1           3HG      ARG   1   3.499  -0.840   0.236
    7    HD2  ARG   1           2HD      ARG   1   2.223  -1.134   2.048
    8    HD3  ARG   1           3HD      ARG   1   0.758  -0.651   1.195
    9    HE   ARG   1           HE       ARG   1   1.373  -3.185   0.292
   10   HH11  ARG   1          1HH1      ARG   1   0.605  -1.682   3.337
   11   HH12  ARG   1          2HH1      ARG   1  -0.129  -3.104   4.002
   12   HH21  ARG   1          1HH2      ARG   1   0.410  -5.063   1.156
   13   HH22  ARG   1          2HH2      ARG   1  -0.238  -5.026   2.761
   14    H    SER   2           H        SER   2   3.162   1.556  -4.309
   15    HA   SER   2           HA       SER   2   1.024   3.497  -4.411
   16    HB2  SER   2           2HB      SER   2   3.477   3.134  -5.755
   17    HB3  SER   2           3HB      SER   2   2.220   2.986  -6.983
   18    HG   SER   2           HG       SER   2   1.364   4.997  -6.066
   19    H    LYS   3           H        LYS   3   1.599   0.238  -5.454
   20    HA   LYS   3           HA       LYS   3  -0.524   0.135  -7.370
   21    HB2  LYS   3           2HB      LYS   3  -0.165  -2.335  -7.239
   22    HB3  LYS   3           3HB      LYS   3   1.292  -1.419  -7.600
   23    HG2  LYS   3           2HG      LYS   3   2.322  -2.102  -5.742
   24    HG3  LYS   3           3HG      LYS   3   0.881  -1.878  -4.748
   25    HD2  LYS   3           2HD      LYS   3   0.560  -4.090  -6.580
   26    HD3  LYS   3           3HD      LYS   3   1.995  -4.296  -5.574
   27    HE2  LYS   3           2HE      LYS   3   0.347  -3.566  -3.657
   28    HE3  LYS   3           3HE      LYS   3  -0.876  -4.138  -4.790
   29    HZ1  LYS   3           3HZ      LYS   3   1.167  -5.647  -3.343
   30    HZ2  LYS   3           1HZ      LYS   3   0.749  -6.187  -4.891
   31    HZ3  LYS   3           2HZ      LYS   3  -0.437  -6.059  -3.692
   32    H    ASP   4           H        ASP   4  -0.256  -0.323  -3.937
   33    HA   ASP   4           HA       ASP   4  -2.791  -1.668  -3.669
   34    HB2  ASP   4           2HB      ASP   4  -0.538  -1.069  -1.973
   35    HB3  ASP   4           3HB      ASP   4  -2.036  -0.598  -1.175
   36    H    LEU   5           H        LEU   5  -1.697   1.575  -3.863
   37    HA   LEU   5           HA       LEU   5  -3.633   2.924  -2.369
   38    HB2  LEU   5           2HB      LEU   5  -1.507   3.649  -3.913
   39    HB3  LEU   5           3HB      LEU   5  -2.862   4.214  -4.887
   40    HG   LEU   5           HG       LEU   5  -3.660   5.477  -2.866
   41   HD11  LEU   5          1HD1      LEU   5  -2.587   5.433  -0.906
   42   HD12  LEU   5          2HD1      LEU   5  -0.996   5.481  -1.666
   43   HD13  LEU   5          3HD1      LEU   5  -1.851   3.947  -1.507
   44   HD21  LEU   5          3HD2      LEU   5  -0.955   6.523  -3.403
   45   HD22  LEU   5          1HD2      LEU   5  -2.529   7.303  -3.559
   46   HD23  LEU   5          2HD2      LEU   5  -1.960   6.209  -4.820
   47    H    ARG   6           H        ARG   6  -3.890   1.223  -5.341
   48    HA   ARG   6           HA       ARG   6  -6.203   2.570  -6.343
   49    HB2  ARG   6           2HB      ARG   6  -4.833  -0.023  -7.003
   50    HB3  ARG   6           3HB      ARG   6  -6.380   0.392  -7.729
   51    HG2  ARG   6           2HG      ARG   6  -5.465   2.299  -8.801
   52    HG3  ARG   6           3HG      ARG   6  -3.965   2.173  -7.880
   53    HD2  ARG   6           2HD      ARG   6  -3.562  -0.030  -8.972
   54    HD3  ARG   6           3HD      ARG   6  -4.979   0.263  -9.979
   55    HE   ARG   6           HE       ARG   6  -3.242   2.450 -10.210
   56   HH11  ARG   6          1HH1      ARG   6  -3.416  -0.921 -11.064
   57   HH12  ARG   6          2HH1      ARG   6  -2.406  -0.753 -12.462
   58   HH21  ARG   6          1HH2      ARG   6  -1.911   2.684 -12.048
   59   HH22  ARG   6          2HH2      ARG   6  -1.550   1.297 -13.020
   60    H    HIS   7           H        HIS   7  -5.646   0.131  -3.985
   61    HA   HIS   7           HA       HIS   7  -8.247  -1.061  -4.085
   62    HB2  HIS   7           2HB      HIS   7  -5.811  -1.632  -2.818
   63    HB3  HIS   7           3HB      HIS   7  -6.953  -1.328  -1.512
   64    HD1  HIS   7           HD1      HIS   7  -5.993  -3.830  -4.029
   65    HD2  HIS   7           HD2      HIS   7  -9.215  -3.110  -1.507
   66    HE1  HIS   7           HE1      HIS   7  -7.295  -5.981  -3.971
   67    H    ALA   8           H        ALA   8  -6.939   1.791  -2.710
   68    HA   ALA   8           HA       ALA   8  -8.738   2.121  -0.543
   69    HB1  ALA   8           1HB      ALA   8  -7.994   4.443  -0.524
   70    HB2  ALA   8           2HB      ALA   8  -6.626   3.341  -0.688
   71    HB3  ALA   8           3HB      ALA   8  -7.226   4.218  -2.096
   72    H    PHE   9           H        PHE   9  -8.996   2.645  -3.954
   73    HA   PHE   9           HA       PHE   9 -11.065   4.544  -4.000
   74    HB2  PHE   9           2HB      PHE   9  -9.634   3.001  -5.890
   75    HB3  PHE   9           3HB      PHE   9 -11.343   2.692  -6.178
   76    HD1  PHE   9           HD1      PHE   9 -12.849   4.868  -6.186
   77    HD2  PHE   9           HD2      PHE   9  -8.661   4.789  -6.944
   78    HE1  PHE   9           HE1      PHE   9 -13.031   7.002  -7.396
   79    HE2  PHE   9           HE2      PHE   9  -8.837   6.924  -8.154
   80    HZ   PHE   9           HZ       PHE   9 -11.024   8.034  -8.381
   81    H    ARG  10           H        ARG  10 -11.062   1.129  -3.380
   82    HA   ARG  10           HA       ARG  10 -13.841   0.690  -3.842
   83    HB2  ARG  10           2HB      ARG  10 -11.690  -0.858  -2.420
   84    HB3  ARG  10           3HB      ARG  10 -13.367  -1.386  -2.387
   85    HG2  ARG  10           2HG      ARG  10 -13.157  -1.125  -4.995
   86    HG3  ARG  10           3HG      ARG  10 -11.439  -1.327  -4.645
   87    HD2  ARG  10           2HD      ARG  10 -12.658  -3.295  -3.134
   88    HD3  ARG  10           3HD      ARG  10 -13.588  -3.281  -4.632
   89    HE   ARG  10           HE       ARG  10 -10.932  -4.242  -4.281
   90   HH11  ARG  10          1HH1      ARG  10 -13.057  -2.687  -6.558
   91   HH12  ARG  10          2HH1      ARG  10 -12.206  -3.270  -7.949
   92   HH21  ARG  10          1HH2      ARG  10  -9.802  -5.016  -6.105
   93   HH22  ARG  10          2HH2      ARG  10 -10.355  -4.595  -7.691
   94    H    SER  11           H        SER  11 -11.919   1.696  -1.097
   95    HA   SER  11           HA       SER  11 -13.869   1.287   0.907
   96    HB2  SER  11           2HB      SER  11 -11.914   1.664   1.988
   97    HB3  SER  11           3HB      SER  11 -11.275   2.663   0.683
   98    HG   SER  11           HG       SER  11 -11.609   4.161   2.159
   99    H    MET  12           H        MET  12 -13.385   3.784  -1.451
  100    HA   MET  12           HA       MET  12 -15.007   5.758  -0.163
  101    HB2  MET  12           2HB      MET  12 -13.264   5.706  -2.343
  102    HB3  MET  12           3HB      MET  12 -14.840   6.047  -3.044
  103    HG2  MET  12           2HG      MET  12 -15.037   8.059  -1.978
  104    HG3  MET  12           3HG      MET  12 -13.987   7.581  -0.647
  105    HE1  MET  12           3HE      MET  12 -13.497  10.475  -3.342
  106    HE2  MET  12           1HE      MET  12 -14.109  10.154  -1.718
  107    HE3  MET  12           2HE      MET  12 -12.437  10.668  -1.944
  108    H    PHE  13           H        PHE  13 -15.591   3.051  -2.241
  109    HA   PHE  13           HA       PHE  13 -18.135   3.860  -3.218
  110    HB2  PHE  13           2HB      PHE  13 -16.518   1.383  -3.225
  111    HB3  PHE  13           3HB      PHE  13 -18.259   1.160  -3.364
  112    HD1  PHE  13           HD2      PHE  13 -15.656   3.435  -4.781
  113    HD2  PHE  13           HD1      PHE  13 -19.064   0.986  -5.495
  114    HE1  PHE  13           HE2      PHE  13 -15.528   3.962  -7.180
  115    HE2  PHE  13           HE1      PHE  13 -18.940   1.508  -7.896
  116    HZ   PHE  13           HZ       PHE  13 -17.171   2.999  -8.741
  117    HA   PRO  14           HA       PRO  14 -20.823   2.873   0.113
  118    HB2  PRO  14           2HB      PRO  14 -22.991   1.867  -1.170
  119    HB3  PRO  14           3HB      PRO  14 -22.547   3.577  -1.234
  120    HG2  PRO  14           2HG      PRO  14 -22.129   1.433  -3.259
  121    HG3  PRO  14           3HG      PRO  14 -22.511   3.148  -3.498
  122    HD2  PRO  14           2HD      PRO  14 -20.029   2.084  -3.819
  123    HD3  PRO  14           3HD      PRO  14 -20.369   3.788  -3.453
  124    H    SEP  15           H        SEP  15 -19.774   0.336  -2.026
  125    HA   SEP  15           HA       SEP  15 -21.105  -1.823  -0.607
  126    HB2  SEP  15           2HB      SEP  15 -20.238  -3.205  -2.301
  127    HB3  SEP  15           3HB      SEP  15 -19.936  -1.687  -3.108
  128    H    SER  16           H        SER  16 -18.033  -0.195  -0.370
  129    HA   SER  16           HA       SER  16 -17.088  -1.965   1.725
  130    HB2  SER  16           2HB      SER  16 -15.898   0.536   0.505
  131    HB3  SER  16           3HB      SER  16 -15.111  -0.428   1.755
  132    HG   SER  16           HG       SER  16 -15.078  -2.173   0.322
  133    H    GLU  17           H        GLU  17 -18.675   1.102   1.406
  134    HA   GLU  17           HA       GLU  17 -18.090   2.029   4.053
  135    HB2  GLU  17           2HB      GLU  17 -18.753   3.426   1.990
  136    HB3  GLU  17           3HB      GLU  17 -20.404   2.958   2.371
  137    HG2  GLU  17           2HG      GLU  17 -20.448   4.180   4.321
  138    HG3  GLU  17           3HG      GLU  17 -18.693   4.172   4.489
  Start of MODEL    6
    1    H1   ARG   1           H        ARG   1   1.143   1.546   1.096
    2    HA   ARG   1           HA       ARG   1   3.205   1.149  -0.312
    3    HB2  ARG   1           2HB      ARG   1   1.388  -1.008  -1.402
    4    HB3  ARG   1           3HB      ARG   1   2.968  -0.573  -2.040
    5    HG2  ARG   1           2HG      ARG   1   3.293  -1.129   0.712
    6    HG3  ARG   1           3HG      ARG   1   2.321  -2.426   0.013
    7    HD2  ARG   1           2HD      ARG   1   4.116  -2.367  -1.877
    8    HD3  ARG   1           3HD      ARG   1   5.102  -1.563  -0.656
    9    HE   ARG   1           HE       ARG   1   3.885  -4.020   0.231
   10   HH11  ARG   1          1HH1      ARG   1   6.640  -2.562  -1.321
   11   HH12  ARG   1          2HH1      ARG   1   7.711  -3.869  -0.939
   12   HH21  ARG   1          1HH2      ARG   1   5.286  -5.747   0.740
   13   HH22  ARG   1          2HH2      ARG   1   6.940  -5.681   0.232
   14    H    SER   2           H        SER   2   3.124   1.514  -2.793
   15    HA   SER   2           HA       SER   2   1.210   3.627  -3.237
   16    HB2  SER   2           2HB      SER   2   3.494   4.000  -3.946
   17    HB3  SER   2           3HB      SER   2   3.462   2.550  -4.950
   18    HG   SER   2           HG       SER   2   3.113   4.541  -6.111
   19    H    LYS   3           H        LYS   3   1.734   0.351  -4.324
   20    HA   LYS   3           HA       LYS   3  -0.171   0.501  -6.475
   21    HB2  LYS   3           2HB      LYS   3   0.265  -1.820  -6.815
   22    HB3  LYS   3           3HB      LYS   3   1.802  -1.058  -6.429
   23    HG2  LYS   3           2HG      LYS   3   1.044  -1.808  -3.968
   24    HG3  LYS   3           3HG      LYS   3   0.244  -3.057  -4.925
   25    HD2  LYS   3           2HD      LYS   3   2.892  -2.681  -5.922
   26    HD3  LYS   3           3HD      LYS   3   2.967  -2.898  -4.171
   27    HE2  LYS   3           2HE      LYS   3   3.058  -5.077  -4.919
   28    HE3  LYS   3           3HE      LYS   3   1.332  -4.873  -4.622
   29    HZ1  LYS   3           3HZ      LYS   3   2.644  -5.508  -7.037
   30    HZ2  LYS   3           1HZ      LYS   3   1.801  -4.054  -7.230
   31    HZ3  LYS   3           2HZ      LYS   3   0.984  -5.444  -6.718
   32    H    ASP   4           H        ASP   4  -0.180  -0.472  -3.113
   33    HA   ASP   4           HA       ASP   4  -2.746  -1.737  -3.200
   34    HB2  ASP   4           2HB      ASP   4  -0.653  -1.343  -1.266
   35    HB3  ASP   4           3HB      ASP   4  -2.205  -0.905  -0.557
   36    H    LEU   5           H        LEU   5  -1.644   1.501  -2.978
   37    HA   LEU   5           HA       LEU   5  -3.710   2.712  -1.540
   38    HB2  LEU   5           2HB      LEU   5  -1.454   3.590  -2.718
   39    HB3  LEU   5           3HB      LEU   5  -2.649   4.181  -3.871
   40    HG   LEU   5           HG       LEU   5  -3.753   5.092  -1.609
   41   HD11  LEU   5          1HD1      LEU   5  -2.309   4.562   0.064
   42   HD12  LEU   5          2HD1      LEU   5  -1.594   6.093  -0.439
   43   HD13  LEU   5          3HD1      LEU   5  -0.899   4.571  -0.995
   44   HD21  LEU   5          3HD2      LEU   5  -3.310   6.488  -3.489
   45   HD22  LEU   5          1HD2      LEU   5  -1.568   6.358  -3.250
   46   HD23  LEU   5          2HD2      LEU   5  -2.555   7.238  -2.083
   47    H    ARG   6           H        ARG   6  -3.693   1.311  -4.676
   48    HA   ARG   6           HA       ARG   6  -5.907   2.765  -5.747
   49    HB2  ARG   6           2HB      ARG   6  -4.151   1.518  -7.082
   50    HB3  ARG   6           3HB      ARG   6  -4.956   0.031  -6.599
   51    HG2  ARG   6           2HG      ARG   6  -6.318   0.243  -8.327
   52    HG3  ARG   6           3HG      ARG   6  -6.952   1.731  -7.622
   53    HD2  ARG   6           2HD      ARG   6  -6.231   2.527  -9.639
   54    HD3  ARG   6           3HD      ARG   6  -4.769   2.759  -8.681
   55    HE   ARG   6           HE       ARG   6  -3.724   1.251 -10.030
   56   HH11  ARG   6          1HH1      ARG   6  -7.160   0.742 -10.259
   57   HH12  ARG   6          2HH1      ARG   6  -7.030  -0.465 -11.496
   58   HH21  ARG   6          1HH2      ARG   6  -3.540  -0.336 -11.658
   59   HH22  ARG   6          2HH2      ARG   6  -4.971  -1.078 -12.290
   60    H    HIS   7           H        HIS   7  -5.564   0.105  -3.598
   61    HA   HIS   7           HA       HIS   7  -8.137  -1.061  -4.048
   62    HB2  HIS   7           2HB      HIS   7  -5.990  -2.074  -2.925
   63    HB3  HIS   7           3HB      HIS   7  -6.659  -1.363  -1.460
   64    HD1  HIS   7           HD1      HIS   7  -8.613  -2.549  -0.374
   65    HD2  HIS   7           HD2      HIS   7  -7.583  -4.156  -4.064
   66    HE1  HIS   7           HE1      HIS   7  -9.927  -4.685  -0.567
   67    H    ALA   8           H        ALA   8  -6.987   1.654  -2.304
   68    HA   ALA   8           HA       ALA   8  -9.005   1.788  -0.309
   69    HB1  ALA   8           1HB      ALA   8  -6.933   3.623  -1.371
   70    HB2  ALA   8           2HB      ALA   8  -8.279   4.338  -0.483
   71    HB3  ALA   8           3HB      ALA   8  -7.262   3.120   0.287
   72    H    PHE   9           H        PHE   9  -8.890   2.642  -3.661
   73    HA   PHE   9           HA       PHE   9 -10.848   4.600  -3.832
   74    HB2  PHE   9           2HB      PHE   9  -9.324   3.439  -5.658
   75    HB3  PHE   9           3HB      PHE   9 -10.763   2.457  -5.911
   76    HD1  PHE   9           HD2      PHE   9  -9.969   6.073  -5.410
   77    HD2  PHE   9           HD1      PHE   9 -12.120   3.137  -7.617
   78    HE1  PHE   9           HE2      PHE   9 -10.922   7.843  -6.828
   79    HE2  PHE   9           HE1      PHE   9 -13.076   4.903  -9.040
   80    HZ   PHE   9           HZ       PHE   9 -12.478   7.259  -8.646
   81    H    ARG  10           H        ARG  10 -11.155   1.148  -3.377
   82    HA   ARG  10           HA       ARG  10 -13.900   0.908  -3.990
   83    HB2  ARG  10           2HB      ARG  10 -11.831  -0.800  -3.154
   84    HB3  ARG  10           3HB      ARG  10 -13.081  -0.932  -1.924
   85    HG2  ARG  10           2HG      ARG  10 -14.534  -1.959  -3.313
   86    HG3  ARG  10           3HG      ARG  10 -13.989  -1.056  -4.728
   87    HD2  ARG  10           2HD      ARG  10 -12.295  -3.168  -3.425
   88    HD3  ARG  10           3HD      ARG  10 -13.488  -3.558  -4.663
   89    HE   ARG  10           HE       ARG  10 -11.672  -1.483  -5.453
   90   HH11  ARG  10          1HH1      ARG  10 -12.147  -4.925  -5.244
   91   HH12  ARG  10          2HH1      ARG  10 -11.033  -5.288  -6.520
   92   HH21  ARG  10          1HH2      ARG  10 -10.202  -1.947  -7.134
   93   HH22  ARG  10          2HH2      ARG  10  -9.926  -3.593  -7.593
   94    H    SER  11           H        SER  11 -12.187   1.966  -1.147
   95    HA   SER  11           HA       SER  11 -14.256   1.686   0.740
   96    HB2  SER  11           2HB      SER  11 -11.650   2.429   0.887
   97    HB3  SER  11           3HB      SER  11 -12.439   3.995   1.076
   98    HG   SER  11           HG       SER  11 -12.820   3.420   3.049
   99    H    MET  12           H        MET  12 -13.670   4.023  -1.751
  100    HA   MET  12           HA       MET  12 -15.370   6.065  -0.699
  101    HB2  MET  12           2HB      MET  12 -13.528   5.877  -2.776
  102    HB3  MET  12           3HB      MET  12 -15.069   6.106  -3.590
  103    HG2  MET  12           2HG      MET  12 -15.471   8.140  -2.401
  104    HG3  MET  12           3HG      MET  12 -14.059   7.875  -1.381
  105    HE1  MET  12           3HE      MET  12 -13.830  10.665  -2.379
  106    HE2  MET  12           1HE      MET  12 -12.537   9.717  -1.642
  107    HE3  MET  12           2HE      MET  12 -12.230  10.628  -3.121
  108    H    PHE  13           H        PHE  13 -15.845   3.195  -2.575
  109    HA   PHE  13           HA       PHE  13 -18.351   3.894  -3.719
  110    HB2  PHE  13           2HB      PHE  13 -16.699   1.459  -3.480
  111    HB3  PHE  13           3HB      PHE  13 -18.431   1.178  -3.622
  112    HD1  PHE  13           HD2      PHE  13 -16.269   3.781  -5.170
  113    HD2  PHE  13           HD1      PHE  13 -18.795   0.408  -5.766
  114    HE1  PHE  13           HE2      PHE  13 -16.116   4.101  -7.605
  115    HE2  PHE  13           HE1      PHE  13 -18.646   0.722  -8.202
  116    HZ   PHE  13           HZ       PHE  13 -17.306   2.571  -9.124
  117    HA   PRO  14           HA       PRO  14 -21.172   3.154  -0.435
  118    HB2  PRO  14           2HB      PRO  14 -23.274   2.018  -1.720
  119    HB3  PRO  14           3HB      PRO  14 -22.843   3.722  -1.909
  120    HG2  PRO  14           2HG      PRO  14 -22.314   1.419  -3.725
  121    HG3  PRO  14           3HG      PRO  14 -22.709   3.101  -4.125
  122    HD2  PRO  14           2HD      PRO  14 -20.198   2.060  -4.253
  123    HD3  PRO  14           3HD      PRO  14 -20.580   3.780  -4.038
  124    H    SEP  15           H        SEP  15 -19.997   0.465  -2.301
  125    HA   SEP  15           HA       SEP  15 -21.374  -1.589  -0.774
  126    HB2  SEP  15           2HB      SEP  15 -19.802  -1.549  -3.180
  127    HB3  SEP  15           3HB      SEP  15 -18.845  -2.516  -2.086
  128    H    SER  16           H        SER  16 -18.338   0.101  -0.521
  129    HA   SER  16           HA       SER  16 -17.519  -1.464   1.791
  130    HB2  SER  16           2HB      SER  16 -16.225   0.745   0.203
  131    HB3  SER  16           3HB      SER  16 -15.555   0.200   1.740
  132    HG   SER  16           HG       SER  16 -14.833  -1.530   0.792
  133    H    GLU  17           H        GLU  17 -18.986   1.590   1.038
  134    HA   GLU  17           HA       GLU  17 -18.512   2.795   3.594
  135    HB2  GLU  17           2HB      GLU  17 -19.727   3.552   1.080
  136    HB3  GLU  17           3HB      GLU  17 -20.737   4.041   2.433
  137    HG2  GLU  17           2HG      GLU  17 -18.868   5.236   3.422
  138    HG3  GLU  17           3HG      GLU  17 -17.822   4.716   2.101
  Start of MODEL    7
    1    H1   ARG   1           H        ARG   1   2.062  -0.145   1.315
    2    HA   ARG   1           HA       ARG   1   3.580   0.736  -0.769
    3    HB2  ARG   1           2HB      ARG   1   1.316  -1.260  -0.947
    4    HB3  ARG   1           3HB      ARG   1   2.628  -1.098  -2.107
    5    HG2  ARG   1           2HG      ARG   1   4.087  -1.464   0.082
    6    HG3  ARG   1           3HG      ARG   1   2.619  -2.296   0.599
    7    HD2  ARG   1           2HD      ARG   1   2.796  -3.907  -1.037
    8    HD3  ARG   1           3HD      ARG   1   3.743  -2.869  -2.103
    9    HE   ARG   1           HE       ARG   1   5.169  -3.489   0.276
   10   HH11  ARG   1          1HH1      ARG   1   4.204  -4.793  -2.804
   11   HH12  ARG   1          2HH1      ARG   1   5.542  -5.888  -2.906
   12   HH21  ARG   1          1HH2      ARG   1   6.936  -4.927   0.153
   13   HH22  ARG   1          2HH2      ARG   1   7.095  -5.964  -1.224
   14    H    SER   2           H        SER   2   3.232   1.611  -2.805
   15    HA   SER   2           HA       SER   2   1.117   3.505  -2.991
   16    HB2  SER   2           2HB      SER   2   3.606   3.194  -4.178
   17    HB3  SER   2           3HB      SER   2   2.478   2.945  -5.512
   18    HG   SER   2           HG       SER   2   3.238   5.217  -4.736
   19    H    LYS   3           H        LYS   3   1.600   0.273  -4.168
   20    HA   LYS   3           HA       LYS   3  -0.409   0.321  -6.186
   21    HB2  LYS   3           2HB      LYS   3   1.260  -1.737  -4.859
   22    HB3  LYS   3           3HB      LYS   3  -0.249  -2.299  -5.567
   23    HG2  LYS   3           2HG      LYS   3   0.390  -1.579  -7.728
   24    HG3  LYS   3           3HG      LYS   3   1.762  -0.668  -7.093
   25    HD2  LYS   3           2HD      LYS   3   1.979  -3.386  -6.246
   26    HD3  LYS   3           3HD      LYS   3   1.703  -3.349  -7.989
   27    HE2  LYS   3           2HE      LYS   3   4.030  -3.238  -7.758
   28    HE3  LYS   3           3HE      LYS   3   3.536  -1.573  -8.064
   29    HZ1  LYS   3           3HZ      LYS   3   3.449  -1.868  -5.334
   30    HZ2  LYS   3           1HZ      LYS   3   4.629  -1.045  -6.224
   31    HZ3  LYS   3           2HZ      LYS   3   4.866  -2.665  -5.801
   32    H    ASP   4           H        ASP   4  -0.401  -0.290  -2.749
   33    HA   ASP   4           HA       ASP   4  -2.979  -1.492  -2.618
   34    HB2  ASP   4           2HB      ASP   4  -0.881  -0.789  -0.783
   35    HB3  ASP   4           3HB      ASP   4  -2.426  -0.223  -0.153
   36    H    LEU   5           H        LEU   5  -1.875   1.738  -2.944
   37    HA   LEU   5           HA       LEU   5  -3.938   3.173  -1.726
   38    HB2  LEU   5           2HB      LEU   5  -1.688   3.780  -3.187
   39    HB3  LEU   5           3HB      LEU   5  -2.996   4.334  -4.230
   40    HG   LEU   5           HG       LEU   5  -3.827   5.549  -2.077
   41   HD11  LEU   5          1HD1      LEU   5  -1.561   6.321  -0.926
   42   HD12  LEU   5          2HD1      LEU   5  -1.085   4.681  -1.366
   43   HD13  LEU   5          3HD1      LEU   5  -2.496   4.945  -0.341
   44   HD21  LEU   5          3HD2      LEU   5  -2.036   7.391  -2.640
   45   HD22  LEU   5          1HD2      LEU   5  -3.289   6.955  -3.802
   46   HD23  LEU   5          2HD2      LEU   5  -1.660   6.301  -3.976
   47    H    ARG   6           H        ARG   6  -3.928   1.266  -4.582
   48    HA   ARG   6           HA       ARG   6  -6.144   2.522  -5.877
   49    HB2  ARG   6           2HB      ARG   6  -4.469   0.134  -6.303
   50    HB3  ARG   6           3HB      ARG   6  -6.122  -0.008  -6.886
   51    HG2  ARG   6           2HG      ARG   6  -5.861   1.853  -8.335
   52    HG3  ARG   6           3HG      ARG   6  -4.316   2.286  -7.601
   53    HD2  ARG   6           2HD      ARG   6  -3.836  -0.272  -8.373
   54    HD3  ARG   6           3HD      ARG   6  -4.950   0.259  -9.632
   55    HE   ARG   6           HE       ARG   6  -3.143   2.274  -9.495
   56   HH11  ARG   6          1HH1      ARG   6  -2.879  -1.176  -9.882
   57   HH12  ARG   6          2HH1      ARG   6  -1.426  -1.091 -10.820
   58   HH21  ARG   6          1HH2      ARG   6  -1.229   2.399 -10.730
   59   HH22  ARG   6          2HH2      ARG   6  -0.488   0.943 -11.301
   60    H    HIS   7           H        HIS   7  -5.797   0.259  -3.312
   61    HA   HIS   7           HA       HIS   7  -8.379  -0.954  -3.557
   62    HB2  HIS   7           2HB      HIS   7  -6.274  -1.851  -2.335
   63    HB3  HIS   7           3HB      HIS   7  -6.805  -0.836  -0.998
   64    HD1  HIS   7           HD1      HIS   7  -9.107  -2.854  -3.212
   65    HD2  HIS   7           HD2      HIS   7  -7.665  -2.826   0.684
   66    HE1  HIS   7           HE1      HIS   7 -10.437  -4.604  -1.991
   67    H    ALA   8           H        ALA   8  -7.197   1.996  -2.275
   68    HA   ALA   8           HA       ALA   8  -9.191   2.461  -0.309
   69    HB1  ALA   8           1HB      ALA   8  -7.114   3.687  -0.257
   70    HB2  ALA   8           2HB      ALA   8  -7.456   4.399  -1.834
   71    HB3  ALA   8           3HB      ALA   8  -8.456   4.816  -0.442
   72    H    PHE   9           H        PHE   9  -9.116   2.762  -3.756
   73    HA   PHE   9           HA       PHE   9 -11.148   4.658  -4.134
   74    HB2  PHE   9           2HB      PHE   9  -9.618   2.867  -5.759
   75    HB3  PHE   9           3HB      PHE   9 -11.313   2.734  -6.215
   76    HD1  PHE   9           HD1      PHE   9 -12.466   5.246  -6.177
   77    HD2  PHE   9           HD2      PHE   9  -8.421   4.286  -7.088
   78    HE1  PHE   9           HE1      PHE   9 -12.275   7.316  -7.493
   79    HE2  PHE   9           HE2      PHE   9  -8.223   6.354  -8.406
   80    HZ   PHE   9           HZ       PHE   9 -10.151   7.873  -8.609
   81    H    ARG  10           H        ARG  10 -11.252   1.293  -3.278
   82    HA   ARG  10           HA       ARG  10 -13.972   0.825  -3.967
   83    HB2  ARG  10           2HB      ARG  10 -11.919  -0.788  -3.274
   84    HB3  ARG  10           3HB      ARG  10 -12.782  -0.725  -1.743
   85    HG2  ARG  10           2HG      ARG  10 -14.680  -1.732  -2.626
   86    HG3  ARG  10           3HG      ARG  10 -14.223  -1.353  -4.288
   87    HD2  ARG  10           2HD      ARG  10 -13.204  -3.316  -4.483
   88    HD3  ARG  10           3HD      ARG  10 -12.172  -2.941  -3.104
   89    HE   ARG  10           HE       ARG  10 -14.542  -3.732  -1.999
   90   HH11  ARG  10          1HH1      ARG  10 -12.264  -5.133  -4.228
   91   HH12  ARG  10          2HH1      ARG  10 -12.601  -6.764  -3.750
   92   HH21  ARG  10          1HH2      ARG  10 -14.994  -5.875  -1.361
   93   HH22  ARG  10          2HH2      ARG  10 -14.154  -7.185  -2.119
   94    H    SER  11           H        SER  11 -12.347   2.115  -1.156
   95    HA   SER  11           HA       SER  11 -14.479   1.879   0.681
   96    HB2  SER  11           2HB      SER  11 -11.869   2.683   0.851
   97    HB3  SER  11           3HB      SER  11 -12.722   4.217   1.029
   98    HG   SER  11           HG       SER  11 -13.207   1.870   2.554
   99    H    MET  12           H        MET  12 -13.793   4.135  -1.866
  100    HA   MET  12           HA       MET  12 -15.571   6.185  -0.955
  101    HB2  MET  12           2HB      MET  12 -14.360   5.673  -3.677
  102    HB3  MET  12           3HB      MET  12 -15.265   7.116  -3.242
  103    HG2  MET  12           2HG      MET  12 -13.570   7.535  -1.454
  104    HG3  MET  12           3HG      MET  12 -12.629   6.205  -2.124
  105    HE1  MET  12           3HE      MET  12 -11.973   9.554  -1.768
  106    HE2  MET  12           1HE      MET  12 -12.273  10.449  -3.259
  107    HE3  MET  12           2HE      MET  12 -13.628   9.855  -2.299
  108    H    PHE  13           H        PHE  13 -15.894   3.270  -2.793
  109    HA   PHE  13           HA       PHE  13 -18.331   3.911  -4.107
  110    HB2  PHE  13           2HB      PHE  13 -16.601   1.581  -3.817
  111    HB3  PHE  13           3HB      PHE  13 -18.308   1.152  -3.835
  112    HD1  PHE  13           HD2      PHE  13 -16.319   3.731  -5.653
  113    HD2  PHE  13           HD1      PHE  13 -18.883   0.344  -5.902
  114    HE1  PHE  13           HE2      PHE  13 -16.338   3.931  -8.105
  115    HE2  PHE  13           HE1      PHE  13 -18.906   0.537  -8.355
  116    HZ   PHE  13           HZ       PHE  13 -17.634   2.333  -9.459
  117    HA   PRO  14           HA       PRO  14 -21.332   3.195  -0.980
  118    HB2  PRO  14           2HB      PRO  14 -23.356   2.052  -2.378
  119    HB3  PRO  14           3HB      PRO  14 -22.913   3.754  -2.553
  120    HG2  PRO  14           2HG      PRO  14 -22.301   1.444  -4.327
  121    HG3  PRO  14           3HG      PRO  14 -22.632   3.134  -4.751
  122    HD2  PRO  14           2HD      PRO  14 -20.138   2.026  -4.709
  123    HD3  PRO  14           3HD      PRO  14 -20.511   3.757  -4.570
  124    H    SEP  15           H        SEP  15 -20.055   0.491  -2.755
  125    HA   SEP  15           HA       SEP  15 -21.521  -1.550  -1.295
  126    HB2  SEP  15           2HB      SEP  15 -19.078  -1.632  -3.182
  127    HB3  SEP  15           3HB      SEP  15 -19.537  -3.069  -2.303
  128    H    SER  16           H        SER  16 -18.502   0.138  -0.878
  129    HA   SER  16           HA       SER  16 -17.651  -1.441   1.366
  130    HB2  SER  16           2HB      SER  16 -16.660   1.050   0.023
  131    HB3  SER  16           3HB      SER  16 -16.042   0.615   1.616
  132    HG   SER  16           HG       SER  16 -15.993  -1.032  -0.697
  133    H    GLU  17           H        GLU  17 -19.583   1.396   0.877
  134    HA   GLU  17           HA       GLU  17 -19.419   2.333   3.585
  135    HB2  GLU  17           2HB      GLU  17 -20.219   3.459   1.220
  136    HB3  GLU  17           3HB      GLU  17 -21.760   3.152   2.008
  137    HG2  GLU  17           2HG      GLU  17 -21.012   5.379   2.515
  138    HG3  GLU  17           3HG      GLU  17 -20.985   4.395   3.977
  Start of MODEL    8
    1    H1   ARG   1           H        ARG   1   1.438   0.120   1.580
    2    HA   ARG   1           HA       ARG   1   3.619   1.472   0.249
    3    HB2  ARG   1           2HB      ARG   1   2.750  -1.128   0.287
    4    HB3  ARG   1           3HB      ARG   1   2.149  -0.567  -1.268
    5    HG2  ARG   1           2HG      ARG   1   4.457   0.212  -1.798
    6    HG3  ARG   1           3HG      ARG   1   4.999  -0.561  -0.307
    7    HD2  ARG   1           2HD      ARG   1   3.704  -2.625  -1.361
    8    HD3  ARG   1           3HD      ARG   1   4.079  -1.771  -2.858
    9    HE   ARG   1           HE       ARG   1   6.441  -1.865  -1.464
   10   HH11  ARG   1          1HH1      ARG   1   4.155  -4.190  -2.684
   11   HH12  ARG   1          2HH1      ARG   1   5.344  -5.426  -2.929
   12   HH21  ARG   1          1HH2      ARG   1   8.017  -3.484  -1.782
   13   HH22  ARG   1          2HH2      ARG   1   7.540  -5.024  -2.415
   14    H    SER   2           H        SER   2   3.402   1.968  -2.127
   15    HA   SER   2           HA       SER   2   1.235   3.815  -2.478
   16    HB2  SER   2           2HB      SER   2   2.386   3.960  -4.847
   17    HB3  SER   2           3HB      SER   2   3.174   4.647  -3.427
   18    HG   SER   2           HG       SER   2   4.757   3.421  -4.133
   19    H    LYS   3           H        LYS   3   1.945   0.576  -3.481
   20    HA   LYS   3           HA       LYS   3   0.076   0.488  -5.647
   21    HB2  LYS   3           2HB      LYS   3   2.137  -1.121  -4.803
   22    HB3  LYS   3           3HB      LYS   3   0.723  -2.065  -4.352
   23    HG2  LYS   3           2HG      LYS   3   0.200  -1.167  -6.939
   24    HG3  LYS   3           3HG      LYS   3   1.899  -1.646  -6.943
   25    HD2  LYS   3           2HD      LYS   3   1.422  -3.843  -6.465
   26    HD3  LYS   3           3HD      LYS   3  -0.098  -3.448  -5.659
   27    HE2  LYS   3           2HE      LYS   3  -0.641  -2.618  -8.171
   28    HE3  LYS   3           3HE      LYS   3   0.471  -3.943  -8.508
   29    HZ1  LYS   3           3HZ      LYS   3  -1.295  -5.254  -8.290
   30    HZ2  LYS   3           1HZ      LYS   3  -2.240  -4.033  -7.598
   31    HZ3  LYS   3           2HZ      LYS   3  -1.212  -4.960  -6.626
   32    H    ASP   4           H        ASP   4  -0.044  -0.141  -2.211
   33    HA   ASP   4           HA       ASP   4  -2.571  -1.479  -2.247
   34    HB2  ASP   4           2HB      ASP   4  -0.574  -0.796  -0.294
   35    HB3  ASP   4           3HB      ASP   4  -2.164  -0.322   0.298
   36    H    LEU   5           H        LEU   5  -1.571   1.798  -2.368
   37    HA   LEU   5           HA       LEU   5  -3.730   3.100  -1.166
   38    HB2  LEU   5           2HB      LEU   5  -1.523   3.787  -2.882
   39    HB3  LEU   5           3HB      LEU   5  -2.977   4.655  -3.371
   40    HG   LEU   5           HG       LEU   5  -1.676   6.015  -1.861
   41   HD11  LEU   5          1HD1      LEU   5  -3.941   5.057  -0.167
   42   HD12  LEU   5          2HD1      LEU   5  -4.262   5.807  -1.730
   43   HD13  LEU   5          3HD1      LEU   5  -3.392   6.703  -0.485
   44   HD21  LEU   5          3HD2      LEU   5  -1.169   3.553  -0.568
   45   HD22  LEU   5          1HD2      LEU   5  -1.987   4.600   0.593
   46   HD23  LEU   5          2HD2      LEU   5  -0.504   5.144  -0.192
   47    H    ARG   6           H        ARG   6  -3.539   1.342  -4.110
   48    HA   ARG   6           HA       ARG   6  -5.746   2.587  -5.432
   49    HB2  ARG   6           2HB      ARG   6  -3.809   0.592  -6.042
   50    HB3  ARG   6           3HB      ARG   6  -5.401  -0.100  -6.323
   51    HG2  ARG   6           2HG      ARG   6  -5.852   2.101  -7.616
   52    HG3  ARG   6           3HG      ARG   6  -4.092   2.230  -7.651
   53    HD2  ARG   6           2HD      ARG   6  -4.295  -0.286  -8.452
   54    HD3  ARG   6           3HD      ARG   6  -5.888   0.263  -8.971
   55    HE   ARG   6           HE       ARG   6  -4.147   2.145  -9.930
   56   HH11  ARG   6          1HH1      ARG   6  -4.498  -1.304 -10.247
   57   HH12  ARG   6          2HH1      ARG   6  -3.821  -1.358 -11.841
   58   HH21  ARG   6          1HH2      ARG   6  -3.254   2.087 -12.028
   59   HH22  ARG   6          2HH2      ARG   6  -3.113   0.572 -12.853
   60    H    HIS   7           H        HIS   7  -5.420   0.210  -2.969
   61    HA   HIS   7           HA       HIS   7  -7.940  -1.081  -3.379
   62    HB2  HIS   7           2HB      HIS   7  -6.088  -1.006  -0.990
   63    HB3  HIS   7           3HB      HIS   7  -7.534  -2.006  -1.087
   64    HD1  HIS   7           HD1      HIS   7  -4.482  -1.475  -3.314
   65    HD2  HIS   7           HD2      HIS   7  -6.882  -4.515  -1.810
   66    HE1  HIS   7           HE1      HIS   7  -3.501  -3.611  -4.208
   67    H    ALA   8           H        ALA   8  -6.935   1.851  -1.920
   68    HA   ALA   8           HA       ALA   8  -9.035   2.150  -0.031
   69    HB1  ALA   8           1HB      ALA   8  -6.929   3.424   0.069
   70    HB2  ALA   8           2HB      ALA   8  -7.412   4.302  -1.383
   71    HB3  ALA   8           3HB      ALA   8  -8.351   4.467   0.100
   72    H    PHE   9           H        PHE   9  -8.805   2.618  -3.452
   73    HA   PHE   9           HA       PHE   9 -10.804   4.483  -3.923
   74    HB2  PHE   9           2HB      PHE   9  -9.520   2.322  -5.466
   75    HB3  PHE   9           3HB      PHE   9 -11.117   2.794  -6.036
   76    HD1  PHE   9           HD1      PHE   9 -11.523   5.040  -6.884
   77    HD2  PHE   9           HD2      PHE   9  -7.645   3.808  -5.636
   78    HE1  PHE   9           HE1      PHE   9 -10.539   6.973  -8.046
   79    HE2  PHE   9           HE2      PHE   9  -6.655   5.739  -6.795
   80    HZ   PHE   9           HZ       PHE   9  -8.102   7.325  -8.001
   81    H    ARG  10           H        ARG  10 -11.041   1.099  -3.083
   82    HA   ARG  10           HA       ARG  10 -13.752   0.708  -3.767
   83    HB2  ARG  10           2HB      ARG  10 -11.855  -0.676  -1.893
   84    HB3  ARG  10           3HB      ARG  10 -13.550  -1.141  -1.957
   85    HG2  ARG  10           2HG      ARG  10 -12.864  -1.135  -4.599
   86    HG3  ARG  10           3HG      ARG  10 -11.378  -1.690  -3.826
   87    HD2  ARG  10           2HD      ARG  10 -12.305  -3.636  -3.137
   88    HD3  ARG  10           3HD      ARG  10 -13.883  -2.904  -2.850
   89    HE   ARG  10           HE       ARG  10 -13.423  -2.975  -5.611
   90   HH11  ARG  10          1HH1      ARG  10 -13.987  -5.149  -2.951
   91   HH12  ARG  10          2HH1      ARG  10 -14.738  -6.363  -3.932
   92   HH21  ARG  10          1HH2      ARG  10 -14.409  -4.566  -6.913
   93   HH22  ARG  10          2HH2      ARG  10 -14.977  -6.031  -6.186
   94    H    SER  11           H        SER  11 -12.182   2.132  -1.002
   95    HA   SER  11           HA       SER  11 -14.352   2.017   0.804
   96    HB2  SER  11           2HB      SER  11 -11.746   2.783   1.004
   97    HB3  SER  11           3HB      SER  11 -12.556   4.350   1.027
   98    HG   SER  11           HG       SER  11 -12.759   2.209   2.834
   99    H    MET  12           H        MET  12 -13.607   4.099  -1.867
  100    HA   MET  12           HA       MET  12 -15.368   6.226  -1.114
  101    HB2  MET  12           2HB      MET  12 -13.347   6.260  -2.753
  102    HB3  MET  12           3HB      MET  12 -14.512   5.689  -3.940
  103    HG2  MET  12           2HG      MET  12 -15.741   7.851  -2.673
  104    HG3  MET  12           3HG      MET  12 -14.070   8.342  -2.937
  105    HE1  MET  12           3HE      MET  12 -17.196   9.036  -5.829
  106    HE2  MET  12           1HE      MET  12 -17.482   8.245  -4.278
  107    HE3  MET  12           2HE      MET  12 -16.642   9.795  -4.336
  108    H    PHE  13           H        PHE  13 -15.707   3.201  -2.764
  109    HA   PHE  13           HA       PHE  13 -18.122   3.785  -4.145
  110    HB2  PHE  13           2HB      PHE  13 -16.464   1.416  -3.617
  111    HB3  PHE  13           3HB      PHE  13 -18.184   1.071  -3.771
  112    HD1  PHE  13           HD2      PHE  13 -15.916   3.469  -5.509
  113    HD2  PHE  13           HD1      PHE  13 -18.608   0.189  -5.845
  114    HE1  PHE  13           HE2      PHE  13 -15.710   3.555  -7.959
  115    HE2  PHE  13           HE1      PHE  13 -18.405   0.269  -8.296
  116    HZ   PHE  13           HZ       PHE  13 -16.955   1.954  -9.356
  117    HA   PRO  14           HA       PRO  14 -21.162   3.302  -1.011
  118    HB2  PRO  14           2HB      PRO  14 -23.190   2.108  -2.356
  119    HB3  PRO  14           3HB      PRO  14 -22.715   3.787  -2.636
  120    HG2  PRO  14           2HG      PRO  14 -22.122   1.355  -4.248
  121    HG3  PRO  14           3HG      PRO  14 -22.431   3.016  -4.787
  122    HD2  PRO  14           2HD      PRO  14 -19.959   1.873  -4.641
  123    HD3  PRO  14           3HD      PRO  14 -20.280   3.619  -4.627
  124    H    SEP  15           H        SEP  15 -19.905   0.477  -2.603
  125    HA   SEP  15           HA       SEP  15 -21.417  -1.451  -1.041
  126    HB2  SEP  15           2HB      SEP  15 -18.802  -1.836  -2.678
  127    HB3  SEP  15           3HB      SEP  15 -19.726  -3.148  -1.991
  128    H    SER  16           H        SER  16 -18.379   0.219  -0.689
  129    HA   SER  16           HA       SER  16 -17.549  -1.236   1.637
  130    HB2  SER  16           2HB      SER  16 -16.013  -0.015   0.024
  131    HB3  SER  16           3HB      SER  16 -16.565   1.486   0.767
  132    HG   SER  16           HG       SER  16 -15.046  -0.601   1.888
  133    H    GLU  17           H        GLU  17 -19.515   1.550   1.013
  134    HA   GLU  17           HA       GLU  17 -19.384   2.638   3.655
  135    HB2  GLU  17           2HB      GLU  17 -20.383   3.477   1.184
  136    HB3  GLU  17           3HB      GLU  17 -21.803   3.320   2.210
  137    HG2  GLU  17           2HG      GLU  17 -21.269   5.109   3.433
  138    HG3  GLU  17           3HG      GLU  17 -19.561   4.680   3.496
  Start of MODEL    9
    1    H1   ARG   1           H        ARG   1   3.805   2.168  -0.358
    2    HA   ARG   1           HA       ARG   1   3.154  -0.314  -1.765
    3    HB2  ARG   1           2HB      ARG   1   1.693   0.772   0.640
    4    HB3  ARG   1           3HB      ARG   1   0.968  -0.378  -0.475
    5    HG2  ARG   1           2HG      ARG   1   1.903  -2.045   0.635
    6    HG3  ARG   1           3HG      ARG   1   3.503  -1.389   0.284
    7    HD2  ARG   1           2HD      ARG   1   3.304   0.074   2.259
    8    HD3  ARG   1           3HD      ARG   1   1.741  -0.657   2.620
    9    HE   ARG   1           HE       ARG   1   4.329  -1.769   3.144
   10   HH11  ARG   1          1HH1      ARG   1   0.990  -2.520   2.508
   11   HH12  ARG   1          2HH1      ARG   1   1.050  -4.061   3.298
   12   HH21  ARG   1          1HH2      ARG   1   4.421  -3.796   4.187
   13   HH22  ARG   1          2HH2      ARG   1   3.002  -4.786   4.253
   14    H    SER   2           H        SER   2   3.253   1.152  -3.590
   15    HA   SER   2           HA       SER   2   1.202   3.208  -3.749
   16    HB2  SER   2           2HB      SER   2   2.197   3.646  -6.003
   17    HB3  SER   2           3HB      SER   2   3.361   3.770  -4.683
   18    HG   SER   2           HG       SER   2   4.471   2.334  -5.722
   19    H    LYS   3           H        LYS   3   1.801  -0.033  -4.844
   20    HA   LYS   3           HA       LYS   3  -0.184  -0.059  -6.900
   21    HB2  LYS   3           2HB      LYS   3   1.021  -2.397  -5.409
   22    HB3  LYS   3           3HB      LYS   3   0.170  -2.464  -6.947
   23    HG2  LYS   3           2HG      LYS   3   2.158  -0.652  -7.455
   24    HG3  LYS   3           3HG      LYS   3   2.946  -1.797  -6.366
   25    HD2  LYS   3           2HD      LYS   3   1.329  -2.766  -8.695
   26    HD3  LYS   3           3HD      LYS   3   3.001  -2.244  -8.916
   27    HE2  LYS   3           2HE      LYS   3   3.814  -4.103  -7.976
   28    HE3  LYS   3           3HE      LYS   3   2.657  -4.039  -6.648
   29    HZ1  LYS   3           3HZ      LYS   3   1.937  -5.910  -7.670
   30    HZ2  LYS   3           1HZ      LYS   3   2.478  -5.439  -9.202
   31    HZ3  LYS   3           2HZ      LYS   3   1.043  -4.798  -8.577
   32    H    ASP   4           H        ASP   4  -0.148  -0.721  -3.468
   33    HA   ASP   4           HA       ASP   4  -2.759  -1.932  -3.440
   34    HB2  ASP   4           2HB      ASP   4  -0.591  -1.586  -1.589
   35    HB3  ASP   4           3HB      ASP   4  -2.087  -1.027  -0.845
   36    H    LEU   5           H        LEU   5  -1.504   1.257  -3.364
   37    HA   LEU   5           HA       LEU   5  -3.467   2.611  -1.911
   38    HB2  LEU   5           2HB      LEU   5  -1.214   3.369  -3.102
   39    HB3  LEU   5           3HB      LEU   5  -2.350   3.893  -4.344
   40    HG   LEU   5           HG       LEU   5  -3.518   5.237  -2.576
   41   HD11  LEU   5          1HD1      LEU   5  -3.007   4.696  -0.471
   42   HD12  LEU   5          2HD1      LEU   5  -1.562   5.678  -0.714
   43   HD13  LEU   5          3HD1      LEU   5  -1.488   3.930  -0.938
   44   HD21  LEU   5          3HD2      LEU   5  -0.787   6.303  -2.549
   45   HD22  LEU   5          1HD2      LEU   5  -2.281   7.014  -3.161
   46   HD23  LEU   5          2HD2      LEU   5  -1.387   5.856  -4.147
   47    H    ARG   6           H        ARG   6  -3.611   1.105  -4.994
   48    HA   ARG   6           HA       ARG   6  -5.789   2.625  -6.050
   49    HB2  ARG   6           2HB      ARG   6  -4.264   1.400  -7.520
   50    HB3  ARG   6           3HB      ARG   6  -4.766  -0.121  -6.794
   51    HG2  ARG   6           2HG      ARG   6  -6.973   0.104  -7.695
   52    HG3  ARG   6           3HG      ARG   6  -6.616   1.732  -8.275
   53    HD2  ARG   6           2HD      ARG   6  -5.004   0.872  -9.843
   54    HD3  ARG   6           3HD      ARG   6  -5.181  -0.756  -9.189
   55    HE   ARG   6           HE       ARG   6  -6.904   0.546 -11.075
   56   HH11  ARG   6          1HH1      ARG   6  -6.728  -1.883  -8.588
   57   HH12  ARG   6          2HH1      ARG   6  -8.071  -2.792  -9.198
   58   HH21  ARG   6          1HH2      ARG   6  -8.672  -0.642 -11.889
   59   HH22  ARG   6          2HH2      ARG   6  -9.175  -2.086 -11.077
   60    H    HIS   7           H        HIS   7  -5.500   0.024  -3.820
   61    HA   HIS   7           HA       HIS   7  -8.143  -1.026  -4.154
   62    HB2  HIS   7           2HB      HIS   7  -6.073  -1.337  -1.978
   63    HB3  HIS   7           3HB      HIS   7  -7.643  -2.133  -1.925
   64    HD1  HIS   7           HD1      HIS   7  -5.075  -1.814  -4.724
   65    HD2  HIS   7           HD2      HIS   7  -7.219  -4.698  -2.639
   66    HE1  HIS   7           HE1      HIS   7  -4.462  -4.008  -5.789
   67    H    ALA   8           H        ALA   8  -6.792   1.668  -2.523
   68    HA   ALA   8           HA       ALA   8  -8.718   1.956  -0.459
   69    HB1  ALA   8           1HB      ALA   8  -6.470   3.053  -0.515
   70    HB2  ALA   8           2HB      ALA   8  -7.107   4.157  -1.735
   71    HB3  ALA   8           3HB      ALA   8  -7.807   4.133  -0.117
   72    H    PHE   9           H        PHE   9  -8.702   2.715  -3.836
   73    HA   PHE   9           HA       PHE   9 -10.626   4.741  -3.928
   74    HB2  PHE   9           2HB      PHE   9  -9.140   3.417  -5.790
   75    HB3  PHE   9           3HB      PHE   9 -10.743   2.765  -6.112
   76    HD1  PHE   9           HD1      PHE   9 -12.555   4.228  -6.850
   77    HD2  PHE   9           HD2      PHE   9  -8.605   5.700  -6.258
   78    HE1  PHE   9           HE1      PHE   9 -13.119   6.249  -8.135
   79    HE2  PHE   9           HE2      PHE   9  -9.164   7.724  -7.541
   80    HZ   PHE   9           HZ       PHE   9 -11.423   8.001  -8.481
   81    H    ARG  10           H        ARG  10 -10.935   1.309  -3.457
   82    HA   ARG  10           HA       ARG  10 -13.697   1.092  -4.074
   83    HB2  ARG  10           2HB      ARG  10 -11.599  -0.619  -3.014
   84    HB3  ARG  10           3HB      ARG  10 -13.137  -0.897  -2.209
   85    HG2  ARG  10           2HG      ARG  10 -14.054  -0.956  -4.665
   86    HG3  ARG  10           3HG      ARG  10 -12.374  -1.338  -5.049
   87    HD2  ARG  10           2HD      ARG  10 -13.803  -2.819  -2.877
   88    HD3  ARG  10           3HD      ARG  10 -14.053  -3.261  -4.566
   89    HE   ARG  10           HE       ARG  10 -11.760  -3.824  -2.971
   90   HH11  ARG  10          1HH1      ARG  10 -12.806  -3.125  -6.217
   91   HH12  ARG  10          2HH1      ARG  10 -11.475  -3.945  -6.962
   92   HH21  ARG  10          1HH2      ARG  10 -10.002  -4.908  -3.941
   93   HH22  ARG  10          2HH2      ARG  10  -9.881  -4.960  -5.667
   94    H    SER  11           H        SER  11 -11.923   2.076  -1.249
   95    HA   SER  11           HA       SER  11 -13.956   1.742   0.676
   96    HB2  SER  11           2HB      SER  11 -11.585   2.118   1.259
   97    HB3  SER  11           3HB      SER  11 -11.704   3.767   0.646
   98    HG   SER  11           HG       SER  11 -12.080   3.971   2.777
   99    H    MET  12           H        MET  12 -13.377   4.172  -1.735
  100    HA   MET  12           HA       MET  12 -15.080   6.165  -0.586
  101    HB2  MET  12           2HB      MET  12 -13.169   6.462  -2.309
  102    HB3  MET  12           3HB      MET  12 -14.378   6.012  -3.503
  103    HG2  MET  12           2HG      MET  12 -15.639   7.919  -3.138
  104    HG3  MET  12           3HG      MET  12 -14.921   8.208  -1.555
  105    HE1  MET  12           3HE      MET  12 -14.074  11.294  -2.906
  106    HE2  MET  12           1HE      MET  12 -14.504  10.266  -1.539
  107    HE3  MET  12           2HE      MET  12 -12.820  10.714  -1.810
  108    H    PHE  13           H        PHE  13 -15.533   3.393  -2.608
  109    HA   PHE  13           HA       PHE  13 -18.026   4.149  -3.746
  110    HB2  PHE  13           2HB      PHE  13 -16.335   1.757  -3.672
  111    HB3  PHE  13           3HB      PHE  13 -18.058   1.397  -3.712
  112    HD1  PHE  13           HD2      PHE  13 -15.875   3.951  -5.342
  113    HD2  PHE  13           HD1      PHE  13 -18.775   0.872  -5.818
  114    HE1  PHE  13           HE2      PHE  13 -15.898   4.353  -7.769
  115    HE2  PHE  13           HE1      PHE  13 -18.801   1.268  -8.247
  116    HZ   PHE  13           HZ       PHE  13 -17.362   3.011  -9.225
  117    HA   PRO  14           HA       PRO  14 -20.872   3.238  -0.525
  118    HB2  PRO  14           2HB      PRO  14 -22.982   2.223  -1.893
  119    HB3  PRO  14           3HB      PRO  14 -22.520   3.928  -1.972
  120    HG2  PRO  14           2HG      PRO  14 -22.030   1.739  -3.930
  121    HG3  PRO  14           3HG      PRO  14 -22.371   3.455  -4.220
  122    HD2  PRO  14           2HD      PRO  14 -19.891   2.324  -4.384
  123    HD3  PRO  14           3HD      PRO  14 -20.221   4.047  -4.108
  124    H    SEP  15           H        SEP  15 -19.710   0.661  -2.545
  125    HA   SEP  15           HA       SEP  15 -21.136  -1.470  -1.177
  126    HB2  SEP  15           2HB      SEP  15 -20.234  -2.829  -2.849
  127    HB3  SEP  15           3HB      SEP  15 -19.704  -1.338  -3.586
  128    H    SER  16           H        SER  16 -18.084   0.160  -0.767
  129    HA   SER  16           HA       SER  16 -17.119  -1.586   1.287
  130    HB2  SER  16           2HB      SER  16 -15.534  -0.321  -0.051
  131    HB3  SER  16           3HB      SER  16 -16.258   1.200   0.470
  132    HG   SER  16           HG       SER  16 -15.239   1.062   2.321
  133    H    GLU  17           H        GLU  17 -19.051   1.316   1.174
  134    HA   GLU  17           HA       GLU  17 -18.907   1.691   4.055
  135    HB2  GLU  17           2HB      GLU  17 -19.441   3.369   1.841
  136    HB3  GLU  17           3HB      GLU  17 -20.911   3.321   2.804
  137    HG2  GLU  17           2HG      GLU  17 -19.106   3.693   4.753
  138    HG3  GLU  17           3HG      GLU  17 -18.280   4.492   3.416
  Start of MODEL   10
    1    H1   ARG   1           H        ARG   1   1.581  -0.737   0.647
    2    HA   ARG   1           HA       ARG   1   3.567   0.271  -1.119
    3    HB2  ARG   1           2HB      ARG   1   1.327  -1.711  -1.549
    4    HB3  ARG   1           3HB      ARG   1   2.569  -1.358  -2.743
    5    HG2  ARG   1           2HG      ARG   1   3.273  -2.284   0.018
    6    HG3  ARG   1           3HG      ARG   1   2.868  -3.422  -1.269
    7    HD2  ARG   1           2HD      ARG   1   4.712  -2.783  -2.567
    8    HD3  ARG   1           3HD      ARG   1   4.952  -1.297  -1.648
    9    HE   ARG   1           HE       ARG   1   5.276  -3.603  -0.012
   10   HH11  ARG   1          1HH1      ARG   1   6.863  -1.648  -2.417
   11   HH12  ARG   1          2HH1      ARG   1   8.460  -2.062  -1.888
   12   HH21  ARG   1          1HH2      ARG   1   7.373  -4.156   0.693
   13   HH22  ARG   1          2HH2      ARG   1   8.749  -3.490  -0.119
   14    H    SER   2           H        SER   2   3.087   0.893  -3.401
   15    HA   SER   2           HA       SER   2   1.167   3.054  -3.399
   16    HB2  SER   2           2HB      SER   2   2.633   2.362  -5.888
   17    HB3  SER   2           3HB      SER   2   2.367   3.934  -5.135
   18    HG   SER   2           HG       SER   2   4.532   2.434  -5.016
   19    H    LYS   3           H        LYS   3   1.432  -0.159  -4.678
   20    HA   LYS   3           HA       LYS   3  -0.615   0.116  -6.660
   21    HB2  LYS   3           2HB      LYS   3  -0.521  -2.379  -6.722
   22    HB3  LYS   3           3HB      LYS   3   1.038  -1.600  -6.961
   23    HG2  LYS   3           2HG      LYS   3   1.882  -2.807  -5.314
   24    HG3  LYS   3           3HG      LYS   3   0.744  -2.063  -4.188
   25    HD2  LYS   3           2HD      LYS   3  -0.700  -3.829  -4.266
   26    HD3  LYS   3           3HD      LYS   3  -0.262  -4.255  -5.922
   27    HE2  LYS   3           2HE      LYS   3   2.070  -4.746  -4.650
   28    HE3  LYS   3           3HE      LYS   3   0.923  -5.108  -3.362
   29    HZ1  LYS   3           3HZ      LYS   3  -0.251  -6.485  -5.171
   30    HZ2  LYS   3           1HZ      LYS   3   1.141  -7.116  -4.447
   31    HZ3  LYS   3           2HZ      LYS   3   1.231  -6.416  -5.983
   32    H    ASP   4           H        ASP   4  -0.526  -0.618  -3.268
   33    HA   ASP   4           HA       ASP   4  -3.138  -1.781  -3.131
   34    HB2  ASP   4           2HB      ASP   4  -0.951  -1.283  -1.326
   35    HB3  ASP   4           3HB      ASP   4  -2.459  -0.732  -0.602
   36    H    LEU   5           H        LEU   5  -1.910   1.417  -3.265
   37    HA   LEU   5           HA       LEU   5  -3.865   2.841  -1.868
   38    HB2  LEU   5           2HB      LEU   5  -2.133   3.527  -4.219
   39    HB3  LEU   5           3HB      LEU   5  -3.286   4.684  -3.557
   40    HG   LEU   5           HG       LEU   5  -1.030   3.434  -1.991
   41   HD11  LEU   5          1HD1      LEU   5  -0.049   5.742  -2.157
   42   HD12  LEU   5          2HD1      LEU   5  -1.228   6.071  -3.426
   43   HD13  LEU   5          3HD1      LEU   5  -0.025   4.800  -3.647
   44   HD21  LEU   5          3HD2      LEU   5  -2.105   5.943  -1.042
   45   HD22  LEU   5          1HD2      LEU   5  -1.887   4.415  -0.189
   46   HD23  LEU   5          2HD2      LEU   5  -3.352   4.697  -1.130
   47    H    ARG   6           H        ARG   6  -4.038   1.150  -4.852
   48    HA   ARG   6           HA       ARG   6  -6.243   2.586  -5.967
   49    HB2  ARG   6           2HB      ARG   6  -4.557   0.368  -6.717
   50    HB3  ARG   6           3HB      ARG   6  -6.246  -0.027  -7.009
   51    HG2  ARG   6           2HG      ARG   6  -6.401   1.382  -8.737
   52    HG3  ARG   6           3HG      ARG   6  -5.478   2.643  -7.916
   53    HD2  ARG   6           2HD      ARG   6  -3.878   0.316  -8.658
   54    HD3  ARG   6           3HD      ARG   6  -4.605   1.137 -10.038
   55    HE   ARG   6           HE       ARG   6  -3.367   2.977  -8.253
   56   HH11  ARG   6          1HH1      ARG   6  -2.713   0.668 -10.775
   57   HH12  ARG   6          2HH1      ARG   6  -1.245   1.439 -11.279
   58   HH21  ARG   6          1HH2      ARG   6  -1.437   4.001  -8.908
   59   HH22  ARG   6          2HH2      ARG   6  -0.520   3.334 -10.216
   60    H    HIS   7           H        HIS   7  -5.902   0.128  -3.588
   61    HA   HIS   7           HA       HIS   7  -8.538  -0.963  -3.820
   62    HB2  HIS   7           2HB      HIS   7  -6.335  -1.910  -2.671
   63    HB3  HIS   7           3HB      HIS   7  -7.023  -1.122  -1.255
   64    HD1  HIS   7           HD1      HIS   7  -8.872  -2.326  -0.061
   65    HD2  HIS   7           HD2      HIS   7  -8.025  -3.984  -3.775
   66    HE1  HIS   7           HE1      HIS   7 -10.206  -4.455  -0.167
   67    H    ALA   8           H        ALA   8  -7.194   1.840  -2.379
   68    HA   ALA   8           HA       ALA   8  -9.090   2.242  -0.308
   69    HB1  ALA   8           1HB      ALA   8  -8.176   4.405  -0.077
   70    HB2  ALA   8           2HB      ALA   8  -6.834   3.363  -0.550
   71    HB3  ALA   8           3HB      ALA   8  -7.592   4.420  -1.741
   72    H    PHE   9           H        PHE   9  -9.143   2.780  -3.729
   73    HA   PHE   9           HA       PHE   9 -11.114   4.761  -3.901
   74    HB2  PHE   9           2HB      PHE   9  -9.682   3.120  -5.696
   75    HB3  PHE   9           3HB      PHE   9 -11.389   2.867  -6.049
   76    HD1  PHE   9           HD1      PHE   9 -12.780   5.177  -6.035
   77    HD2  PHE   9           HD2      PHE   9  -8.630   4.762  -6.885
   78    HE1  PHE   9           HE1      PHE   9 -12.831   7.287  -7.300
   79    HE2  PHE   9           HE2      PHE   9  -8.675   6.871  -8.151
   80    HZ   PHE   9           HZ       PHE   9 -10.777   8.137  -8.359
   81    H    ARG  10           H        ARG  10 -11.323   1.365  -3.216
   82    HA   ARG  10           HA       ARG  10 -14.061   0.991  -3.829
   83    HB2  ARG  10           2HB      ARG  10 -12.066  -0.478  -2.139
   84    HB3  ARG  10           3HB      ARG  10 -13.764  -0.932  -2.089
   85    HG2  ARG  10           2HG      ARG  10 -13.769  -1.666  -4.280
   86    HG3  ARG  10           3HG      ARG  10 -12.350  -0.709  -4.710
   87    HD2  ARG  10           2HD      ARG  10 -11.508  -2.437  -2.677
   88    HD3  ARG  10           3HD      ARG  10 -12.513  -3.417  -3.744
   89    HE   ARG  10           HE       ARG  10  -9.916  -2.376  -4.310
   90   HH11  ARG  10          1HH1      ARG  10 -12.958  -3.273  -5.745
   91   HH12  ARG  10          2HH1      ARG  10 -12.276  -3.600  -7.303
   92   HH21  ARG  10          1HH2      ARG  10  -9.005  -2.804  -6.356
   93   HH22  ARG  10          2HH2      ARG  10 -10.027  -3.335  -7.650
   94    H    SER  11           H        SER  11 -12.391   2.349  -1.105
   95    HA   SER  11           HA       SER  11 -14.418   2.102   0.835
   96    HB2  SER  11           2HB      SER  11 -11.966   2.782   1.169
   97    HB3  SER  11           3HB      SER  11 -12.476   4.405   0.704
   98    HG   SER  11           HG       SER  11 -12.654   4.320   2.894
   99    H    MET  12           H        MET  12 -13.969   4.295  -1.822
  100    HA   MET  12           HA       MET  12 -15.820   6.275  -0.904
  101    HB2  MET  12           2HB      MET  12 -13.913   6.542  -2.621
  102    HB3  MET  12           3HB      MET  12 -15.043   5.853  -3.778
  103    HG2  MET  12           2HG      MET  12 -16.388   7.692  -3.778
  104    HG3  MET  12           3HG      MET  12 -15.955   8.145  -2.131
  105    HE1  MET  12           3HE      MET  12 -15.991  10.146  -5.039
  106    HE2  MET  12           1HE      MET  12 -14.466   9.932  -5.899
  107    HE3  MET  12           2HE      MET  12 -15.584   8.577  -5.736
  108    H    PHE  13           H        PHE  13 -16.056   3.280  -2.619
  109    HA   PHE  13           HA       PHE  13 -18.574   3.738  -3.855
  110    HB2  PHE  13           2HB      PHE  13 -16.758   1.452  -3.453
  111    HB3  PHE  13           3HB      PHE  13 -18.462   1.027  -3.579
  112    HD1  PHE  13           HD2      PHE  13 -16.013   3.267  -5.290
  113    HD2  PHE  13           HD1      PHE  13 -19.240   0.517  -5.668
  114    HE1  PHE  13           HE2      PHE  13 -15.872   3.442  -7.740
  115    HE2  PHE  13           HE1      PHE  13 -19.103   0.687  -8.119
  116    HZ   PHE  13           HZ       PHE  13 -17.418   2.151  -9.158
  117    HA   PRO  14           HA       PRO  14 -21.403   2.985  -0.579
  118    HB2  PRO  14           2HB      PRO  14 -23.422   1.697  -1.849
  119    HB3  PRO  14           3HB      PRO  14 -23.069   3.410  -2.105
  120    HG2  PRO  14           2HG      PRO  14 -22.412   1.063  -3.815
  121    HG3  PRO  14           3HG      PRO  14 -22.855   2.713  -4.289
  122    HD2  PRO  14           2HD      PRO  14 -20.304   1.732  -4.308
  123    HD3  PRO  14           3HD      PRO  14 -20.750   3.448  -4.224
  124    H    SEP  15           H        SEP  15 -20.054   0.289  -2.309
  125    HA   SEP  15           HA       SEP  15 -21.358  -1.772  -0.729
  126    HB2  SEP  15           2HB      SEP  15 -20.596  -2.853  -2.658
  127    HB3  SEP  15           3HB      SEP  15 -19.331  -1.685  -2.946
  128    H    SER  16           H        SER  16 -18.420   0.084  -0.480
  129    HA   SER  16           HA       SER  16 -17.302  -1.364   1.698
  130    HB2  SER  16           2HB      SER  16 -15.913   0.051   0.260
  131    HB3  SER  16           3HB      SER  16 -16.800   1.481   0.787
  132    HG   SER  16           HG       SER  16 -15.532   1.560   2.447
  133    H    GLU  17           H        GLU  17 -19.674   1.149   1.426
  134    HA   GLU  17           HA       GLU  17 -19.547   1.863   4.229
  135    HB2  GLU  17           2HB      GLU  17 -20.844   2.901   1.825
  136    HB3  GLU  17           3HB      GLU  17 -21.893   2.933   3.235
  137    HG2  GLU  17           2HG      GLU  17 -19.600   3.936   4.273
  138    HG3  GLU  17           3HG      GLU  17 -19.514   4.526   2.614
  Start of MODEL   11
    1    H1   ARG   1           H        ARG   1   4.707   0.090  -2.317
    2    HA   ARG   1           HA       ARG   1   2.889  -1.472  -2.600
    3    HB2  ARG   1           2HB      ARG   1   0.967  -1.245  -0.945
    4    HB3  ARG   1           3HB      ARG   1   2.440  -1.992  -0.342
    5    HG2  ARG   1           2HG      ARG   1   3.077   0.063   0.757
    6    HG3  ARG   1           3HG      ARG   1   1.672   0.888   0.080
    7    HD2  ARG   1           2HD      ARG   1   0.184  -0.565   1.323
    8    HD3  ARG   1           3HD      ARG   1   1.556  -1.487   1.936
    9    HE   ARG   1           HE       ARG   1   0.566   0.991   2.947
   10   HH11  ARG   1          1HH1      ARG   1   3.443  -0.925   2.534
   11   HH12  ARG   1          2HH1      ARG   1   4.270  -0.207   3.877
   12   HH21  ARG   1          1HH2      ARG   1   1.645   1.944   4.716
   13   HH22  ARG   1          2HH2      ARG   1   3.246   1.424   5.118
   14    H    SER   2           H        SER   2   3.429   0.745  -3.973
   15    HA   SER   2           HA       SER   2   1.412   2.750  -3.839
   16    HB2  SER   2           2HB      SER   2   3.566   3.274  -4.822
   17    HB3  SER   2           3HB      SER   2   3.351   2.023  -6.047
   18    HG   SER   2           HG       SER   2   2.199   4.551  -5.855
   19    H    LYS   3           H        LYS   3   1.692  -0.325  -5.428
   20    HA   LYS   3           HA       LYS   3  -0.415   0.104  -7.317
   21    HB2  LYS   3           2HB      LYS   3  -0.283  -2.378  -7.616
   22    HB3  LYS   3           3HB      LYS   3   1.246  -1.540  -7.843
   23    HG2  LYS   3           2HG      LYS   3   2.176  -2.430  -5.955
   24    HG3  LYS   3           3HG      LYS   3   0.618  -2.637  -5.152
   25    HD2  LYS   3           2HD      LYS   3   0.732  -4.789  -5.722
   26    HD3  LYS   3           3HD      LYS   3   0.466  -4.277  -7.390
   27    HE2  LYS   3           2HE      LYS   3   3.063  -3.869  -7.331
   28    HE3  LYS   3           3HE      LYS   3   2.998  -5.032  -6.008
   29    HZ1  LYS   3           3HZ      LYS   3   1.700  -5.620  -8.590
   30    HZ2  LYS   3           1HZ      LYS   3   2.234  -6.697  -7.399
   31    HZ3  LYS   3           2HZ      LYS   3   3.356  -5.894  -8.378
   32    H    ASP   4           H        ASP   4  -0.211  -0.987  -4.023
   33    HA   ASP   4           HA       ASP   4  -2.808  -2.190  -3.937
   34    HB2  ASP   4           2HB      ASP   4  -0.570  -1.863  -2.152
   35    HB3  ASP   4           3HB      ASP   4  -2.064  -1.423  -1.329
   36    H    LEU   5           H        LEU   5  -1.612   1.018  -3.752
   37    HA   LEU   5           HA       LEU   5  -3.536   2.254  -2.148
   38    HB2  LEU   5           2HB      LEU   5  -1.361   3.074  -3.584
   39    HB3  LEU   5           3HB      LEU   5  -2.689   3.800  -4.486
   40    HG   LEU   5           HG       LEU   5  -3.452   4.777  -2.258
   41   HD11  LEU   5          1HD1      LEU   5  -1.565   5.091  -0.634
   42   HD12  LEU   5          2HD1      LEU   5  -0.695   3.831  -1.509
   43   HD13  LEU   5          3HD1      LEU   5  -2.224   3.457  -0.713
   44   HD21  LEU   5          3HD2      LEU   5  -0.797   5.919  -2.889
   45   HD22  LEU   5          1HD2      LEU   5  -2.373   6.701  -2.770
   46   HD23  LEU   5          2HD2      LEU   5  -1.947   5.792  -4.220
   47    H    ARG   6           H        ARG   6  -3.786   0.902  -5.295
   48    HA   ARG   6           HA       ARG   6  -6.037   2.426  -6.177
   49    HB2  ARG   6           2HB      ARG   6  -4.637  -0.046  -7.110
   50    HB3  ARG   6           3HB      ARG   6  -6.238   0.315  -7.743
   51    HG2  ARG   6           2HG      ARG   6  -5.480   2.417  -8.620
   52    HG3  ARG   6           3HG      ARG   6  -3.902   2.209  -7.856
   53    HD2  ARG   6           2HD      ARG   6  -3.541   0.192  -9.239
   54    HD3  ARG   6           3HD      ARG   6  -5.081   0.497 -10.042
   55    HE   ARG   6           HE       ARG   6  -3.347   2.754 -10.183
   56   HH11  ARG   6          1HH1      ARG   6  -3.992  -0.369 -11.582
   57   HH12  ARG   6          2HH1      ARG   6  -3.291   0.029 -13.116
   58   HH21  ARG   6          1HH2      ARG   6  -2.422   3.289 -12.198
   59   HH22  ARG   6          2HH2      ARG   6  -2.398   2.110 -13.465
   60    H    HIS   7           H        HIS   7  -5.600  -0.277  -4.098
   61    HA   HIS   7           HA       HIS   7  -8.231  -1.370  -4.372
   62    HB2  HIS   7           2HB      HIS   7  -5.990  -2.414  -3.404
   63    HB3  HIS   7           3HB      HIS   7  -6.631  -1.787  -1.888
   64    HD1  HIS   7           HD1      HIS   7  -8.361  -3.174  -0.739
   65    HD2  HIS   7           HD2      HIS   7  -7.776  -4.327  -4.687
   66    HE1  HIS   7           HE1      HIS   7  -9.704  -5.280  -1.030
   67    H    ALA   8           H        ALA   8  -6.873   1.275  -2.669
   68    HA   ALA   8           HA       ALA   8  -8.703   1.423  -0.510
   69    HB1  ALA   8           1HB      ALA   8  -6.411   2.705  -1.096
   70    HB2  ALA   8           2HB      ALA   8  -7.582   3.949  -1.535
   71    HB3  ALA   8           3HB      ALA   8  -7.576   3.280   0.097
   72    H    PHE   9           H        PHE   9  -8.876   2.338  -3.848
   73    HA   PHE   9           HA       PHE   9 -10.836   4.306  -3.794
   74    HB2  PHE   9           2HB      PHE   9  -9.500   2.887  -5.760
   75    HB3  PHE   9           3HB      PHE   9 -11.181   2.421  -5.997
   76    HD1  PHE   9           HD2      PHE   9  -8.875   5.299  -5.833
   77    HD2  PHE   9           HD1      PHE   9 -12.739   3.907  -6.951
   78    HE1  PHE   9           HE2      PHE   9  -9.287   7.411  -7.025
   79    HE2  PHE   9           HE1      PHE   9 -13.156   6.017  -8.147
   80    HZ   PHE   9           HZ       PHE   9 -11.430   7.772  -8.184
   81    H    ARG  10           H        ARG  10 -11.097   0.852  -3.386
   82    HA   ARG  10           HA       ARG  10 -13.874   0.594  -3.811
   83    HB2  ARG  10           2HB      ARG  10 -12.143  -1.081  -1.986
   84    HB3  ARG  10           3HB      ARG  10 -13.679  -1.548  -2.703
   85    HG2  ARG  10           2HG      ARG  10 -12.388  -1.056  -4.948
   86    HG3  ARG  10           3HG      ARG  10 -10.982  -1.377  -3.931
   87    HD2  ARG  10           2HD      ARG  10 -11.335  -3.541  -4.321
   88    HD3  ARG  10           3HD      ARG  10 -12.758  -3.404  -3.289
   89    HE   ARG  10           HE       ARG  10 -13.482  -2.606  -5.862
   90   HH11  ARG  10          1HH1      ARG  10 -12.445  -5.478  -4.189
   91   HH12  ARG  10          2HH1      ARG  10 -13.292  -6.558  -5.247
   92   HH21  ARG  10          1HH2      ARG  10 -14.601  -4.017  -7.262
   93   HH22  ARG  10          2HH2      ARG  10 -14.517  -5.726  -6.995
   94    H    SER  11           H        SER  11 -11.994   1.699  -1.108
   95    HA   SER  11           HA       SER  11 -14.050   1.421   0.856
   96    HB2  SER  11           2HB      SER  11 -11.655   1.524   1.458
   97    HB3  SER  11           3HB      SER  11 -11.592   3.191   0.885
   98    HG   SER  11           HG       SER  11 -12.603   3.843   2.631
   99    H    MET  12           H        MET  12 -13.216   3.812  -1.512
  100    HA   MET  12           HA       MET  12 -14.678   5.965  -0.321
  101    HB2  MET  12           2HB      MET  12 -12.790   6.263  -1.935
  102    HB3  MET  12           3HB      MET  12 -13.837   5.645  -3.206
  103    HG2  MET  12           2HG      MET  12 -14.749   7.635  -3.507
  104    HG3  MET  12           3HG      MET  12 -15.151   7.765  -1.796
  105    HE1  MET  12           3HE      MET  12 -14.157   9.425  -0.253
  106    HE2  MET  12           1HE      MET  12 -12.904   8.205  -0.023
  107    HE3  MET  12           2HE      MET  12 -12.456   9.894  -0.262
  108    H    PHE  13           H        PHE  13 -15.454   3.289  -2.374
  109    HA   PHE  13           HA       PHE  13 -17.856   4.333  -3.479
  110    HB2  PHE  13           2HB      PHE  13 -16.497   1.711  -3.376
  111    HB3  PHE  13           3HB      PHE  13 -18.247   1.649  -3.559
  112    HD1  PHE  13           HD2      PHE  13 -15.592   3.889  -4.925
  113    HD2  PHE  13           HD1      PHE  13 -18.822   1.237  -5.736
  114    HE1  PHE  13           HE2      PHE  13 -15.351   4.337  -7.332
  115    HE2  PHE  13           HE1      PHE  13 -18.585   1.681  -8.145
  116    HZ   PHE  13           HZ       PHE  13 -16.849   3.234  -8.946
  117    HA   PRO  14           HA       PRO  14 -20.758   3.699  -0.241
  118    HB2  PRO  14           2HB      PRO  14 -22.981   2.954  -1.602
  119    HB3  PRO  14           3HB      PRO  14 -22.329   4.596  -1.661
  120    HG2  PRO  14           2HG      PRO  14 -22.115   2.399  -3.658
  121    HG3  PRO  14           3HG      PRO  14 -22.248   4.149  -3.917
  122    HD2  PRO  14           2HD      PRO  14 -19.927   2.730  -4.120
  123    HD3  PRO  14           3HD      PRO  14 -20.042   4.477  -3.825
  124    H    SEP  15           H        SEP  15 -19.911   1.040  -2.309
  125    HA   SEP  15           HA       SEP  15 -21.561  -0.937  -0.962
  126    HB2  SEP  15           2HB      SEP  15 -20.522  -1.109  -3.388
  127    HB3  SEP  15           3HB      SEP  15 -19.018  -1.557  -2.624
  128    H    SER  16           H        SER  16 -18.341   0.328  -0.552
  129    HA   SER  16           HA       SER  16 -17.541  -1.548   1.447
  130    HB2  SER  16           2HB      SER  16 -15.694   0.109   1.865
  131    HB3  SER  16           3HB      SER  16 -15.826  -0.423   0.189
  132    HG   SER  16           HG       SER  16 -17.178   1.891   1.033
  133    H    GLU  17           H        GLU  17 -19.310   1.434   1.443
  134    HA   GLU  17           HA       GLU  17 -19.022   1.870   4.287
  135    HB2  GLU  17           2HB      GLU  17 -20.134   3.327   2.005
  136    HB3  GLU  17           3HB      GLU  17 -21.113   3.464   3.459
  137    HG2  GLU  17           2HG      GLU  17 -19.699   5.257   3.671
  138    HG3  GLU  17           3HG      GLU  17 -18.862   4.026   4.615
  Start of MODEL   12
    1    H1   ARG   1           H        ARG   1   3.574   0.648   1.472
    2    HA   ARG   1           HA       ARG   1   4.055   0.664  -0.771
    3    HB2  ARG   1           2HB      ARG   1   1.969  -1.469  -0.416
    4    HB3  ARG   1           3HB      ARG   1   2.689  -1.167  -1.992
    5    HG2  ARG   1           2HG      ARG   1   4.915  -1.586  -1.029
    6    HG3  ARG   1           3HG      ARG   1   4.151  -1.958   0.518
    7    HD2  ARG   1           2HD      ARG   1   2.754  -3.597  -1.085
    8    HD3  ARG   1           3HD      ARG   1   4.274  -3.539  -1.976
    9    HE   ARG   1           HE       ARG   1   3.783  -4.913   0.462
   10   HH11  ARG   1          1HH1      ARG   1   6.223  -3.145  -1.283
   11   HH12  ARG   1          2HH1      ARG   1   7.546  -3.950  -0.507
   12   HH21  ARG   1          1HH2      ARG   1   5.517  -5.979   1.491
   13   HH22  ARG   1          2HH2      ARG   1   7.144  -5.562   1.070
   14    H    SER   2           H        SER   2   3.542   1.584  -2.727
   15    HA   SER   2           HA       SER   2   1.305   3.351  -2.758
   16    HB2  SER   2           2HB      SER   2   3.663   2.836  -4.445
   17    HB3  SER   2           3HB      SER   2   2.246   3.410  -5.324
   18    HG   SER   2           HG       SER   2   2.853   5.300  -4.643
   19    H    LYS   3           H        LYS   3   1.934   0.181  -4.010
   20    HA   LYS   3           HA       LYS   3  -0.126   0.135  -5.971
   21    HB2  LYS   3           2HB      LYS   3   1.745  -1.787  -4.766
   22    HB3  LYS   3           3HB      LYS   3   0.213  -2.489  -5.270
   23    HG2  LYS   3           2HG      LYS   3   0.564  -1.492  -7.519
   24    HG3  LYS   3           3HG      LYS   3   2.164  -0.970  -6.986
   25    HD2  LYS   3           2HD      LYS   3   2.952  -3.160  -6.813
   26    HD3  LYS   3           3HD      LYS   3   1.324  -3.841  -6.766
   27    HE2  LYS   3           2HE      LYS   3   1.807  -2.349  -9.204
   28    HE3  LYS   3           3HE      LYS   3   2.984  -3.643  -8.983
   29    HZ1  LYS   3           3HZ      LYS   3   1.286  -4.716 -10.066
   30    HZ2  LYS   3           1HZ      LYS   3   0.067  -3.823  -9.304
   31    HZ3  LYS   3           2HZ      LYS   3   0.882  -5.038  -8.455
   32    H    ASP   4           H        ASP   4  -0.040  -0.345  -2.539
   33    HA   ASP   4           HA       ASP   4  -2.564  -1.705  -2.374
   34    HB2  ASP   4           2HB      ASP   4  -0.432  -0.993  -0.573
   35    HB3  ASP   4           3HB      ASP   4  -1.981  -0.514   0.115
   36    H    LEU   5           H        LEU   5  -1.542   1.557  -2.629
   37    HA   LEU   5           HA       LEU   5  -3.600   2.907  -1.307
   38    HB2  LEU   5           2HB      LEU   5  -1.414   3.596  -2.860
   39    HB3  LEU   5           3HB      LEU   5  -2.792   4.197  -3.780
   40    HG   LEU   5           HG       LEU   5  -2.942   4.910  -0.964
   41   HD11  LEU   5          1HD1      LEU   5  -0.733   6.250  -2.477
   42   HD12  LEU   5          2HD1      LEU   5  -0.419   4.835  -1.474
   43   HD13  LEU   5          3HD1      LEU   5  -1.091   6.296  -0.751
   44   HD21  LEU   5          3HD2      LEU   5  -4.353   6.161  -2.230
   45   HD22  LEU   5          1HD2      LEU   5  -3.290   6.142  -3.637
   46   HD23  LEU   5          2HD2      LEU   5  -2.944   7.222  -2.285
   47    H    ARG   6           H        ARG   6  -3.631   1.089  -4.221
   48    HA   ARG   6           HA       ARG   6  -5.912   2.333  -5.413
   49    HB2  ARG   6           2HB      ARG   6  -4.078   0.203  -6.058
   50    HB3  ARG   6           3HB      ARG   6  -5.734  -0.315  -6.345
   51    HG2  ARG   6           2HG      ARG   6  -5.989   1.042  -8.111
   52    HG3  ARG   6           3HG      ARG   6  -5.091   2.361  -7.357
   53    HD2  ARG   6           2HD      ARG   6  -3.006   0.948  -7.778
   54    HD3  ARG   6           3HD      ARG   6  -4.025  -0.024  -8.840
   55    HE   ARG   6           HE       ARG   6  -2.979   2.598  -9.365
   56   HH11  ARG   6          1HH1      ARG   6  -5.515   0.333 -10.110
   57   HH12  ARG   6          2HH1      ARG   6  -5.856   1.024 -11.662
   58   HH21  ARG   6          1HH2      ARG   6  -3.418   3.517 -11.406
   59   HH22  ARG   6          2HH2      ARG   6  -4.661   2.835 -12.399
   60    H    HIS   7           H        HIS   7  -5.439   0.001  -2.932
   61    HA   HIS   7           HA       HIS   7  -7.966  -1.306  -3.137
   62    HB2  HIS   7           2HB      HIS   7  -5.972  -1.101  -0.876
   63    HB3  HIS   7           3HB      HIS   7  -7.435  -2.077  -0.796
   64    HD1  HIS   7           HD1      HIS   7  -4.660  -3.379  -0.559
   65    HD2  HIS   7           HD2      HIS   7  -6.769  -3.012  -4.120
   66    HE1  HIS   7           HE1      HIS   7  -3.754  -5.177  -2.066
   67    H    ALA   8           H        ALA   8  -6.929   1.705  -1.872
   68    HA   ALA   8           HA       ALA   8  -8.945   2.075   0.095
   69    HB1  ALA   8           1HB      ALA   8  -8.319   4.461  -0.034
   70    HB2  ALA   8           2HB      ALA   8  -6.926   3.395   0.155
   71    HB3  ALA   8           3HB      ALA   8  -7.295   4.091  -1.423
   72    H    PHE   9           H        PHE   9  -8.876   2.373  -3.350
   73    HA   PHE   9           HA       PHE   9 -10.914   4.199  -3.817
   74    HB2  PHE   9           2HB      PHE   9  -9.364   2.536  -5.377
   75    HB3  PHE   9           3HB      PHE   9 -10.985   1.893  -5.620
   76    HD1  PHE   9           HD1      PHE   9 -12.820   3.604  -6.236
   77    HD2  PHE   9           HD2      PHE   9  -8.647   4.354  -6.608
   78    HE1  PHE   9           HE1      PHE   9 -13.290   5.397  -7.855
   79    HE2  PHE   9           HE2      PHE   9  -9.110   6.148  -8.226
   80    HZ   PHE   9           HZ       PHE   9 -11.434   6.673  -8.851
   81    H    ARG  10           H        ARG  10 -11.075   0.859  -2.805
   82    HA   ARG  10           HA       ARG  10 -13.776   0.348  -3.366
   83    HB2  ARG  10           2HB      ARG  10 -11.796  -1.184  -2.472
   84    HB3  ARG  10           3HB      ARG  10 -12.538  -0.820  -0.920
   85    HG2  ARG  10           2HG      ARG  10 -13.970  -2.466  -1.284
   86    HG3  ARG  10           3HG      ARG  10 -14.645  -1.529  -2.619
   87    HD2  ARG  10           2HD      ARG  10 -12.162  -3.026  -3.184
   88    HD3  ARG  10           3HD      ARG  10 -13.611  -3.991  -2.906
   89    HE   ARG  10           HE       ARG  10 -14.241  -1.955  -4.717
   90   HH11  ARG  10          1HH1      ARG  10 -12.292  -4.834  -4.534
   91   HH12  ARG  10          2HH1      ARG  10 -12.395  -5.168  -6.231
   92   HH21  ARG  10          1HH2      ARG  10 -14.383  -2.384  -6.952
   93   HH22  ARG  10          2HH2      ARG  10 -13.584  -3.773  -7.606
   94    H    SER  11           H        SER  11 -12.251   2.190  -0.858
   95    HA   SER  11           HA       SER  11 -14.463   2.193   0.951
   96    HB2  SER  11           2HB      SER  11 -12.157   2.644   1.704
   97    HB3  SER  11           3HB      SER  11 -12.136   4.122   0.743
   98    HG   SER  11           HG       SER  11 -12.711   4.768   2.748
   99    H    MET  12           H        MET  12 -13.572   4.031  -1.849
  100    HA   MET  12           HA       MET  12 -15.283   6.265  -1.323
  101    HB2  MET  12           2HB      MET  12 -13.244   6.247  -2.842
  102    HB3  MET  12           3HB      MET  12 -14.239   5.400  -4.018
  103    HG2  MET  12           2HG      MET  12 -15.478   7.237  -4.507
  104    HG3  MET  12           3HG      MET  12 -15.306   7.921  -2.892
  105    HE1  MET  12           3HE      MET  12 -13.953  10.802  -3.848
  106    HE2  MET  12           1HE      MET  12 -14.318  10.378  -5.521
  107    HE3  MET  12           2HE      MET  12 -15.417   9.895  -4.229
  108    H    PHE  13           H        PHE  13 -15.676   3.128  -2.731
  109    HA   PHE  13           HA       PHE  13 -18.027   3.670  -4.234
  110    HB2  PHE  13           2HB      PHE  13 -16.434   1.329  -3.511
  111    HB3  PHE  13           3HB      PHE  13 -18.160   0.987  -3.579
  112    HD1  PHE  13           HD2      PHE  13 -16.066   3.287  -5.623
  113    HD2  PHE  13           HD1      PHE  13 -18.518  -0.191  -5.531
  114    HE1  PHE  13           HE2      PHE  13 -15.934   3.132  -8.075
  115    HE2  PHE  13           HE1      PHE  13 -18.390  -0.352  -7.982
  116    HZ   PHE  13           HZ       PHE  13 -17.097   1.312  -9.258
  117    HA   PRO  14           HA       PRO  14 -21.173   3.547  -1.169
  118    HB2  PRO  14           2HB      PRO  14 -23.203   2.320  -2.480
  119    HB3  PRO  14           3HB      PRO  14 -22.658   3.953  -2.878
  120    HG2  PRO  14           2HG      PRO  14 -22.115   1.382  -4.273
  121    HG3  PRO  14           3HG      PRO  14 -22.333   3.007  -4.949
  122    HD2  PRO  14           2HD      PRO  14 -19.910   1.788  -4.632
  123    HD3  PRO  14           3HD      PRO  14 -20.179   3.537  -4.769
  124    H    SEP  15           H        SEP  15 -19.959   0.567  -2.478
  125    HA   SEP  15           HA       SEP  15 -21.593  -1.182  -0.830
  126    HB2  SEP  15           2HB      SEP  15 -19.202  -1.569  -2.695
  127    HB3  SEP  15           3HB      SEP  15 -19.455  -2.818  -1.503
  128    H    SER  16           H        SER  16 -18.513   0.413  -0.491
  129    HA   SER  16           HA       SER  16 -17.743  -0.878   1.924
  130    HB2  SER  16           2HB      SER  16 -16.774   1.383   0.290
  131    HB3  SER  16           3HB      SER  16 -16.398   1.486   2.009
  132    HG   SER  16           HG       SER  16 -15.562  -0.703   1.780
  133    H    GLU  17           H        GLU  17 -19.666   1.942   1.160
  134    HA   GLU  17           HA       GLU  17 -19.777   2.837   3.908
  135    HB2  GLU  17           2HB      GLU  17 -19.914   4.273   1.734
  136    HB3  GLU  17           3HB      GLU  17 -21.611   3.814   1.745
  137    HG2  GLU  17           2HG      GLU  17 -21.567   4.668   4.190
  138    HG3  GLU  17           3HG      GLU  17 -20.098   5.502   3.686
  Start of MODEL   13
    1    H1   ARG   1           H        ARG   1   4.739   1.354   0.644
    2    HA   ARG   1           HA       ARG   1   3.966  -0.117  -0.999
    3    HB2  ARG   1           2HB      ARG   1   2.854  -1.389   0.986
    4    HB3  ARG   1           3HB      ARG   1   1.402  -0.521   0.505
    5    HG2  ARG   1           2HG      ARG   1   1.076  -1.817  -1.285
    6    HG3  ARG   1           3HG      ARG   1   2.789  -1.825  -1.712
    7    HD2  ARG   1           2HD      ARG   1   1.980  -3.343   0.702
    8    HD3  ARG   1           3HD      ARG   1   1.503  -4.002  -0.862
    9    HE   ARG   1           HE       ARG   1   4.221  -3.322  -0.958
   10   HH11  ARG   1          1HH1      ARG   1   2.095  -5.618   0.566
   11   HH12  ARG   1          2HH1      ARG   1   3.306  -6.850   0.696
   12   HH21  ARG   1          1HH2      ARG   1   5.824  -4.936  -0.793
   13   HH22  ARG   1          2HH2      ARG   1   5.427  -6.461  -0.077
   14    H    SER   2           H        SER   2   3.821   1.614  -2.380
   15    HA   SER   2           HA       SER   2   1.684   3.510  -2.262
   16    HB2  SER   2           2HB      SER   2   4.031   3.019  -4.005
   17    HB3  SER   2           3HB      SER   2   2.675   3.867  -4.749
   18    HG   SER   2           HG       SER   2   3.597   5.528  -3.821
   19    H    LYS   3           H        LYS   3   2.191   0.457  -3.820
   20    HA   LYS   3           HA       LYS   3   0.205   0.722  -5.837
   21    HB2  LYS   3           2HB      LYS   3   1.981  -1.361  -4.833
   22    HB3  LYS   3           3HB      LYS   3   0.405  -1.991  -5.293
   23    HG2  LYS   3           2HG      LYS   3   1.782  -0.153  -7.175
   24    HG3  LYS   3           3HG      LYS   3   2.384  -1.805  -7.020
   25    HD2  LYS   3           2HD      LYS   3   0.157  -2.669  -7.535
   26    HD3  LYS   3           3HD      LYS   3  -0.459  -1.020  -7.667
   27    HE2  LYS   3           2HE      LYS   3  -0.051  -1.419  -9.869
   28    HE3  LYS   3           3HE      LYS   3   1.542  -0.826  -9.403
   29    HZ1  LYS   3           3HZ      LYS   3   0.877  -3.315 -10.483
   30    HZ2  LYS   3           1HZ      LYS   3   1.439  -3.582  -8.909
   31    HZ3  LYS   3           2HZ      LYS   3   2.404  -2.752 -10.023
   32    H    ASP   4           H        ASP   4   0.138  -0.115  -2.470
   33    HA   ASP   4           HA       ASP   4  -2.396  -1.406  -2.458
   34    HB2  ASP   4           2HB      ASP   4  -0.386  -0.662  -0.530
   35    HB3  ASP   4           3HB      ASP   4  -1.986  -0.233   0.069
   36    H    LEU   5           H        LEU   5  -1.411   1.874  -2.631
   37    HA   LEU   5           HA       LEU   5  -3.564   3.181  -1.424
   38    HB2  LEU   5           2HB      LEU   5  -1.806   3.962  -3.737
   39    HB3  LEU   5           3HB      LEU   5  -3.009   5.043  -3.037
   40    HG   LEU   5           HG       LEU   5  -0.833   3.845  -1.354
   41   HD11  LEU   5          1HD1      LEU   5  -0.117   5.208  -3.516
   42   HD12  LEU   5          2HD1      LEU   5   0.714   5.389  -1.971
   43   HD13  LEU   5          3HD1      LEU   5  -0.497   6.573  -2.464
   44   HD21  LEU   5          3HD2      LEU   5  -2.577   4.852  -0.097
   45   HD22  LEU   5          1HD2      LEU   5  -2.617   6.262  -1.156
   46   HD23  LEU   5          2HD2      LEU   5  -1.229   5.991  -0.103
   47    H    ARG   6           H        ARG   6  -3.395   1.387  -4.347
   48    HA   ARG   6           HA       ARG   6  -5.620   2.607  -5.663
   49    HB2  ARG   6           2HB      ARG   6  -3.681   1.095  -6.606
   50    HB3  ARG   6           3HB      ARG   6  -4.788  -0.212  -6.211
   51    HG2  ARG   6           2HG      ARG   6  -5.391   0.172  -8.369
   52    HG3  ARG   6           3HG      ARG   6  -6.493   1.282  -7.551
   53    HD2  ARG   6           2HD      ARG   6  -5.654   2.913  -8.809
   54    HD3  ARG   6           3HD      ARG   6  -4.143   2.734  -7.918
   55    HE   ARG   6           HE       ARG   6  -3.216   1.728  -9.755
   56   HH11  ARG   6          1HH1      ARG   6  -6.677   1.820 -10.120
   57   HH12  ARG   6          2HH1      ARG   6  -6.649   1.274 -11.764
   58   HH21  ARG   6          1HH2      ARG   6  -3.166   1.009 -11.919
   59   HH22  ARG   6          2HH2      ARG   6  -4.651   0.813 -12.786
   60    H    HIS   7           H        HIS   7  -5.259   0.261  -3.175
   61    HA   HIS   7           HA       HIS   7  -7.767  -1.059  -3.543
   62    HB2  HIS   7           2HB      HIS   7  -5.762  -1.991  -2.306
   63    HB3  HIS   7           3HB      HIS   7  -6.170  -0.899  -0.985
   64    HD1  HIS   7           HD1      HIS   7  -8.514  -3.075  -3.036
   65    HD2  HIS   7           HD2      HIS   7  -7.198  -2.588   0.874
   66    HE1  HIS   7           HE1      HIS   7  -9.897  -4.660  -1.659
   67    H    ALA   8           H        ALA   8  -6.792   1.916  -2.150
   68    HA   ALA   8           HA       ALA   8  -8.896   2.231  -0.267
   69    HB1  ALA   8           1HB      ALA   8  -7.708   4.630  -1.534
   70    HB2  ALA   8           2HB      ALA   8  -7.999   4.271   0.168
   71    HB3  ALA   8           3HB      ALA   8  -6.619   3.552  -0.661
   72    H    PHE   9           H        PHE   9  -8.668   2.630  -3.696
   73    HA   PHE   9           HA       PHE   9 -10.682   4.470  -4.204
   74    HB2  PHE   9           2HB      PHE   9  -9.043   3.155  -5.801
   75    HB3  PHE   9           3HB      PHE   9 -10.418   2.066  -5.963
   76    HD1  PHE   9           HD1      PHE   9 -12.503   2.840  -6.978
   77    HD2  PHE   9           HD2      PHE   9  -9.067   5.342  -6.762
   78    HE1  PHE   9           HE1      PHE   9 -13.490   4.336  -8.664
   79    HE2  PHE   9           HE2      PHE   9 -10.049   6.842  -8.447
   80    HZ   PHE   9           HZ       PHE   9 -12.264   6.340  -9.400
   81    H    ARG  10           H        ARG  10 -10.890   1.101  -3.298
   82    HA   ARG  10           HA       ARG  10 -13.608   0.693  -3.970
   83    HB2  ARG  10           2HB      ARG  10 -11.666  -0.976  -3.253
   84    HB3  ARG  10           3HB      ARG  10 -12.394  -0.758  -1.667
   85    HG2  ARG  10           2HG      ARG  10 -14.607  -1.269  -3.047
   86    HG3  ARG  10           3HG      ARG  10 -13.449  -2.120  -4.071
   87    HD2  ARG  10           2HD      ARG  10 -12.656  -2.956  -1.629
   88    HD3  ARG  10           3HD      ARG  10 -14.380  -2.728  -1.342
   89    HE   ARG  10           HE       ARG  10 -14.806  -4.552  -2.657
   90   HH11  ARG  10          1HH1      ARG  10 -11.531  -3.498  -3.189
   91   HH12  ARG  10          2HH1      ARG  10 -11.107  -4.873  -4.155
   92   HH21  ARG  10          1HH2      ARG  10 -14.260  -6.367  -3.927
   93   HH22  ARG  10          2HH2      ARG  10 -12.661  -6.503  -4.575
   94    H    SER  11           H        SER  11 -12.007   2.095  -1.205
   95    HA   SER  11           HA       SER  11 -14.131   1.974   0.636
   96    HB2  SER  11           2HB      SER  11 -11.715   2.556   1.137
   97    HB3  SER  11           3HB      SER  11 -12.052   4.165   0.498
   98    HG   SER  11           HG       SER  11 -12.581   3.185   2.930
   99    H    MET  12           H        MET  12 -13.516   4.040  -2.078
  100    HA   MET  12           HA       MET  12 -15.312   6.130  -1.302
  101    HB2  MET  12           2HB      MET  12 -13.411   5.708  -3.353
  102    HB3  MET  12           3HB      MET  12 -14.951   6.007  -4.147
  103    HG2  MET  12           2HG      MET  12 -14.625   8.169  -3.849
  104    HG3  MET  12           3HG      MET  12 -14.773   7.912  -2.112
  105    HE1  MET  12           3HE      MET  12 -11.220   9.475  -4.260
  106    HE2  MET  12           1HE      MET  12 -12.412   8.509  -5.129
  107    HE3  MET  12           2HE      MET  12 -12.919   9.947  -4.244
  108    H    PHE  13           H        PHE  13 -15.618   3.073  -2.894
  109    HA   PHE  13           HA       PHE  13 -18.082   3.572  -4.220
  110    HB2  PHE  13           2HB      PHE  13 -16.397   1.214  -3.630
  111    HB3  PHE  13           3HB      PHE  13 -18.110   0.887  -3.870
  112    HD1  PHE  13           HD2      PHE  13 -15.591   3.131  -5.474
  113    HD2  PHE  13           HD1      PHE  13 -18.581   0.144  -5.979
  114    HE1  PHE  13           HE2      PHE  13 -15.261   3.217  -7.911
  115    HE2  PHE  13           HE1      PHE  13 -18.254   0.224  -8.416
  116    HZ   PHE  13           HZ       PHE  13 -16.594   1.763  -9.386
  117    HA   PRO  14           HA       PRO  14 -21.028   3.073  -0.999
  118    HB2  PRO  14           2HB      PRO  14 -23.058   1.803  -2.270
  119    HB3  PRO  14           3HB      PRO  14 -22.635   3.489  -2.589
  120    HG2  PRO  14           2HG      PRO  14 -22.023   1.048  -4.178
  121    HG3  PRO  14           3HG      PRO  14 -22.383   2.692  -4.734
  122    HD2  PRO  14           2HD      PRO  14 -19.878   1.614  -4.636
  123    HD3  PRO  14           3HD      PRO  14 -20.255   3.348  -4.639
  124    H    SEP  15           H        SEP  15 -19.713   0.261  -2.553
  125    HA   SEP  15           HA       SEP  15 -21.147  -1.686  -0.941
  126    HB2  SEP  15           2HB      SEP  15 -18.443  -2.295  -2.304
  127    HB3  SEP  15           3HB      SEP  15 -19.791  -3.375  -2.051
  128    H    SER  16           H        SER  16 -18.164   0.089  -0.649
  129    HA   SER  16           HA       SER  16 -17.230  -1.296   1.669
  130    HB2  SER  16           2HB      SER  16 -15.412   0.135   1.614
  131    HB3  SER  16           3HB      SER  16 -15.937   0.211  -0.068
  132    HG   SER  16           HG       SER  16 -15.903   2.163   1.838
  133    H    GLU  17           H        GLU  17 -19.386   1.354   1.087
  134    HA   GLU  17           HA       GLU  17 -19.299   2.370   3.778
  135    HB2  GLU  17           2HB      GLU  17 -21.163   2.901   1.461
  136    HB3  GLU  17           3HB      GLU  17 -21.302   3.700   3.021
  137    HG2  GLU  17           2HG      GLU  17 -18.709   3.789   1.555
  138    HG3  GLU  17           3HG      GLU  17 -20.032   4.841   1.056
  Start of MODEL   14
    1    H1   ARG   1           H        ARG   1   2.492   1.210   1.498
    2    HA   ARG   1           HA       ARG   1   4.023   0.134  -0.586
    3    HB2  ARG   1           2HB      ARG   1   2.438  -1.822   0.512
    4    HB3  ARG   1           3HB      ARG   1   1.437  -1.233  -0.809
    5    HG2  ARG   1           2HG      ARG   1   3.655  -1.493  -2.186
    6    HG3  ARG   1           3HG      ARG   1   4.066  -2.620  -0.891
    7    HD2  ARG   1           2HD      ARG   1   1.358  -2.993  -1.881
    8    HD3  ARG   1           3HD      ARG   1   2.571  -3.183  -3.147
    9    HE   ARG   1           HE       ARG   1   2.119  -4.922  -0.894
   10   HH11  ARG   1          1HH1      ARG   1   4.385  -3.880  -3.323
   11   HH12  ARG   1          2HH1      ARG   1   5.319  -5.338  -3.263
   12   HH21  ARG   1          1HH2      ARG   1   3.340  -6.846  -0.807
   13   HH22  ARG   1          2HH2      ARG   1   4.723  -7.025  -1.833
   14    H    SER   2           H        SER   2   3.514   1.084  -2.510
   15    HA   SER   2           HA       SER   2   1.484   3.148  -2.422
   16    HB2  SER   2           2HB      SER   2   3.369   2.463  -4.688
   17    HB3  SER   2           3HB      SER   2   2.469   3.964  -4.471
   18    HG   SER   2           HG       SER   2   3.899   4.626  -3.058
   19    H    LYS   3           H        LYS   3   1.948   0.019  -3.840
   20    HA   LYS   3           HA       LYS   3  -0.021   0.233  -5.881
   21    HB2  LYS   3           2HB      LYS   3   1.196  -2.168  -4.509
   22    HB3  LYS   3           3HB      LYS   3   0.096  -2.278  -5.878
   23    HG2  LYS   3           2HG      LYS   3   1.645  -1.493  -7.366
   24    HG3  LYS   3           3HG      LYS   3   2.524  -0.579  -6.138
   25    HD2  LYS   3           2HD      LYS   3   3.420  -2.641  -5.213
   26    HD3  LYS   3           3HD      LYS   3   2.488  -3.589  -6.374
   27    HE2  LYS   3           2HE      LYS   3   4.148  -3.417  -7.838
   28    HE3  LYS   3           3HE      LYS   3   3.976  -1.663  -7.826
   29    HZ1  LYS   3           3HZ      LYS   3   6.088  -1.783  -7.090
   30    HZ2  LYS   3           1HZ      LYS   3   5.916  -3.345  -6.463
   31    HZ3  LYS   3           2HZ      LYS   3   5.346  -2.016  -5.588
   32    H    ASP   4           H        ASP   4  -0.091  -0.640  -2.495
   33    HA   ASP   4           HA       ASP   4  -2.704  -1.770  -2.504
   34    HB2  ASP   4           2HB      ASP   4  -0.626  -1.250  -0.575
   35    HB3  ASP   4           3HB      ASP   4  -2.186  -0.739   0.065
   36    H    LEU   5           H        LEU   5  -1.505   1.441  -2.549
   37    HA   LEU   5           HA       LEU   5  -3.551   2.834  -1.254
   38    HB2  LEU   5           2HB      LEU   5  -1.309   3.673  -2.185
   39    HB3  LEU   5           3HB      LEU   5  -2.169   3.858  -3.712
   40    HG   LEU   5           HG       LEU   5  -3.430   5.142  -1.376
   41   HD11  LEU   5          1HD1      LEU   5  -0.641   5.567  -1.962
   42   HD12  LEU   5          2HD1      LEU   5  -1.633   6.231  -0.664
   43   HD13  LEU   5          3HD1      LEU   5  -1.577   7.037  -2.232
   44   HD21  LEU   5          3HD2      LEU   5  -4.315   6.484  -2.950
   45   HD22  LEU   5          1HD2      LEU   5  -3.814   5.202  -4.053
   46   HD23  LEU   5          2HD2      LEU   5  -2.796   6.625  -3.835
   47    H    ARG   6           H        ARG   6  -3.538   1.163  -4.254
   48    HA   ARG   6           HA       ARG   6  -5.693   2.583  -5.482
   49    HB2  ARG   6           2HB      ARG   6  -3.879   0.548  -6.230
   50    HB3  ARG   6           3HB      ARG   6  -5.493  -0.120  -6.428
   51    HG2  ARG   6           2HG      ARG   6  -5.925   1.147  -8.214
   52    HG3  ARG   6           3HG      ARG   6  -5.211   2.586  -7.483
   53    HD2  ARG   6           2HD      ARG   6  -3.124   2.140  -8.312
   54    HD3  ARG   6           3HD      ARG   6  -3.396   0.399  -8.356
   55    HE   ARG   6           HE       ARG   6  -3.841   2.241 -10.470
   56   HH11  ARG   6          1HH1      ARG   6  -5.091  -0.671  -9.028
   57   HH12  ARG   6          2HH1      ARG   6  -5.797  -1.252 -10.499
   58   HH21  ARG   6          1HH2      ARG   6  -4.766   1.486 -12.414
   59   HH22  ARG   6          2HH2      ARG   6  -5.610  -0.025 -12.425
   60    H    HIS   7           H        HIS   7  -5.458   0.112  -3.104
   61    HA   HIS   7           HA       HIS   7  -8.063  -1.008  -3.491
   62    HB2  HIS   7           2HB      HIS   7  -6.009  -2.051  -2.298
   63    HB3  HIS   7           3HB      HIS   7  -6.543  -1.124  -0.899
   64    HD1  HIS   7           HD1      HIS   7  -8.769  -1.850   0.224
   65    HD2  HIS   7           HD2      HIS   7  -7.570  -4.273  -2.932
   66    HE1  HIS   7           HE1      HIS   7 -10.189  -3.919   0.387
   67    H    ALA   8           H        ALA   8  -6.841   1.805  -1.963
   68    HA   ALA   8           HA       ALA   8  -8.872   2.169  -0.012
   69    HB1  ALA   8           1HB      ALA   8  -8.047   4.684  -0.454
   70    HB2  ALA   8           2HB      ALA   8  -7.145   3.524   0.522
   71    HB3  ALA   8           3HB      ALA   8  -6.696   3.798  -1.161
   72    H    PHE   9           H        PHE   9  -8.698   2.736  -3.422
   73    HA   PHE   9           HA       PHE   9 -10.642   4.721  -3.725
   74    HB2  PHE   9           2HB      PHE   9  -9.035   3.492  -5.450
   75    HB3  PHE   9           3HB      PHE   9 -10.481   2.532  -5.743
   76    HD1  PHE   9           HD1      PHE   9 -12.555   3.646  -6.536
   77    HD2  PHE   9           HD2      PHE   9  -8.834   5.696  -6.270
   78    HE1  PHE   9           HE1      PHE   9 -13.416   5.398  -8.034
   79    HE2  PHE   9           HE2      PHE   9  -9.690   7.451  -7.766
   80    HZ   PHE   9           HZ       PHE   9 -11.984   7.305  -8.650
   81    H    ARG  10           H        ARG  10 -10.926   1.310  -3.091
   82    HA   ARG  10           HA       ARG  10 -13.640   0.995  -3.834
   83    HB2  ARG  10           2HB      ARG  10 -11.865  -0.814  -3.366
   84    HB3  ARG  10           3HB      ARG  10 -12.284  -0.598  -1.672
   85    HG2  ARG  10           2HG      ARG  10 -14.458  -1.395  -1.987
   86    HG3  ARG  10           3HG      ARG  10 -14.369  -1.197  -3.738
   87    HD2  ARG  10           2HD      ARG  10 -12.481  -3.052  -2.354
   88    HD3  ARG  10           3HD      ARG  10 -14.138  -3.567  -2.668
   89    HE   ARG  10           HE       ARG  10 -12.858  -2.496  -4.991
   90   HH11  ARG  10          1HH1      ARG  10 -13.217  -5.344  -3.022
   91   HH12  ARG  10          2HH1      ARG  10 -12.839  -6.441  -4.309
   92   HH21  ARG  10          1HH2      ARG  10 -12.359  -3.929  -6.694
   93   HH22  ARG  10          2HH2      ARG  10 -12.350  -5.635  -6.397
   94    H    SER  11           H        SER  11 -12.060   2.188  -0.965
   95    HA   SER  11           HA       SER  11 -14.210   1.965   0.839
   96    HB2  SER  11           2HB      SER  11 -11.602   2.799   1.019
   97    HB3  SER  11           3HB      SER  11 -12.483   4.313   1.219
   98    HG   SER  11           HG       SER  11 -12.715   1.944   2.755
   99    H    MET  12           H        MET  12 -13.532   4.203  -1.717
  100    HA   MET  12           HA       MET  12 -15.308   6.261  -0.821
  101    HB2  MET  12           2HB      MET  12 -13.447   6.776  -2.315
  102    HB3  MET  12           3HB      MET  12 -14.126   5.727  -3.552
  103    HG2  MET  12           2HG      MET  12 -15.917   7.184  -3.959
  104    HG3  MET  12           3HG      MET  12 -15.624   8.089  -2.476
  105    HE1  MET  12           3HE      MET  12 -14.949  10.511  -5.552
  106    HE2  MET  12           1HE      MET  12 -16.238   9.413  -5.059
  107    HE3  MET  12           2HE      MET  12 -15.585  10.579  -3.908
  108    H    PHE  13           H        PHE  13 -15.639   3.324  -2.619
  109    HA   PHE  13           HA       PHE  13 -18.078   3.949  -3.937
  110    HB2  PHE  13           2HB      PHE  13 -16.454   1.514  -3.466
  111    HB3  PHE  13           3HB      PHE  13 -18.164   1.259  -3.798
  112    HD1  PHE  13           HD2      PHE  13 -15.307   3.266  -5.118
  113    HD2  PHE  13           HD1      PHE  13 -18.779   0.961  -5.983
  114    HE1  PHE  13           HE2      PHE  13 -14.873   3.522  -7.526
  115    HE2  PHE  13           HE1      PHE  13 -18.349   1.212  -8.393
  116    HZ   PHE  13           HZ       PHE  13 -16.395   2.495  -9.167
  117    HA   PRO  14           HA       PRO  14 -21.070   3.278  -0.789
  118    HB2  PRO  14           2HB      PRO  14 -23.104   2.131  -2.166
  119    HB3  PRO  14           3HB      PRO  14 -22.650   3.828  -2.367
  120    HG2  PRO  14           2HG      PRO  14 -22.054   1.486  -4.106
  121    HG3  PRO  14           3HG      PRO  14 -22.389   3.168  -4.558
  122    HD2  PRO  14           2HD      PRO  14 -19.898   2.051  -4.505
  123    HD3  PRO  14           3HD      PRO  14 -20.249   3.788  -4.395
  124    H    SEP  15           H        SEP  15 -19.779   0.559  -2.517
  125    HA   SEP  15           HA       SEP  15 -21.261  -1.471  -1.057
  126    HB2  SEP  15           2HB      SEP  15 -19.238  -1.434  -3.232
  127    HB3  SEP  15           3HB      SEP  15 -18.802  -2.652  -2.061
  128    H    SER  16           H        SER  16 -18.254   0.232  -0.613
  129    HA   SER  16           HA       SER  16 -17.363  -1.322   1.611
  130    HB2  SER  16           2HB      SER  16 -16.391   0.918   0.061
  131    HB3  SER  16           3HB      SER  16 -16.171   1.216   1.785
  132    HG   SER  16           HG       SER  16 -15.415  -1.221   0.565
  133    H    GLU  17           H        GLU  17 -19.422   1.455   1.202
  134    HA   GLU  17           HA       GLU  17 -19.375   2.255   3.954
  135    HB2  GLU  17           2HB      GLU  17 -21.261   2.947   1.697
  136    HB3  GLU  17           3HB      GLU  17 -21.325   3.676   3.296
  137    HG2  GLU  17           2HG      GLU  17 -19.069   4.558   2.985
  138    HG3  GLU  17           3HG      GLU  17 -19.008   3.832   1.380
  Start of MODEL   15
    1    H1   ARG   1           H        ARG   1   3.283   2.213   0.538
    2    HA   ARG   1           HA       ARG   1   3.091  -0.001  -1.398
    3    HB2  ARG   1           2HB      ARG   1   1.453   0.659   1.014
    4    HB3  ARG   1           3HB      ARG   1   0.675  -0.129  -0.352
    5    HG2  ARG   1           2HG      ARG   1   3.206  -1.285   0.690
    6    HG3  ARG   1           3HG      ARG   1   1.724  -1.511   1.621
    7    HD2  ARG   1           2HD      ARG   1   0.636  -2.497  -0.318
    8    HD3  ARG   1           3HD      ARG   1   2.082  -2.221  -1.288
    9    HE   ARG   1           HE       ARG   1   2.958  -3.731   0.802
   10   HH11  ARG   1          1HH1      ARG   1   0.451  -4.081  -1.588
   11   HH12  ARG   1          2HH1      ARG   1   0.534  -5.811  -1.611
   12   HH21  ARG   1          1HH2      ARG   1   3.077  -6.009   0.781
   13   HH22  ARG   1          2HH2      ARG   1   2.027  -6.907  -0.263
   14    H    SER   2           H        SER   2   3.309   1.681  -3.039
   15    HA   SER   2           HA       SER   2   1.191   3.627  -3.293
   16    HB2  SER   2           2HB      SER   2   3.160   4.491  -4.153
   17    HB3  SER   2           3HB      SER   2   3.660   2.946  -4.841
   18    HG   SER   2           HG       SER   2   2.439   3.297  -6.573
   19    H    LYS   3           H        LYS   3   2.001   0.492  -4.606
   20    HA   LYS   3           HA       LYS   3   0.126   0.536  -6.749
   21    HB2  LYS   3           2HB      LYS   3   0.563  -1.849  -6.932
   22    HB3  LYS   3           3HB      LYS   3   2.073  -0.975  -6.709
   23    HG2  LYS   3           2HG      LYS   3   1.813  -1.538  -4.225
   24    HG3  LYS   3           3HG      LYS   3   0.605  -2.711  -4.758
   25    HD2  LYS   3           2HD      LYS   3   2.160  -4.114  -5.570
   26    HD3  LYS   3           3HD      LYS   3   3.109  -2.802  -6.275
   27    HE2  LYS   3           2HE      LYS   3   4.170  -2.349  -4.193
   28    HE3  LYS   3           3HE      LYS   3   3.063  -3.412  -3.326
   29    HZ1  LYS   3           3HZ      LYS   3   5.239  -4.164  -5.184
   30    HZ2  LYS   3           1HZ      LYS   3   4.009  -5.247  -4.764
   31    HZ3  LYS   3           2HZ      LYS   3   5.032  -4.624  -3.569
   32    H    ASP   4           H        ASP   4  -0.040  -0.296  -3.367
   33    HA   ASP   4           HA       ASP   4  -2.568  -1.646  -3.553
   34    HB2  ASP   4           2HB      ASP   4  -0.574  -1.186  -1.534
   35    HB3  ASP   4           3HB      ASP   4  -2.161  -0.756  -0.903
   36    H    LEU   5           H        LEU   5  -1.531   1.615  -3.338
   37    HA   LEU   5           HA       LEU   5  -3.683   2.814  -2.020
   38    HB2  LEU   5           2HB      LEU   5  -1.384   3.696  -3.161
   39    HB3  LEU   5           3HB      LEU   5  -2.581   4.296  -4.308
   40    HG   LEU   5           HG       LEU   5  -3.715   5.475  -2.454
   41   HD11  LEU   5          1HD1      LEU   5  -2.000   5.724  -0.424
   42   HD12  LEU   5          2HD1      LEU   5  -1.640   4.063  -0.892
   43   HD13  LEU   5          3HD1      LEU   5  -3.285   4.517  -0.450
   44   HD21  LEU   5          3HD2      LEU   5  -0.787   6.155  -2.700
   45   HD22  LEU   5          1HD2      LEU   5  -2.092   7.249  -2.239
   46   HD23  LEU   5          2HD2      LEU   5  -2.031   6.590  -3.874
   47    H    ARG   6           H        ARG   6  -3.495   1.360  -5.125
   48    HA   ARG   6           HA       ARG   6  -5.681   2.758  -6.324
   49    HB2  ARG   6           2HB      ARG   6  -3.715   1.088  -7.256
   50    HB3  ARG   6           3HB      ARG   6  -5.133   0.050  -7.314
   51    HG2  ARG   6           2HG      ARG   6  -6.083   1.211  -8.996
   52    HG3  ARG   6           3HG      ARG   6  -5.478   2.762  -8.411
   53    HD2  ARG   6           2HD      ARG   6  -3.314   1.058  -9.271
   54    HD3  ARG   6           3HD      ARG   6  -4.504   1.263 -10.555
   55    HE   ARG   6           HE       ARG   6  -2.665   3.213  -9.617
   56   HH11  ARG   6          1HH1      ARG   6  -5.897   2.822 -10.852
   57   HH12  ARG   6          2HH1      ARG   6  -5.979   4.422 -11.510
   58   HH21  ARG   6          1HH2      ARG   6  -2.762   5.323 -10.478
   59   HH22  ARG   6          2HH2      ARG   6  -4.195   5.844 -11.297
   60    H    HIS   7           H        HIS   7  -5.394   0.140  -4.115
   61    HA   HIS   7           HA       HIS   7  -7.928  -1.071  -4.665
   62    HB2  HIS   7           2HB      HIS   7  -5.998  -2.247  -3.577
   63    HB3  HIS   7           3HB      HIS   7  -6.284  -1.275  -2.137
   64    HD1  HIS   7           HD1      HIS   7  -7.665  -2.413  -0.444
   65    HD2  HIS   7           HD2      HIS   7  -8.535  -3.745  -4.282
   66    HE1  HIS   7           HE1      HIS   7  -9.398  -4.211  -0.154
   67    H    ALA   8           H        ALA   8  -6.887   1.675  -2.902
   68    HA   ALA   8           HA       ALA   8  -8.955   1.810  -0.972
   69    HB1  ALA   8           1HB      ALA   8  -6.729   3.112  -1.092
   70    HB2  ALA   8           2HB      ALA   8  -7.627   4.242  -2.106
   71    HB3  ALA   8           3HB      ALA   8  -8.157   3.927  -0.453
   72    H    PHE   9           H        PHE   9  -8.810   2.572  -4.346
   73    HA   PHE   9           HA       PHE   9 -10.837   4.452  -4.601
   74    HB2  PHE   9           2HB      PHE   9  -9.505   2.517  -6.353
   75    HB3  PHE   9           3HB      PHE   9 -11.158   2.878  -6.838
   76    HD1  PHE   9           HD1      PHE   9 -11.808   5.253  -7.277
   77    HD2  PHE   9           HD2      PHE   9  -7.764   4.053  -6.711
   78    HE1  PHE   9           HE1      PHE   9 -11.045   7.342  -8.329
   79    HE2  PHE   9           HE2      PHE   9  -6.994   6.141  -7.761
   80    HZ   PHE   9           HZ       PHE   9  -8.635   7.789  -8.571
   81    H    ARG  10           H        ARG  10 -11.017   1.016  -4.025
   82    HA   ARG  10           HA       ARG  10 -13.794   0.748  -4.642
   83    HB2  ARG  10           2HB      ARG  10 -12.354  -1.192  -4.749
   84    HB3  ARG  10           3HB      ARG  10 -11.913  -1.006  -3.057
   85    HG2  ARG  10           2HG      ARG  10 -13.971  -1.759  -2.303
   86    HG3  ARG  10           3HG      ARG  10 -14.766  -1.426  -3.843
   87    HD2  ARG  10           2HD      ARG  10 -13.747  -3.289  -4.880
   88    HD3  ARG  10           3HD      ARG  10 -12.604  -3.495  -3.554
   89    HE   ARG  10           HE       ARG  10 -15.168  -3.786  -2.508
   90   HH11  ARG  10          1HH1      ARG  10 -13.066  -5.395  -4.770
   91   HH12  ARG  10          2HH1      ARG  10 -13.741  -6.964  -4.481
   92   HH21  ARG  10          1HH2      ARG  10 -16.065  -5.847  -2.119
   93   HH22  ARG  10          2HH2      ARG  10 -15.447  -7.220  -2.974
   94    H    SER  11           H        SER  11 -11.972   1.713  -1.856
   95    HA   SER  11           HA       SER  11 -13.984   1.244   0.097
   96    HB2  SER  11           2HB      SER  11 -11.452   1.657   0.442
   97    HB3  SER  11           3HB      SER  11 -11.865   3.369   0.347
   98    HG   SER  11           HG       SER  11 -12.023   1.824   2.450
   99    H    MET  12           H        MET  12 -13.387   3.776  -2.191
  100    HA   MET  12           HA       MET  12 -14.907   5.814  -0.928
  101    HB2  MET  12           2HB      MET  12 -14.013   5.377  -3.772
  102    HB3  MET  12           3HB      MET  12 -14.978   6.769  -3.300
  103    HG2  MET  12           2HG      MET  12 -12.908   6.728  -1.463
  104    HG3  MET  12           3HG      MET  12 -12.147   6.282  -2.988
  105    HE1  MET  12           3HE      MET  12 -10.852   8.200  -2.065
  106    HE2  MET  12           1HE      MET  12 -10.756   9.078  -3.592
  107    HE3  MET  12           2HE      MET  12 -11.305   9.904  -2.133
  108    H    PHE  13           H        PHE  13 -15.725   3.053  -2.845
  109    HA   PHE  13           HA       PHE  13 -18.284   3.930  -3.718
  110    HB2  PHE  13           2HB      PHE  13 -16.691   1.506  -3.866
  111    HB3  PHE  13           3HB      PHE  13 -18.389   1.147  -3.567
  112    HD1  PHE  13           HD2      PHE  13 -16.768   3.823  -5.588
  113    HD2  PHE  13           HD1      PHE  13 -19.293   0.396  -5.547
  114    HE1  PHE  13           HE2      PHE  13 -17.256   4.157  -7.976
  115    HE2  PHE  13           HE1      PHE  13 -19.784   0.725  -7.935
  116    HZ   PHE  13           HZ       PHE  13 -18.766   2.608  -9.153
  117    HA   PRO  14           HA       PRO  14 -20.802   3.208  -0.190
  118    HB2  PRO  14           2HB      PRO  14 -23.102   2.301  -1.309
  119    HB3  PRO  14           3HB      PRO  14 -22.562   3.978  -1.451
  120    HG2  PRO  14           2HG      PRO  14 -22.425   1.769  -3.437
  121    HG3  PRO  14           3HG      PRO  14 -22.666   3.507  -3.698
  122    HD2  PRO  14           2HD      PRO  14 -20.306   2.199  -4.117
  123    HD3  PRO  14           3HD      PRO  14 -20.503   3.941  -3.839
  124    H    SEP  15           H        SEP  15 -20.001   0.555  -2.280
  125    HA   SEP  15           HA       SEP  15 -21.393  -1.483  -0.746
  126    HB2  SEP  15           2HB      SEP  15 -20.861  -1.969  -3.119
  127    HB3  SEP  15           3HB      SEP  15 -19.158  -1.665  -2.888
  128    H    SER  16           H        SER  16 -18.232  -0.019  -0.668
  129    HA   SER  16           HA       SER  16 -17.311  -1.775   1.452
  130    HB2  SER  16           2HB      SER  16 -16.015  -0.342  -0.528
  131    HB3  SER  16           3HB      SER  16 -15.685   0.599   0.927
  132    HG   SER  16           HG       SER  16 -14.168  -1.141   0.462
  133    H    GLU  17           H        GLU  17 -18.639   1.423   1.062
  134    HA   GLU  17           HA       GLU  17 -17.927   2.385   3.652
  135    HB2  GLU  17           2HB      GLU  17 -18.481   3.846   1.701
  136    HB3  GLU  17           3HB      GLU  17 -20.158   3.342   1.853
  137    HG2  GLU  17           2HG      GLU  17 -20.531   4.876   3.397
  138    HG3  GLU  17           3HG      GLU  17 -19.205   4.265   4.386
  Start of MODEL   16
    1    H1   ARG   1           H        ARG   1   4.401   1.996  -0.466
    2    HA   ARG   1           HA       ARG   1   3.896   0.272  -1.977
    3    HB2  ARG   1           2HB      ARG   1   1.501  -0.225  -0.199
    4    HB3  ARG   1           3HB      ARG   1   1.916  -1.156  -1.632
    5    HG2  ARG   1           2HG      ARG   1   3.859  -2.037  -0.610
    6    HG3  ARG   1           3HG      ARG   1   3.748  -0.899   0.735
    7    HD2  ARG   1           2HD      ARG   1   1.580  -2.894   0.155
    8    HD3  ARG   1           3HD      ARG   1   2.979  -3.303   1.146
    9    HE   ARG   1           HE       ARG   1   2.074  -1.054   2.314
   10   HH11  ARG   1          1HH1      ARG   1   0.500  -4.005   1.349
   11   HH12  ARG   1          2HH1      ARG   1  -0.696  -3.930   2.600
   12   HH21  ARG   1          1HH2      ARG   1   0.505  -0.944   3.966
   13   HH22  ARG   1          2HH2      ARG   1  -0.693  -2.188   4.087
   14    H    SER   2           H        SER   2   3.546   1.581  -3.673
   15    HA   SER   2           HA       SER   2   1.292   3.366  -3.791
   16    HB2  SER   2           2HB      SER   2   2.184   4.058  -5.934
   17    HB3  SER   2           3HB      SER   2   3.516   3.915  -4.788
   18    HG   SER   2           HG       SER   2   3.470   2.836  -7.092
   19    H    LYS   3           H        LYS   3   2.050   0.172  -4.901
   20    HA   LYS   3           HA       LYS   3   0.067  -0.004  -6.933
   21    HB2  LYS   3           2HB      LYS   3   0.481  -2.409  -6.856
   22    HB3  LYS   3           3HB      LYS   3   1.998  -1.519  -6.847
   23    HG2  LYS   3           2HG      LYS   3   2.131  -1.830  -4.405
   24    HG3  LYS   3           3HG      LYS   3   0.654  -2.795  -4.472
   25    HD2  LYS   3           2HD      LYS   3   3.108  -3.464  -6.081
   26    HD3  LYS   3           3HD      LYS   3   2.843  -4.078  -4.447
   27    HE2  LYS   3           2HE      LYS   3   1.637  -5.729  -5.314
   28    HE3  LYS   3           3HE      LYS   3   0.456  -4.536  -5.855
   29    HZ1  LYS   3           3HZ      LYS   3   2.218  -4.303  -7.793
   30    HZ2  LYS   3           1HZ      LYS   3   0.979  -5.454  -7.840
   31    HZ3  LYS   3           2HZ      LYS   3   2.538  -5.909  -7.369
   32    H    ASP   4           H        ASP   4   0.088  -0.556  -3.477
   33    HA   ASP   4           HA       ASP   4  -2.509  -1.805  -3.446
   34    HB2  ASP   4           2HB      ASP   4  -0.355  -1.390  -1.579
   35    HB3  ASP   4           3HB      ASP   4  -1.879  -0.882  -0.857
   36    H    LEU   5           H        LEU   5  -1.280   1.395  -3.404
   37    HA   LEU   5           HA       LEU   5  -3.261   2.751  -1.976
   38    HB2  LEU   5           2HB      LEU   5  -1.006   3.472  -3.292
   39    HB3  LEU   5           3HB      LEU   5  -2.239   4.097  -4.384
   40    HG   LEU   5           HG       LEU   5  -3.198   5.372  -2.473
   41   HD11  LEU   5          1HD1      LEU   5  -0.952   4.024  -1.069
   42   HD12  LEU   5          2HD1      LEU   5  -2.579   4.402  -0.503
   43   HD13  LEU   5          3HD1      LEU   5  -1.364   5.676  -0.605
   44   HD21  LEU   5          3HD2      LEU   5  -1.182   6.040  -4.127
   45   HD22  LEU   5          1HD2      LEU   5  -0.388   6.259  -2.567
   46   HD23  LEU   5          2HD2      LEU   5  -1.872   7.139  -2.932
   47    H    ARG   6           H        ARG   6  -3.379   1.206  -5.040
   48    HA   ARG   6           HA       ARG   6  -5.564   2.694  -6.126
   49    HB2  ARG   6           2HB      ARG   6  -3.787   1.081  -7.263
   50    HB3  ARG   6           3HB      ARG   6  -5.039  -0.118  -6.966
   51    HG2  ARG   6           2HG      ARG   6  -6.580   1.676  -8.104
   52    HG3  ARG   6           3HG      ARG   6  -5.051   2.228  -8.792
   53    HD2  ARG   6           2HD      ARG   6  -4.970   0.511 -10.213
   54    HD3  ARG   6           3HD      ARG   6  -5.327  -0.652  -8.937
   55    HE   ARG   6           HE       ARG   6  -7.488  -0.697  -9.661
   56   HH11  ARG   6          1HH1      ARG   6  -5.986   2.221 -10.822
   57   HH12  ARG   6          2HH1      ARG   6  -7.349   2.697 -11.780
   58   HH21  ARG   6          1HH2      ARG   6  -9.289  -0.082 -10.918
   59   HH22  ARG   6          2HH2      ARG   6  -9.228   1.387 -11.833
   60    H    HIS   7           H        HIS   7  -5.266   0.125  -3.861
   61    HA   HIS   7           HA       HIS   7  -7.893  -0.957  -4.192
   62    HB2  HIS   7           2HB      HIS   7  -5.848  -1.196  -1.984
   63    HB3  HIS   7           3HB      HIS   7  -7.405  -2.019  -1.944
   64    HD1  HIS   7           HD1      HIS   7  -4.472  -3.338  -2.130
   65    HD2  HIS   7           HD2      HIS   7  -7.249  -2.942  -5.194
   66    HE1  HIS   7           HE1      HIS   7  -3.885  -5.121  -3.804
   67    H    ALA   8           H        ALA   8  -6.591   1.785  -2.603
   68    HA   ALA   8           HA       ALA   8  -8.545   2.090  -0.566
   69    HB1  ALA   8           1HB      ALA   8  -6.309   3.205  -0.605
   70    HB2  ALA   8           2HB      ALA   8  -6.929   4.278  -1.861
   71    HB3  ALA   8           3HB      ALA   8  -7.659   4.285  -0.256
   72    H    PHE   9           H        PHE   9  -8.491   2.787  -3.956
   73    HA   PHE   9           HA       PHE   9 -10.441   4.792  -4.097
   74    HB2  PHE   9           2HB      PHE   9  -8.890   3.745  -5.939
   75    HB3  PHE   9           3HB      PHE   9 -10.261   2.674  -6.208
   76    HD1  PHE   9           HD2      PHE   9  -9.889   6.328  -5.533
   77    HD2  PHE   9           HD1      PHE   9 -11.468   3.282  -8.053
   78    HE1  PHE   9           HE2      PHE   9 -10.949   8.046  -6.940
   79    HE2  PHE   9           HE1      PHE   9 -12.529   4.995  -9.464
   80    HZ   PHE   9           HZ       PHE   9 -12.272   7.381  -8.908
   81    H    ARG  10           H        ARG  10 -10.699   1.359  -3.608
   82    HA   ARG  10           HA       ARG  10 -13.455   1.110  -4.268
   83    HB2  ARG  10           2HB      ARG  10 -11.342  -0.591  -3.215
   84    HB3  ARG  10           3HB      ARG  10 -12.888  -0.904  -2.438
   85    HG2  ARG  10           2HG      ARG  10 -13.924  -1.355  -4.557
   86    HG3  ARG  10           3HG      ARG  10 -12.458  -0.879  -5.416
   87    HD2  ARG  10           2HD      ARG  10 -12.230  -3.161  -5.416
   88    HD3  ARG  10           3HD      ARG  10 -11.359  -2.745  -3.941
   89    HE   ARG  10           HE       ARG  10 -13.931  -3.181  -3.128
   90   HH11  ARG  10          1HH1      ARG  10 -11.537  -5.024  -4.857
   91   HH12  ARG  10          2HH1      ARG  10 -12.112  -6.554  -4.285
   92   HH21  ARG  10          1HH2      ARG  10 -14.698  -5.190  -2.367
   93   HH22  ARG  10          2HH2      ARG  10 -13.911  -6.648  -2.869
   94    H    SER  11           H        SER  11 -11.695   1.966  -1.371
   95    HA   SER  11           HA       SER  11 -13.763   1.617   0.503
   96    HB2  SER  11           2HB      SER  11 -11.474   1.912   1.239
   97    HB3  SER  11           3HB      SER  11 -11.408   3.518   0.514
   98    HG   SER  11           HG       SER  11 -12.605   2.673   2.874
   99    H    MET  12           H        MET  12 -13.145   4.090  -1.843
  100    HA   MET  12           HA       MET  12 -14.809   6.090  -0.652
  101    HB2  MET  12           2HB      MET  12 -13.157   5.820  -3.032
  102    HB3  MET  12           3HB      MET  12 -14.664   6.660  -3.370
  103    HG2  MET  12           2HG      MET  12 -13.470   7.635  -0.939
  104    HG3  MET  12           3HG      MET  12 -12.337   7.729  -2.285
  105    HE1  MET  12           3HE      MET  12 -14.984  10.883  -1.175
  106    HE2  MET  12           1HE      MET  12 -14.224   9.572  -0.272
  107    HE3  MET  12           2HE      MET  12 -13.226  10.736  -1.145
  108    H    PHE  13           H        PHE  13 -15.324   3.358  -2.711
  109    HA   PHE  13           HA       PHE  13 -17.807   4.174  -3.826
  110    HB2  PHE  13           2HB      PHE  13 -16.194   1.708  -3.740
  111    HB3  PHE  13           3HB      PHE  13 -17.930   1.451  -3.883
  112    HD1  PHE  13           HD2      PHE  13 -15.374   3.751  -5.344
  113    HD2  PHE  13           HD1      PHE  13 -18.701   1.182  -6.016
  114    HE1  PHE  13           HE2      PHE  13 -15.238   4.211  -7.757
  115    HE2  PHE  13           HE1      PHE  13 -18.569   1.637  -8.431
  116    HZ   PHE  13           HZ       PHE  13 -16.837   3.155  -9.304
  117    HA   PRO  14           HA       PRO  14 -20.652   3.270  -0.601
  118    HB2  PRO  14           2HB      PRO  14 -22.791   2.324  -1.971
  119    HB3  PRO  14           3HB      PRO  14 -22.292   4.019  -2.029
  120    HG2  PRO  14           2HG      PRO  14 -21.855   1.845  -4.018
  121    HG3  PRO  14           3HG      PRO  14 -22.174   3.568  -4.286
  122    HD2  PRO  14           2HD      PRO  14 -19.709   2.392  -4.479
  123    HD3  PRO  14           3HD      PRO  14 -20.006   4.116  -4.178
  124    H    SEP  15           H        SEP  15 -19.536   0.706  -2.655
  125    HA   SEP  15           HA       SEP  15 -21.008  -1.421  -1.330
  126    HB2  SEP  15           2HB      SEP  15 -19.693  -1.343  -3.745
  127    HB3  SEP  15           3HB      SEP  15 -18.388  -2.025  -2.809
  128    H    SER  16           H        SER  16 -17.930   0.147  -0.875
  129    HA   SER  16           HA       SER  16 -16.943  -1.641   1.106
  130    HB2  SER  16           2HB      SER  16 -15.108  -0.257   1.221
  131    HB3  SER  16           3HB      SER  16 -15.739   0.230  -0.352
  132    HG   SER  16           HG       SER  16 -16.011   1.549   2.135
  133    H    GLU  17           H        GLU  17 -19.004   1.173   1.162
  134    HA   GLU  17           HA       GLU  17 -18.885   1.407   4.051
  135    HB2  GLU  17           2HB      GLU  17 -19.557   3.137   1.929
  136    HB3  GLU  17           3HB      GLU  17 -21.031   2.912   2.861
  137    HG2  GLU  17           2HG      GLU  17 -19.979   4.791   3.781
  138    HG3  GLU  17           3HG      GLU  17 -19.669   3.474   4.911
  Start of MODEL   17
    1    H1   ARG   1           H        ARG   1   5.306   0.999  -0.702
    2    HA   ARG   1           HA       ARG   1   3.555  -0.199  -1.521
    3    HB2  ARG   1           2HB      ARG   1   2.505   0.799   1.091
    4    HB3  ARG   1           3HB      ARG   1   1.390   0.016  -0.021
    5    HG2  ARG   1           2HG      ARG   1   3.060  -1.903  -0.090
    6    HG3  ARG   1           3HG      ARG   1   3.814  -1.139   1.311
    7    HD2  ARG   1           2HD      ARG   1   1.980  -1.520   2.669
    8    HD3  ARG   1           3HD      ARG   1   0.873  -1.666   1.304
    9    HE   ARG   1           HE       ARG   1   2.788  -3.755   1.275
   10   HH11  ARG   1          1HH1      ARG   1  -0.097  -2.684   2.903
   11   HH12  ARG   1          2HH1      ARG   1  -0.600  -4.283   3.341
   12   HH21  ARG   1          1HH2      ARG   1   2.136  -5.865   1.847
   13   HH22  ARG   1          2HH2      ARG   1   0.672  -6.092   2.741
   14    H    SER   2           H        SER   2   3.611   1.360  -3.310
   15    HA   SER   2           HA       SER   2   1.547   3.404  -3.323
   16    HB2  SER   2           2HB      SER   2   2.436   3.962  -5.561
   17    HB3  SER   2           3HB      SER   2   3.712   3.922  -4.344
   18    HG   SER   2           HG       SER   2   4.520   2.754  -5.989
   19    H    LYS   3           H        LYS   3   2.064   0.181  -4.483
   20    HA   LYS   3           HA       LYS   3   0.023   0.185  -6.475
   21    HB2  LYS   3           2HB      LYS   3   1.932  -1.431  -6.391
   22    HB3  LYS   3           3HB      LYS   3   1.177  -2.183  -4.992
   23    HG2  LYS   3           2HG      LYS   3  -0.396  -3.226  -6.228
   24    HG3  LYS   3           3HG      LYS   3  -0.518  -1.902  -7.390
   25    HD2  LYS   3           2HD      LYS   3   2.072  -2.988  -7.658
   26    HD3  LYS   3           3HD      LYS   3   0.952  -4.351  -7.589
   27    HE2  LYS   3           2HE      LYS   3  -0.204  -3.657  -9.481
   28    HE3  LYS   3           3HE      LYS   3   0.371  -1.996  -9.343
   29    HZ1  LYS   3           3HZ      LYS   3   1.879  -4.369 -10.269
   30    HZ2  LYS   3           1HZ      LYS   3   2.641  -2.920  -9.843
   31    HZ3  LYS   3           2HZ      LYS   3   1.539  -2.951 -11.126
   32    H    ASP   4           H        ASP   4   0.100  -0.356  -3.037
   33    HA   ASP   4           HA       ASP   4  -2.444  -1.637  -2.853
   34    HB2  ASP   4           2HB      ASP   4  -0.325  -0.898  -1.065
   35    HB3  ASP   4           3HB      ASP   4  -1.859  -0.338  -0.406
   36    H    LEU   5           H        LEU   5  -1.413   1.613  -3.211
   37    HA   LEU   5           HA       LEU   5  -3.483   3.010  -1.959
   38    HB2  LEU   5           2HB      LEU   5  -1.470   4.087  -2.798
   39    HB3  LEU   5           3HB      LEU   5  -1.943   3.713  -4.454
   40    HG   LEU   5           HG       LEU   5  -3.923   5.284  -2.971
   41   HD11  LEU   5          1HD1      LEU   5  -2.393   7.360  -3.506
   42   HD12  LEU   5          2HD1      LEU   5  -1.103   6.194  -3.213
   43   HD13  LEU   5          3HD1      LEU   5  -2.296   6.523  -1.956
   44   HD21  LEU   5          3HD2      LEU   5  -4.338   5.090  -5.238
   45   HD22  LEU   5          1HD2      LEU   5  -2.637   5.266  -5.671
   46   HD23  LEU   5          2HD2      LEU   5  -3.560   6.670  -5.134
   47    H    ARG   6           H        ARG   6  -3.486   1.093  -4.808
   48    HA   ARG   6           HA       ARG   6  -5.751   2.298  -6.066
   49    HB2  ARG   6           2HB      ARG   6  -3.874   0.251  -6.681
   50    HB3  ARG   6           3HB      ARG   6  -5.485  -0.440  -6.825
   51    HG2  ARG   6           2HG      ARG   6  -6.117   1.091  -8.482
   52    HG3  ARG   6           3HG      ARG   6  -4.758   2.160  -8.128
   53    HD2  ARG   6           2HD      ARG   6  -4.107  -0.608  -8.947
   54    HD3  ARG   6           3HD      ARG   6  -4.778   0.450 -10.187
   55    HE   ARG   6           HE       ARG   6  -2.170   0.622  -8.982
   56   HH11  ARG   6          1HH1      ARG   6  -4.674   2.351 -10.673
   57   HH12  ARG   6          2HH1      ARG   6  -3.599   3.556 -11.300
   58   HH21  ARG   6          1HH2      ARG   6  -0.744   2.202  -9.801
   59   HH22  ARG   6          2HH2      ARG   6  -1.364   3.470 -10.804
   60    H    HIS   7           H        HIS   7  -5.310   0.052  -3.502
   61    HA   HIS   7           HA       HIS   7  -7.863  -1.225  -3.694
   62    HB2  HIS   7           2HB      HIS   7  -5.851  -2.204  -2.547
   63    HB3  HIS   7           3HB      HIS   7  -6.079  -1.021  -1.262
   64    HD1  HIS   7           HD1      HIS   7  -6.437  -3.050   0.375
   65    HD2  HIS   7           HD2      HIS   7  -9.318  -2.648  -2.592
   66    HE1  HIS   7           HE1      HIS   7  -8.359  -4.500   1.102
   67    H    ALA   8           H        ALA   8  -6.744   1.768  -2.458
   68    HA   ALA   8           HA       ALA   8  -8.732   2.197  -0.475
   69    HB1  ALA   8           1HB      ALA   8  -6.682   3.467  -0.439
   70    HB2  ALA   8           2HB      ALA   8  -7.047   4.164  -2.018
   71    HB3  ALA   8           3HB      ALA   8  -8.049   4.567  -0.624
   72    H    PHE   9           H        PHE   9  -8.685   2.478  -3.923
   73    HA   PHE   9           HA       PHE   9 -10.697   4.347  -4.366
   74    HB2  PHE   9           2HB      PHE   9  -9.222   2.511  -5.919
   75    HB3  PHE   9           3HB      PHE   9 -10.919   2.187  -6.256
   76    HD1  PHE   9           HD2      PHE   9  -8.641   5.119  -5.871
   77    HD2  PHE   9           HD1      PHE   9 -11.881   3.342  -7.983
   78    HE1  PHE   9           HE2      PHE   9  -8.700   7.048  -7.396
   79    HE2  PHE   9           HE1      PHE   9 -11.945   5.268  -9.512
   80    HZ   PHE   9           HZ       PHE   9 -10.354   7.125  -9.219
   81    H    ARG  10           H        ARG  10 -10.888   1.008  -3.368
   82    HA   ARG  10           HA       ARG  10 -13.658   0.646  -3.894
   83    HB2  ARG  10           2HB      ARG  10 -11.903  -0.803  -1.903
   84    HB3  ARG  10           3HB      ARG  10 -13.464  -1.350  -2.501
   85    HG2  ARG  10           2HG      ARG  10 -11.311  -0.799  -4.474
   86    HG3  ARG  10           3HG      ARG  10 -11.211  -2.265  -3.496
   87    HD2  ARG  10           2HD      ARG  10 -13.878  -1.917  -4.511
   88    HD3  ARG  10           3HD      ARG  10 -12.710  -1.858  -5.831
   89    HE   ARG  10           HE       ARG  10 -12.062  -4.035  -4.215
   90   HH11  ARG  10          1HH1      ARG  10 -14.642  -2.993  -6.308
   91   HH12  ARG  10          2HH1      ARG  10 -15.105  -4.601  -6.755
   92   HH21  ARG  10          1HH2      ARG  10 -12.662  -6.158  -4.796
   93   HH22  ARG  10          2HH2      ARG  10 -13.978  -6.401  -5.894
   94    H    SER  11           H        SER  11 -11.828   1.913  -1.195
   95    HA   SER  11           HA       SER  11 -13.836   1.825   0.768
   96    HB2  SER  11           2HB      SER  11 -11.311   2.374   1.000
   97    HB3  SER  11           3HB      SER  11 -11.794   4.031   0.638
   98    HG   SER  11           HG       SER  11 -12.650   2.406   2.798
   99    H    MET  12           H        MET  12 -13.323   3.941  -1.928
  100    HA   MET  12           HA       MET  12 -14.989   6.069  -0.987
  101    HB2  MET  12           2HB      MET  12 -13.683   5.376  -3.586
  102    HB3  MET  12           3HB      MET  12 -14.952   6.594  -3.567
  103    HG2  MET  12           2HG      MET  12 -13.519   7.587  -1.604
  104    HG3  MET  12           3HG      MET  12 -12.230   6.666  -2.378
  105    HE1  MET  12           3HE      MET  12 -11.548   9.100  -1.949
  106    HE2  MET  12           1HE      MET  12 -10.784   9.372  -3.516
  107    HE3  MET  12           2HE      MET  12 -12.019  10.488  -2.931
  108    H    PHE  13           H        PHE  13 -15.508   3.064  -2.618
  109    HA   PHE  13           HA       PHE  13 -18.029   3.679  -3.778
  110    HB2  PHE  13           2HB      PHE  13 -16.309   1.351  -3.511
  111    HB3  PHE  13           3HB      PHE  13 -18.008   0.932  -3.309
  112    HD1  PHE  13           HD2      PHE  13 -16.356   3.455  -5.494
  113    HD2  PHE  13           HD1      PHE  13 -18.689  -0.097  -5.254
  114    HE1  PHE  13           HE2      PHE  13 -16.650   3.487  -7.937
  115    HE2  PHE  13           HE1      PHE  13 -18.986  -0.071  -7.697
  116    HZ   PHE  13           HZ       PHE  13 -17.967   1.723  -9.041
  117    HA   PRO  14           HA       PRO  14 -20.787   3.220  -0.389
  118    HB2  PRO  14           2HB      PRO  14 -22.937   2.049  -1.553
  119    HB3  PRO  14           3HB      PRO  14 -22.472   3.724  -1.869
  120    HG2  PRO  14           2HG      PRO  14 -22.047   1.293  -3.533
  121    HG3  PRO  14           3HG      PRO  14 -22.386   2.958  -4.039
  122    HD2  PRO  14           2HD      PRO  14 -19.918   1.797  -4.118
  123    HD3  PRO  14           3HD      PRO  14 -20.231   3.544  -4.064
  124    H    SEP  15           H        SEP  15 -19.663   0.399  -2.065
  125    HA   SEP  15           HA       SEP  15 -21.069  -1.533  -0.410
  126    HB2  SEP  15           2HB      SEP  15 -19.062  -1.643  -2.652
  127    HB3  SEP  15           3HB      SEP  15 -18.805  -2.907  -1.476
  128    H    SER  16           H        SER  16 -18.015   0.137  -0.256
  129    HA   SER  16           HA       SER  16 -16.951  -1.323   1.940
  130    HB2  SER  16           2HB      SER  16 -15.122  -0.020   1.655
  131    HB3  SER  16           3HB      SER  16 -15.935   0.516   0.185
  132    HG   SER  16           HG       SER  16 -16.524   2.356   1.156
  133    H    GLU  17           H        GLU  17 -19.095   1.408   1.639
  134    HA   GLU  17           HA       GLU  17 -18.888   2.197   4.396
  135    HB2  GLU  17           2HB      GLU  17 -19.751   3.459   2.141
  136    HB3  GLU  17           3HB      GLU  17 -21.281   3.019   2.887
  137    HG2  GLU  17           2HG      GLU  17 -19.105   4.761   3.989
  138    HG3  GLU  17           3HG      GLU  17 -20.786   5.176   3.662
  Start of MODEL   18
    1    H1   ARG   1           H        ARG   1   4.559   0.584  -2.436
    2    HA   ARG   1           HA       ARG   1   2.793  -0.950  -2.754
    3    HB2  ARG   1           2HB      ARG   1   1.692   0.287  -0.225
    4    HB3  ARG   1           3HB      ARG   1   0.864  -0.940  -1.175
    5    HG2  ARG   1           2HG      ARG   1   1.835  -2.234   0.435
    6    HG3  ARG   1           3HG      ARG   1   3.085  -2.280  -0.810
    7    HD2  ARG   1           2HD      ARG   1   4.552  -1.363   0.581
    8    HD3  ARG   1           3HD      ARG   1   3.487   0.018   0.837
    9    HE   ARG   1           HE       ARG   1   2.893  -0.870   2.858
   10   HH11  ARG   1          1HH1      ARG   1   4.371  -3.357   0.922
   11   HH12  ARG   1          2HH1      ARG   1   4.403  -4.520   2.206
   12   HH21  ARG   1          1HH2      ARG   1   2.930  -2.391   4.557
   13   HH22  ARG   1          2HH2      ARG   1   3.582  -3.969   4.273
   14    H    SER   2           H        SER   2   3.005   0.855  -4.445
   15    HA   SER   2           HA       SER   2   0.953   2.889  -4.348
   16    HB2  SER   2           2HB      SER   2   2.821   3.702  -5.457
   17    HB3  SER   2           3HB      SER   2   3.147   2.163  -6.254
   18    HG   SER   2           HG       SER   2   1.943   2.772  -7.860
   19    H    LYS   3           H        LYS   3   1.379  -0.283  -5.679
   20    HA   LYS   3           HA       LYS   3  -0.718  -0.129  -7.611
   21    HB2  LYS   3           2HB      LYS   3  -0.487  -2.583  -7.726
   22    HB3  LYS   3           3HB      LYS   3   1.064  -1.764  -7.858
   23    HG2  LYS   3           2HG      LYS   3   1.113  -2.175  -5.255
   24    HG3  LYS   3           3HG      LYS   3  -0.003  -3.475  -5.679
   25    HD2  LYS   3           2HD      LYS   3   1.676  -4.733  -6.417
   26    HD3  LYS   3           3HD      LYS   3   2.202  -3.453  -7.513
   27    HE2  LYS   3           2HE      LYS   3   2.878  -3.449  -4.583
   28    HE3  LYS   3           3HE      LYS   3   3.885  -4.258  -5.782
   29    HZ1  LYS   3           3HZ      LYS   3   3.623  -1.874  -6.911
   30    HZ2  LYS   3           1HZ      LYS   3   4.876  -2.252  -5.838
   31    HZ3  LYS   3           2HZ      LYS   3   3.511  -1.419  -5.286
   32    H    ASP   4           H        ASP   4  -0.531  -0.913  -4.221
   33    HA   ASP   4           HA       ASP   4  -3.127  -2.121  -4.070
   34    HB2  ASP   4           2HB      ASP   4  -0.893  -1.732  -2.319
   35    HB3  ASP   4           3HB      ASP   4  -2.353  -1.153  -1.520
   36    H    LEU   5           H        LEU   5  -1.922   1.089  -4.088
   37    HA   LEU   5           HA       LEU   5  -3.852   2.432  -2.579
   38    HB2  LEU   5           2HB      LEU   5  -1.775   3.102  -4.439
   39    HB3  LEU   5           3HB      LEU   5  -3.209   4.069  -4.776
   40    HG   LEU   5           HG       LEU   5  -1.643   5.229  -3.295
   41   HD11  LEU   5          1HD1      LEU   5  -3.619   4.933  -1.281
   42   HD12  LEU   5          2HD1      LEU   5  -4.410   4.796  -2.851
   43   HD13  LEU   5          3HD1      LEU   5  -3.444   6.222  -2.473
   44   HD21  LEU   5          3HD2      LEU   5  -2.176   2.947  -1.395
   45   HD22  LEU   5          1HD2      LEU   5  -1.290   4.423  -1.010
   46   HD23  LEU   5          2HD2      LEU   5  -0.647   3.294  -2.204
   47    H    ARG   6           H        ARG   6  -4.088   0.879  -5.633
   48    HA   ARG   6           HA       ARG   6  -6.328   2.349  -6.626
   49    HB2  ARG   6           2HB      ARG   6  -4.769  -0.015  -7.440
   50    HB3  ARG   6           3HB      ARG   6  -6.460  -0.045  -7.923
   51    HG2  ARG   6           2HG      ARG   6  -5.324   0.924  -9.723
   52    HG3  ARG   6           3HG      ARG   6  -6.071   2.278  -8.874
   53    HD2  ARG   6           2HD      ARG   6  -3.579   1.945  -7.667
   54    HD3  ARG   6           3HD      ARG   6  -3.283   1.740  -9.393
   55    HE   ARG   6           HE       ARG   6  -4.856   3.988  -9.162
   56   HH11  ARG   6          1HH1      ARG   6  -1.740   2.949  -8.009
   57   HH12  ARG   6          2HH1      ARG   6  -1.076   4.549  -7.967
   58   HH21  ARG   6          1HH2      ARG   6  -3.994   6.100  -9.111
   59   HH22  ARG   6          2HH2      ARG   6  -2.360   6.341  -8.593
   60    H    HIS   7           H        HIS   7  -5.912  -0.214  -4.374
   61    HA   HIS   7           HA       HIS   7  -8.542  -1.319  -4.593
   62    HB2  HIS   7           2HB      HIS   7  -6.424  -1.535  -2.450
   63    HB3  HIS   7           3HB      HIS   7  -7.957  -2.401  -2.393
   64    HD1  HIS   7           HD1      HIS   7  -7.337  -4.763  -2.837
   65    HD2  HIS   7           HD2      HIS   7  -5.483  -2.142  -5.474
   66    HE1  HIS   7           HE1      HIS   7  -6.138  -6.219  -4.500
   67    H    ALA   8           H        ALA   8  -7.194   1.433  -3.060
   68    HA   ALA   8           HA       ALA   8  -9.030   1.730  -0.925
   69    HB1  ALA   8           1HB      ALA   8  -6.824   3.174  -1.997
   70    HB2  ALA   8           2HB      ALA   8  -8.176   4.287  -1.784
   71    HB3  ALA   8           3HB      ALA   8  -7.591   3.338  -0.417
   72    H    PHE   9           H        PHE   9  -9.224   2.369  -4.321
   73    HA   PHE   9           HA       PHE   9 -11.217   4.323  -4.383
   74    HB2  PHE   9           2HB      PHE   9 -10.283   2.214  -6.277
   75    HB3  PHE   9           3HB      PHE   9 -11.801   3.035  -6.627
   76    HD1  PHE   9           HD2      PHE   9  -8.437   4.078  -5.380
   77    HD2  PHE   9           HD1      PHE   9 -11.583   4.696  -8.180
   78    HE1  PHE   9           HE2      PHE   9  -7.188   5.956  -6.363
   79    HE2  PHE   9           HE1      PHE   9 -10.338   6.574  -9.169
   80    HZ   PHE   9           HZ       PHE   9  -8.139   7.207  -8.260
   81    H    ARG  10           H        ARG  10 -11.385   0.917  -3.725
   82    HA   ARG  10           HA       ARG  10 -14.159   0.562  -4.192
   83    HB2  ARG  10           2HB      ARG  10 -12.048  -1.095  -3.585
   84    HB3  ARG  10           3HB      ARG  10 -12.991  -1.127  -2.102
   85    HG2  ARG  10           2HG      ARG  10 -14.879  -1.426  -4.105
   86    HG3  ARG  10           3HG      ARG  10 -13.504  -2.389  -4.650
   87    HD2  ARG  10           2HD      ARG  10 -14.802  -2.580  -1.933
   88    HD3  ARG  10           3HD      ARG  10 -15.091  -3.684  -3.277
   89    HE   ARG  10           HE       ARG  10 -12.327  -3.541  -2.705
   90   HH11  ARG  10          1HH1      ARG  10 -15.310  -4.842  -1.470
   91   HH12  ARG  10          2HH1      ARG  10 -14.547  -6.168  -0.657
   92   HH21  ARG  10          1HH2      ARG  10 -11.310  -5.282  -1.640
   93   HH22  ARG  10          2HH2      ARG  10 -12.271  -6.417  -0.754
   94    H    SER  11           H        SER  11 -12.315   1.829  -1.534
   95    HA   SER  11           HA       SER  11 -14.367   1.586   0.437
   96    HB2  SER  11           2HB      SER  11 -12.415   1.870   1.566
   97    HB3  SER  11           3HB      SER  11 -11.681   2.804   0.262
   98    HG   SER  11           HG       SER  11 -12.019   4.148   2.024
   99    H    MET  12           H        MET  12 -13.607   3.882  -2.043
  100    HA   MET  12           HA       MET  12 -15.096   6.065  -0.962
  101    HB2  MET  12           2HB      MET  12 -13.522   5.524  -3.333
  102    HB3  MET  12           3HB      MET  12 -14.997   6.391  -3.738
  103    HG2  MET  12           2HG      MET  12 -13.714   8.182  -3.298
  104    HG3  MET  12           3HG      MET  12 -14.210   7.844  -1.642
  105    HE1  MET  12           3HE      MET  12 -11.661   9.012  -3.608
  106    HE2  MET  12           1HE      MET  12 -10.108   8.383  -3.058
  107    HE3  MET  12           2HE      MET  12 -11.066   7.470  -4.224
  108    H    PHE  13           H        PHE  13 -15.883   3.240  -2.797
  109    HA   PHE  13           HA       PHE  13 -18.337   4.161  -3.897
  110    HB2  PHE  13           2HB      PHE  13 -16.943   1.562  -3.627
  111    HB3  PHE  13           3HB      PHE  13 -18.693   1.485  -3.798
  112    HD1  PHE  13           HD2      PHE  13 -16.145   3.736  -5.323
  113    HD2  PHE  13           HD1      PHE  13 -19.179   0.815  -5.942
  114    HE1  PHE  13           HE2      PHE  13 -15.915   4.018  -7.757
  115    HE2  PHE  13           HE1      PHE  13 -18.953   1.092  -8.377
  116    HZ   PHE  13           HZ       PHE  13 -17.321   2.696  -9.287
  117    HA   PRO  14           HA       PRO  14 -21.120   3.705  -0.527
  118    HB2  PRO  14           2HB      PRO  14 -23.376   2.848  -1.768
  119    HB3  PRO  14           3HB      PRO  14 -22.750   4.492  -1.943
  120    HG2  PRO  14           2HG      PRO  14 -22.585   2.193  -3.820
  121    HG3  PRO  14           3HG      PRO  14 -22.712   3.927  -4.169
  122    HD2  PRO  14           2HD      PRO  14 -20.401   2.476  -4.353
  123    HD3  PRO  14           3HD      PRO  14 -20.528   4.239  -4.186
  124    H    SEP  15           H        SEP  15 -20.300   0.928  -2.442
  125    HA   SEP  15           HA       SEP  15 -21.886  -0.976  -0.924
  126    HB2  SEP  15           2HB      SEP  15 -21.363  -2.135  -2.873
  127    HB3  SEP  15           3HB      SEP  15 -20.024  -1.080  -3.247
  128    H    SER  16           H        SER  16 -18.675   0.355  -0.685
  129    HA   SER  16           HA       SER  16 -17.750  -1.381   1.368
  130    HB2  SER  16           2HB      SER  16 -16.733   0.869  -0.121
  131    HB3  SER  16           3HB      SER  16 -16.379   1.073   1.594
  132    HG   SER  16           HG       SER  16 -14.856  -0.330   1.309
  133    H    GLU  17           H        GLU  17 -19.546   1.619   1.327
  134    HA   GLU  17           HA       GLU  17 -19.308   1.995   4.190
  135    HB2  GLU  17           2HB      GLU  17 -20.326   3.544   1.909
  136    HB3  GLU  17           3HB      GLU  17 -21.268   3.726   3.382
  137    HG2  GLU  17           2HG      GLU  17 -19.729   5.432   3.549
  138    HG3  GLU  17           3HG      GLU  17 -18.994   4.155   4.516
  Start of MODEL   19
    1    H1   ARG   1           H        ARG   1   1.939   0.726   1.911
    2    HA   ARG   1           HA       ARG   1   3.634   0.823   0.272
    3    HB2  ARG   1           2HB      ARG   1   2.331  -1.664  -0.446
    4    HB3  ARG   1           3HB      ARG   1   2.682  -0.698  -1.873
    5    HG2  ARG   1           2HG      ARG   1   4.901  -0.998  -1.692
    6    HG3  ARG   1           3HG      ARG   1   4.876  -0.903   0.070
    7    HD2  ARG   1           2HD      ARG   1   4.321  -3.154   0.303
    8    HD3  ARG   1           3HD      ARG   1   3.743  -3.280  -1.358
    9    HE   ARG   1           HE       ARG   1   6.363  -2.735  -1.680
   10   HH11  ARG   1          1HH1      ARG   1   4.654  -5.089   0.233
   11   HH12  ARG   1          2HH1      ARG   1   5.922  -6.267   0.153
   12   HH21  ARG   1          1HH2      ARG   1   8.039  -4.278  -1.793
   13   HH22  ARG   1          2HH2      ARG   1   7.847  -5.804  -0.998
   14    H    SER   2           H        SER   2   3.412   1.316  -2.292
   15    HA   SER   2           HA       SER   2   1.492   3.475  -2.400
   16    HB2  SER   2           2HB      SER   2   3.940   2.717  -3.841
   17    HB3  SER   2           3HB      SER   2   2.703   3.453  -4.860
   18    HG   SER   2           HG       SER   2   4.070   4.531  -2.653
   19    H    LYS   3           H        LYS   3   1.849   0.277  -3.683
   20    HA   LYS   3           HA       LYS   3  -0.076   0.587  -5.791
   21    HB2  LYS   3           2HB      LYS   3   1.626  -1.562  -4.728
   22    HB3  LYS   3           3HB      LYS   3   0.075  -2.111  -5.351
   23    HG2  LYS   3           2HG      LYS   3   1.456  -0.220  -7.102
   24    HG3  LYS   3           3HG      LYS   3   2.327  -1.733  -6.835
   25    HD2  LYS   3           2HD      LYS   3  -0.583  -1.857  -7.456
   26    HD3  LYS   3           3HD      LYS   3   0.542  -1.492  -8.766
   27    HE2  LYS   3           2HE      LYS   3   1.724  -3.536  -8.415
   28    HE3  LYS   3           3HE      LYS   3   0.839  -3.858  -6.924
   29    HZ1  LYS   3           3HZ      LYS   3  -1.161  -3.656  -8.676
   30    HZ2  LYS   3           1HZ      LYS   3  -0.411  -5.119  -8.275
   31    HZ3  LYS   3           2HZ      LYS   3   0.046  -4.291  -9.678
   32    H    ASP   4           H        ASP   4  -0.148  -0.276  -2.428
   33    HA   ASP   4           HA       ASP   4  -2.694  -1.542  -2.427
   34    HB2  ASP   4           2HB      ASP   4  -0.684  -0.800  -0.480
   35    HB3  ASP   4           3HB      ASP   4  -2.301  -0.429   0.114
   36    H    LEU   5           H        LEU   5  -1.678   1.729  -2.568
   37    HA   LEU   5           HA       LEU   5  -3.815   3.046  -1.344
   38    HB2  LEU   5           2HB      LEU   5  -1.624   3.716  -3.085
   39    HB3  LEU   5           3HB      LEU   5  -3.078   4.589  -3.564
   40    HG   LEU   5           HG       LEU   5  -2.534   4.684  -0.689
   41   HD11  LEU   5          1HD1      LEU   5  -0.726   6.404  -1.016
   42   HD12  LEU   5          2HD1      LEU   5  -0.554   5.797  -2.662
   43   HD13  LEU   5          3HD1      LEU   5  -0.245   4.730  -1.292
   44   HD21  LEU   5          3HD2      LEU   5  -4.248   6.043  -1.669
   45   HD22  LEU   5          1HD2      LEU   5  -3.112   6.716  -2.839
   46   HD23  LEU   5          2HD2      LEU   5  -2.944   7.100  -1.126
   47    H    ARG   6           H        ARG   6  -3.669   1.279  -4.285
   48    HA   ARG   6           HA       ARG   6  -5.884   2.533  -5.585
   49    HB2  ARG   6           2HB      ARG   6  -4.115   1.244  -6.778
   50    HB3  ARG   6           3HB      ARG   6  -4.743  -0.227  -6.049
   51    HG2  ARG   6           2HG      ARG   6  -6.736  -0.119  -7.275
   52    HG3  ARG   6           3HG      ARG   6  -6.469   1.568  -7.718
   53    HD2  ARG   6           2HD      ARG   6  -4.553  -0.571  -8.573
   54    HD3  ARG   6           3HD      ARG   6  -6.036  -0.273  -9.478
   55    HE   ARG   6           HE       ARG   6  -4.810   2.182  -9.166
   56   HH11  ARG   6          1HH1      ARG   6  -4.062  -0.880 -10.644
   57   HH12  ARG   6          2HH1      ARG   6  -3.061  -0.189 -11.877
   58   HH21  ARG   6          1HH2      ARG   6  -3.493   3.105 -10.785
   59   HH22  ARG   6          2HH2      ARG   6  -2.737   2.078 -11.956
   60    H    HIS   7           H        HIS   7  -5.543   0.160  -3.121
   61    HA   HIS   7           HA       HIS   7  -8.076  -1.117  -3.497
   62    HB2  HIS   7           2HB      HIS   7  -6.122  -1.072  -1.197
   63    HB3  HIS   7           3HB      HIS   7  -7.633  -1.975  -1.147
   64    HD1  HIS   7           HD1      HIS   7  -4.946  -1.723  -3.838
   65    HD2  HIS   7           HD2      HIS   7  -6.984  -4.556  -1.584
   66    HE1  HIS   7           HE1      HIS   7  -4.121  -3.953  -4.656
   67    H    ALA   8           H        ALA   8  -7.031   1.808  -2.052
   68    HA   ALA   8           HA       ALA   8  -9.085   2.128  -0.125
   69    HB1  ALA   8           1HB      ALA   8  -7.614   4.343  -1.535
   70    HB2  ALA   8           2HB      ALA   8  -8.362   4.383   0.062
   71    HB3  ALA   8           3HB      ALA   8  -6.922   3.403  -0.213
   72    H    PHE   9           H        PHE   9  -8.951   2.560  -3.557
   73    HA   PHE   9           HA       PHE   9 -10.973   4.411  -3.989
   74    HB2  PHE   9           2HB      PHE   9  -9.381   2.944  -5.609
   75    HB3  PHE   9           3HB      PHE   9 -10.909   2.098  -5.835
   76    HD1  PHE   9           HD2      PHE   9  -9.218   5.360  -6.150
   77    HD2  PHE   9           HD1      PHE   9 -12.660   3.045  -7.107
   78    HE1  PHE   9           HE2      PHE   9  -9.930   7.087  -7.752
   79    HE2  PHE   9           HE1      PHE   9 -13.376   4.768  -8.711
   80    HZ   PHE   9           HZ       PHE   9 -12.012   6.793  -9.034
   81    H    ARG  10           H        ARG  10 -11.166   1.036  -3.109
   82    HA   ARG  10           HA       ARG  10 -13.857   0.559  -3.740
   83    HB2  ARG  10           2HB      ARG  10 -11.752  -0.768  -2.274
   84    HB3  ARG  10           3HB      ARG  10 -13.284  -0.923  -1.425
   85    HG2  ARG  10           2HG      ARG  10 -14.260  -2.132  -3.121
   86    HG3  ARG  10           3HG      ARG  10 -13.164  -1.494  -4.348
   87    HD2  ARG  10           2HD      ARG  10 -11.318  -2.765  -3.228
   88    HD3  ARG  10           3HD      ARG  10 -12.542  -3.519  -2.207
   89    HE   ARG  10           HE       ARG  10 -13.169  -4.835  -3.980
   90   HH11  ARG  10          1HH1      ARG  10 -11.117  -2.261  -5.112
   91   HH12  ARG  10          2HH1      ARG  10 -10.949  -2.921  -6.706
   92   HH21  ARG  10          1HH2      ARG  10 -12.955  -5.714  -6.074
   93   HH22  ARG  10          2HH2      ARG  10 -11.995  -4.884  -7.252
   94    H    SER  11           H        SER  11 -12.376   2.301  -1.139
   95    HA   SER  11           HA       SER  11 -14.550   2.227   0.682
   96    HB2  SER  11           2HB      SER  11 -12.209   2.832   1.306
   97    HB3  SER  11           3HB      SER  11 -12.409   4.352   0.435
   98    HG   SER  11           HG       SER  11 -13.374   5.110   2.126
   99    H    MET  12           H        MET  12 -13.842   4.120  -2.136
  100    HA   MET  12           HA       MET  12 -15.632   6.267  -1.580
  101    HB2  MET  12           2HB      MET  12 -14.503   5.293  -4.211
  102    HB3  MET  12           3HB      MET  12 -15.356   6.814  -3.977
  103    HG2  MET  12           2HG      MET  12 -12.894   6.159  -2.407
  104    HG3  MET  12           3HG      MET  12 -12.796   6.837  -4.030
  105    HE1  MET  12           3HE      MET  12 -11.781   9.316  -1.289
  106    HE2  MET  12           1HE      MET  12 -11.282   8.138  -2.503
  107    HE3  MET  12           2HE      MET  12 -11.757   9.763  -2.995
  108    H    PHE  13           H        PHE  13 -15.993   3.076  -2.863
  109    HA   PHE  13           HA       PHE  13 -18.448   3.483  -4.235
  110    HB2  PHE  13           2HB      PHE  13 -16.774   1.188  -3.454
  111    HB3  PHE  13           3HB      PHE  13 -18.496   0.837  -3.568
  112    HD1  PHE  13           HD2      PHE  13 -16.164   2.969  -5.555
  113    HD2  PHE  13           HD1      PHE  13 -18.980  -0.222  -5.539
  114    HE1  PHE  13           HE2      PHE  13 -15.958   2.780  -7.999
  115    HE2  PHE  13           HE1      PHE  13 -18.778  -0.417  -7.984
  116    HZ   PHE  13           HZ       PHE  13 -17.267   1.086  -9.217
  117    HA   PRO  14           HA       PRO  14 -21.394   3.355  -0.977
  118    HB2  PRO  14           2HB      PRO  14 -23.458   2.025  -2.126
  119    HB3  PRO  14           3HB      PRO  14 -22.993   3.663  -2.600
  120    HG2  PRO  14           2HG      PRO  14 -22.460   1.074  -3.961
  121    HG3  PRO  14           3HG      PRO  14 -22.754   2.676  -4.662
  122    HD2  PRO  14           2HD      PRO  14 -20.292   1.514  -4.449
  123    HD3  PRO  14           3HD      PRO  14 -20.608   3.251  -4.637
  124    H    SEP  15           H        SEP  15 -20.129   0.391  -2.249
  125    HA   SEP  15           HA       SEP  15 -21.617  -1.375  -0.484
  126    HB2  SEP  15           2HB      SEP  15 -18.911  -2.120  -1.786
  127    HB3  SEP  15           3HB      SEP  15 -20.237  -3.184  -1.390
  128    H    SER  16           H        SER  16 -18.604   0.366  -0.317
  129    HA   SER  16           HA       SER  16 -17.735  -0.815   2.139
  130    HB2  SER  16           2HB      SER  16 -15.831   0.369   1.811
  131    HB3  SER  16           3HB      SER  16 -16.500   0.671   0.208
  132    HG   SER  16           HG       SER  16 -16.572   2.345   2.486
  133    H    GLU  17           H        GLU  17 -19.644   1.978   1.244
  134    HA   GLU  17           HA       GLU  17 -19.653   3.075   3.914
  135    HB2  GLU  17           2HB      GLU  17 -19.841   4.408   1.742
  136    HB3  GLU  17           3HB      GLU  17 -21.502   3.837   1.660
  137    HG2  GLU  17           2HG      GLU  17 -21.269   4.824   4.231
  138    HG3  GLU  17           3HG      GLU  17 -20.344   5.959   3.250
  Start of MODEL   20
    1    H1   ARG   1           H        ARG   1   3.684   1.709  -1.155
    2    HA   ARG   1           HA       ARG   1   2.781  -0.673  -2.403
    3    HB2  ARG   1           2HB      ARG   1   1.146   0.270  -0.040
    4    HB3  ARG   1           3HB      ARG   1   0.721  -1.029  -1.147
    5    HG2  ARG   1           2HG      ARG   1   1.824  -2.489   0.094
    6    HG3  ARG   1           3HG      ARG   1   3.307  -1.546  -0.062
    7    HD2  ARG   1           2HD      ARG   1   2.758  -1.815   2.274
    8    HD3  ARG   1           3HD      ARG   1   2.565  -0.125   1.811
    9    HE   ARG   1           HE       ARG   1   0.140  -1.666   1.659
   10   HH11  ARG   1          1HH1      ARG   1   2.202   0.254   3.703
   11   HH12  ARG   1          2HH1      ARG   1   0.934   0.678   4.806
   12   HH21  ARG   1          1HH2      ARG   1  -1.538  -1.115   3.103
   13   HH22  ARG   1          2HH2      ARG   1  -1.192  -0.103   4.464
   14    H    SER   2           H        SER   2   2.990   1.059  -4.021
   15    HA   SER   2           HA       SER   2   0.980   3.149  -3.977
   16    HB2  SER   2           2HB      SER   2   2.685   2.572  -6.371
   17    HB3  SER   2           3HB      SER   2   2.126   4.122  -5.745
   18    HG   SER   2           HG       SER   2   4.171   4.110  -5.096
   19    H    LYS   3           H        LYS   3   1.558   0.077  -5.545
   20    HA   LYS   3           HA       LYS   3  -0.516   0.354  -7.496
   21    HB2  LYS   3           2HB      LYS   3  -0.156  -2.054  -7.890
   22    HB3  LYS   3           3HB      LYS   3   1.352  -1.148  -7.900
   23    HG2  LYS   3           2HG      LYS   3   0.934  -2.011  -5.250
   24    HG3  LYS   3           3HG      LYS   3   0.611  -3.390  -6.304
   25    HD2  LYS   3           2HD      LYS   3   2.857  -2.448  -7.448
   26    HD3  LYS   3           3HD      LYS   3   3.135  -1.947  -5.778
   27    HE2  LYS   3           2HE      LYS   3   2.947  -4.184  -4.993
   28    HE3  LYS   3           3HE      LYS   3   2.348  -4.748  -6.551
   29    HZ1  LYS   3           3HZ      LYS   3   4.415  -5.089  -7.224
   30    HZ2  LYS   3           1HZ      LYS   3   4.976  -4.679  -5.682
   31    HZ3  LYS   3           2HZ      LYS   3   4.856  -3.492  -6.880
   32    H    ASP   4           H        ASP   4  -0.306  -0.884  -4.232
   33    HA   ASP   4           HA       ASP   4  -2.833  -2.216  -4.256
   34    HB2  ASP   4           2HB      ASP   4  -0.654  -1.862  -2.417
   35    HB3  ASP   4           3HB      ASP   4  -2.173  -1.502  -1.600
   36    H    LEU   5           H        LEU   5  -1.835   1.045  -3.907
   37    HA   LEU   5           HA       LEU   5  -3.862   2.096  -2.299
   38    HB2  LEU   5           2HB      LEU   5  -1.744   3.085  -3.844
   39    HB3  LEU   5           3HB      LEU   5  -3.191   3.894  -4.444
   40    HG   LEU   5           HG       LEU   5  -3.522   4.234  -1.787
   41   HD11  LEU   5          1HD1      LEU   5  -1.610   3.440  -0.842
   42   HD12  LEU   5          2HD1      LEU   5  -1.091   5.090  -1.187
   43   HD13  LEU   5          3HD1      LEU   5  -0.629   3.776  -2.269
   44   HD21  LEU   5          3HD2      LEU   5  -3.463   5.881  -3.747
   45   HD22  LEU   5          1HD2      LEU   5  -1.755   6.085  -3.354
   46   HD23  LEU   5          2HD2      LEU   5  -2.989   6.479  -2.156
   47    H    ARG   6           H        ARG   6  -3.965   0.869  -5.506
   48    HA   ARG   6           HA       ARG   6  -6.285   2.293  -6.376
   49    HB2  ARG   6           2HB      ARG   6  -4.395   0.646  -7.576
   50    HB3  ARG   6           3HB      ARG   6  -5.881  -0.292  -7.651
   51    HG2  ARG   6           2HG      ARG   6  -6.740   1.001  -9.246
   52    HG3  ARG   6           3HG      ARG   6  -6.265   2.486  -8.418
   53    HD2  ARG   6           2HD      ARG   6  -4.143   2.490  -9.396
   54    HD3  ARG   6           3HD      ARG   6  -4.246   0.787  -9.841
   55    HE   ARG   6           HE       ARG   6  -6.265   2.091 -11.215
   56   HH11  ARG   6          1HH1      ARG   6  -2.789   2.180 -11.058
   57   HH12  ARG   6          2HH1      ARG   6  -2.597   2.681 -12.705
   58   HH21  ARG   6          1HH2      ARG   6  -6.026   2.751 -13.385
   59   HH22  ARG   6          2HH2      ARG   6  -4.439   3.007 -14.027
   60    H    HIS   7           H        HIS   7  -5.731  -0.465  -4.401
   61    HA   HIS   7           HA       HIS   7  -8.268  -1.719  -4.783
   62    HB2  HIS   7           2HB      HIS   7  -6.195  -1.975  -2.600
   63    HB3  HIS   7           3HB      HIS   7  -7.656  -2.956  -2.677
   64    HD1  HIS   7           HD1      HIS   7  -6.735  -5.207  -3.238
   65    HD2  HIS   7           HD2      HIS   7  -5.230  -2.225  -5.709
   66    HE1  HIS   7           HE1      HIS   7  -5.406  -6.405  -5.005
   67    H    ALA   8           H        ALA   8  -7.169   0.975  -2.975
   68    HA   ALA   8           HA       ALA   8  -9.150   0.921  -0.922
   69    HB1  ALA   8           1HB      ALA   8  -8.455   3.263  -0.519
   70    HB2  ALA   8           2HB      ALA   8  -7.101   2.134  -0.568
   71    HB3  ALA   8           3HB      ALA   8  -7.433   3.173  -1.954
   72    H    PHE   9           H        PHE   9  -9.106   1.945  -4.215
   73    HA   PHE   9           HA       PHE   9 -11.059   3.915  -4.257
   74    HB2  PHE   9           2HB      PHE   9 -10.141   1.865  -6.233
   75    HB3  PHE   9           3HB      PHE   9 -11.575   2.818  -6.598
   76    HD1  PHE   9           HD2      PHE   9  -8.024   3.194  -5.551
   77    HD2  PHE   9           HD1      PHE   9 -11.348   4.884  -7.602
   78    HE1  PHE   9           HE2      PHE   9  -6.594   5.030  -6.348
   79    HE2  PHE   9           HE1      PHE   9  -9.923   6.722  -8.404
   80    HZ   PHE   9           HZ       PHE   9  -7.543   6.798  -7.775
   81    H    ARG  10           H        ARG  10 -11.374   0.442  -3.967
   82    HA   ARG  10           HA       ARG  10 -14.155   0.287  -4.488
   83    HB2  ARG  10           2HB      ARG  10 -14.032  -1.948  -3.700
   84    HB3  ARG  10           3HB      ARG  10 -12.501  -1.629  -4.505
   85    HG2  ARG  10           2HG      ARG  10 -11.680  -2.600  -2.644
   86    HG3  ARG  10           3HG      ARG  10 -11.814  -0.957  -2.014
   87    HD2  ARG  10           2HD      ARG  10 -14.252  -1.759  -1.407
   88    HD3  ARG  10           3HD      ARG  10 -13.496  -3.351  -1.467
   89    HE   ARG  10           HE       ARG  10 -12.052  -1.446   0.129
   90   HH11  ARG  10          1HH1      ARG  10 -14.624  -3.792   0.099
   91   HH12  ARG  10          2HH1      ARG  10 -14.551  -4.087   1.805
   92   HH21  ARG  10          1HH2      ARG  10 -11.945  -1.826   2.375
   93   HH22  ARG  10          2HH2      ARG  10 -13.027  -2.968   3.099
   94    H    SER  11           H        SER  11 -12.267   0.968  -1.623
   95    HA   SER  11           HA       SER  11 -14.415   0.668   0.232
   96    HB2  SER  11           2HB      SER  11 -12.359   0.477   1.283
   97    HB3  SER  11           3HB      SER  11 -11.642   1.789   0.348
   98    HG   SER  11           HG       SER  11 -12.527   3.244   1.671
   99    H    MET  12           H        MET  12 -13.288   3.222  -1.824
  100    HA   MET  12           HA       MET  12 -14.578   5.365  -0.450
  101    HB2  MET  12           2HB      MET  12 -12.961   5.023  -2.827
  102    HB3  MET  12           3HB      MET  12 -14.314   6.104  -3.137
  103    HG2  MET  12           2HG      MET  12 -13.039   7.709  -2.292
  104    HG3  MET  12           3HG      MET  12 -13.364   6.987  -0.718
  105    HE1  MET  12           3HE      MET  12  -9.904   8.450  -1.160
  106    HE2  MET  12           1HE      MET  12 -11.489   8.553  -0.394
  107    HE3  MET  12           2HE      MET  12 -10.207   7.605   0.358
  108    H    PHE  13           H        PHE  13 -15.579   2.985  -2.758
  109    HA   PHE  13           HA       PHE  13 -17.869   4.348  -3.746
  110    HB2  PHE  13           2HB      PHE  13 -16.684   1.683  -3.990
  111    HB3  PHE  13           3HB      PHE  13 -18.444   1.663  -4.010
  112    HD1  PHE  13           HD2      PHE  13 -15.976   4.098  -5.377
  113    HD2  PHE  13           HD1      PHE  13 -19.132   1.358  -6.183
  114    HE1  PHE  13           HE2      PHE  13 -15.952   4.771  -7.743
  115    HE2  PHE  13           HE1      PHE  13 -19.112   2.026  -8.551
  116    HZ   PHE  13           HZ       PHE  13 -17.521   3.736  -9.333
  117    HA   PRO  14           HA       PRO  14 -20.842   3.662  -0.585
  118    HB2  PRO  14           2HB      PRO  14 -23.110   3.243  -2.008
  119    HB3  PRO  14           3HB      PRO  14 -22.320   4.820  -1.913
  120    HG2  PRO  14           2HG      PRO  14 -22.271   2.805  -4.105
  121    HG3  PRO  14           3HG      PRO  14 -22.273   4.575  -4.203
  122    HD2  PRO  14           2HD      PRO  14 -20.065   3.014  -4.542
  123    HD3  PRO  14           3HD      PRO  14 -20.037   4.725  -4.068
  124    H    SEP  15           H        SEP  15 -20.234   1.150  -2.915
  125    HA   SEP  15           HA       SEP  15 -22.044  -0.797  -1.738
  126    HB2  SEP  15           2HB      SEP  15 -21.052  -0.826  -4.185
  127    HB3  SEP  15           3HB      SEP  15 -19.579  -1.462  -3.499
  128    H    SER  16           H        SER  16 -18.718   0.130  -1.264
  129    HA   SER  16           HA       SER  16 -18.232  -1.971   0.667
  130    HB2  SER  16           2HB      SER  16 -16.470  -1.034  -0.905
  131    HB3  SER  16           3HB      SER  16 -16.473   0.419   0.095
  132    HG   SER  16           HG       SER  16 -15.476  -0.632   1.650
  133    H    GLU  17           H        GLU  17 -19.236   1.346   0.643
  134    HA   GLU  17           HA       GLU  17 -18.650   1.845   3.410
  135    HB2  GLU  17           2HB      GLU  17 -19.944   3.323   1.187
  136    HB3  GLU  17           3HB      GLU  17 -20.419   3.776   2.818
  137    HG2  GLU  17           2HG      GLU  17 -17.524   3.555   2.171
  138    HG3  GLU  17           3HG      GLU  17 -18.425   4.962   1.611