*HEADER    ANTIMICROBIAL PROTEIN                   18-APR-16   2NCU              
*TITLE     NMR STRUCTURE OF KYE21 IN LPS MICELLES                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HEPARIN COFACTOR 2;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: GLYCOSAMINOGLYCAN-BINDING SITE RESIDUES 192-212;           
*COMPND   5 SYNONYM: HEPARIN COFACTOR II, HC-II, PROTEASE INHIBITOR LEUSERPIN-2, 
*COMPND   6 HLS2, SERPIN D1;                                                     
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    ANTIMICROBIAL PEPTIDE, ANTIMICROBIAL PROTEIN                          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.DATTA, A.BHUNIA, M.MALMSTEN                                         
*REVDAT   1   01-MAR-17 2NCU    0                                                


LYS
TYR
GLU
ILE
THR
THR
ILE
HIS
ASN
LEU
PHE
ARG
LYS
LEU
THR
HIS
ARG
LEU
PHE
ARG
ARG
# Torsion angle constraints 
# generated from HA secondary chemical shifts   
   
   2 TYR  PHI  -120   -30
   2 TYR  PSI  -120   120
   3 GLU  PHI  -120   -30
   3 GLU  PSI  -120   120
   4 ILE  PHI  -120   -30
   4 ILE  PSI  -120   120
   5 THR  PHI  -120   -30
   5 THR  PSI  -120   120
   6 THR  PHI  -120   -30
   6 THR  PSI  -120   120
   7 ILE  PHI  -120   -30
   7 ILE  PSI  -120   120
   8 HIS  PHI  -120   -30
   8 HIS  PSI  -120   120
   9 ASN  PHI  -120   -30
   9 ASN  PSI  -120   120
  10 LEU  PHI  -120   -30
  10 LEU  PSI  -120   120
  11 PHE  PHI  -120   -30
  11 PHE  PSI  -120   120
  12 ARG  PHI  -120   -30
  12 ARG  PSI  -120   120
  13 LYS  PHI  -120   -30
  13 LYS  PSI  -120   120
  14 LEU  PHI  -120   -30
  14 LEU  PSI  -120   120
  15 THR  PHI  -120   -30
  15 THR  PSI  -120   120
  16 HIS  PHI  -120   -30
  16 HIS  PSI  -120   120
  17 ARG  PHI  -120   -30
  17 ARG  PSI  -120   120
  18 LEU  PHI  -120   -30
  18 LEU  PSI  -120   120
  19 PHE  PHI  -120   -30
  19 PHE  PSI  -120   120
  20 ARG  PHI  -120   -30
  20 ARG  PSI  -120   120
  21 ARG  PHI  -120   -30
  21 ARG  PSI  -120   120
1 LYS HA 2 TYR H  3.3 2.0
1 LYS QB 2 TYR H  4.0 2.0
2 TYR QB 2 TYR H  3.5 2.0
2 TYR HA 2 TYR QD 4.0 2.0
2 TYR QB 2 TYR QD 4.0 2.0
2 TYR HA 2 TYR QE 4.5 2.0
2 TYR QB 2 TYR QE 4.5 2.0
2 TYR HA 3 GLU H  3.5 2.0
2 TYR QB    3 GLU H  3.8 2.0
3 GLU HB2 3 GLU H  3.8 2.0
3 GLU HB3 3 GLU H  3.8 2.0
3 GLU QG 3 GLU H  3.8 2.0
3 GLU HA 4 ILE H  3.5 2.0
3 GLU HB2 4 ILE H  3.8 2.0
3 GLU QG 4 ILE H  4.0 2.0
4 ILE HB 4 ILE H  3.5 2.0
4 ILE HG12 4 ILE H  4.5 2.0
4 ILE HG21 4 ILE H  4.3 2.0
4 ILE HA 5 THR H  3.5 2.0
4 ILE HB 5 THR H  4.0 2.0
4 ILE HG12 5 THR H  4.5 2.0
4 ILE HG21  5 THR H  4.5 2.0
5 THR HB 5 THR H  3.5 2.0
5 THR HG21 5 THR H  4.0 2.0
5 THR HA 6 THR H  3.5 2.0
5 THR HB 6 THR H  3.8 2.0
5 THR HG21 6 THR H  4.0 2.0
6 THR HB 6 THR H  3.5 2.0
6 THR HG21 6 THR H  4.3 2.0
6 THR HA 7 ILE H  3.5 2.0
6 THR HB 7 ILE H  4.2 2.0
6 THR HG21 7 ILE H  4.2 2.0
7 ILE HB 7 ILE H  3.5 2.0
7 ILE HG12  7 ILE H  4.6 2.0
7 ILE HG21 7 ILE H  4.0 2.0
7 ILE HA  8 HIS H  3.5 2.0
7 ILE HB 8 HIS H  3.8 2.0
7 ILE HG12 8 HIS H  5.0 2.0
7 ILE HG21 8 HIS H  4.8 2.0
8 HIS HB2 8 HIS H  3.5 2.0
8 HIS HB3 8 HIS H  3.5 2.0
8 HIS HA 9 ASN H  3.5 2.0
8 HIS HB2 9 ASN H  3.8 2.0
8 HIS HB3 9 ASN H  3.8 2.0
9 ASN QB 9 ASN H  3.5 2.0
9 ASN HA 10 LEU H 3.5 2.0
9 ASN QB 10 LEU H 3.8 2.0
10 LEU QB 10 LEU H 3.5 2.0
10 LEU HG  10 LEU H 4.3 2.0
10 LEU QQD 10 LEU H 3.8 2.0
10 LEU HA 11 PHE H 3.5 2.0
10 LEU QB 11 PHE H 3.8 2.0
10 LEU HG 11 PHE H 4.5 2.0
10 LEU QQD  11 PHE H 4.5 2.0
10 LEU QQD 11 PHE QD 4.5 2.0
10 LEU QQD 11 PHE QE 4.8 2.0
10 LEU HG 11 PHE QD 4.8 2.0
11 PHE QB 11 PHE H 3.5 2.0
11 PHE HA 11 PHE QD 4.0 2.0
11 PHE QB 11 PHE QD 3.9 2.0
11 PHE QB 11 PHE QE 4.2 2.0
11 PHE HA 12 ARG H 3.5 2.0
11 PHE QB 12 ARG H 3.8 2.0
12 ARG QB 12 ARG H 3.5 2.0
12 ARG QG 12 ARG H 3.8 2.0
12 ARG QD 12 ARG H 4.1 2.0
12 ARG HA 13 LYS H 3.5 2.0
12 ARG QB 13 LYS H 3.8 2.0
12 ARG QG 13 LYS H 4.0 2.0
12 ARG QD 13 LYS H 4.2 2.0
13 LYS QB 13 LYS H 3.5 2.0
13 LYS QG 13 LYS H 4.2 2.0
13 LYS QD 13 LYS H 4.5 2.0
13 LYS HA 14 LEU H 3.5 2.0
13 LYS QB 14 LEU H 3.9 2.0
13 LYS QG 14 LEU H 4.2 2.0
13 LYS QD 14 LEU H 4.5 2.0
14 LEU QB 14 LEU H 3.5 2.0
14 LEU HG  14 LEU H 4.5 2.0
14 LEU QQD 14 LEU H 3.8 2.0
14 LEU HA 15 THR H 3.5 2.0
14 LEU QB 15 THR H 3.8 2.0
14 LEU HG 15 THR H 4.5 2.0
14 LEU QQD  15 THR H 4.5 2.0
15 THR HB 15 THR H 3.5 2.0
15 THR HG21 15 THR H 3.8 2.0
15 THR HA 16 HIS H 3.5 2.0
15 THR HB 16 HIS H 3.8 2.0
15 THR HG21 16 HIS H 4.2 2.0
16 HIS HB2 16 HIS H 3.8 2.0
16 HIS HB3 16 HIS H 3.5 2.0
16 HIS HA 17 ARG H 3.5 2.0
16 HIS HB2 17 ARG H 4.2 2.0
16 HIS HB3 17 ARG H 4.5 2.0
17 ARG QB 17 ARG H 3.5 2.0
17 ARG QG 17 ARG H 4.0 2.0
17 ARG QD 17 ARG H 4.0 2.0
17 ARG HA 18 LEU H 3.5 2.0
17 ARG QB 18 LEU H 4.5 2.0
17 ARG QG 18 LEU H 4.5 2.0
17 ARG QD 18 LEU H 4.8 2.0  
18 LEU QB 18 LEU H 3.5 2.0
18 LEU HG  18 LEU H 4.0 2.0
18 LEU QQD 18 LEU H 3.8 2.0
18 LEU HA 19 PHE H 3.5 2.0
18 LEU QB 19 PHE H 3.8 2.0
18 LEU HG 19 PHE H 4.5 2.0
18 LEU QQD  19 PHE H 4.5 2.0
19 PHE QB 19 PHE H 3.5 2.0
19 PHE HA 19 PHE QD 4.0 2.0
19 PHE QB 19 PHE QD 3.9 2.0
19 PHE QB 19 PHE QE 4.2 2.0
19 PHE HA 20 ARG H 3.5 2.0
19 PHE QB 20 ARG H 3.8 2.0
20 ARG QB 20 ARG H 3.5 2.0
20 ARG QG 20 ARG H 4.0 2.0
20 ARG QD 20 ARG H 4.0 2.0
20 ARG HA 21 ARG H 3.5 2.0
20 ARG QB 21 ARG H 4.5 2.0
20 ARG QG 21 ARG H 4.5 2.0
20 ARG QD 21 ARG H 4.8 2.0 
21 ARG QB 21 ARG H 3.5 2.0
21 ARG QG 21 ARG H 4.0 2.0
21 ARG QD 21 ARG H 4.0 2.0
1 LYS H  2 TYR H  3.8 2.0
2 TYR H  3 GLU H  2.8 2.0
3 GLU H  4 ILE H  4.0 2.0
4 ILE H  5 THR H  3.8 2.0
5 THR H  6 THR H  2.8 2.0
6 THR H  7 ILE H  2.8 2.0
7 ILE H  8 HIS H  2.8 2.0
8 HIS H  9 ASN H  2.8 2.0
9 ASN H  10 LEU H 2.8 2.0
10 LEU H 11 PHE H 4.0 2.0
11 PHE H 12 ARG H 2.8 2.0
12 ARG H 13 LYS H 3.8 2.0
13 LYS H 14 LEU H 4.0 2.0
14 LEU H 15 THR H 2.8 2.0
15 THR H 16 HIS H 2.8 2.0
16 HIS H 17 ARG H 2.8 2.0
17 ARG H 18 LEU H 4.0 2.0
18 LEU H 19 PHE H 4.0 2.0
19 PHE H 20 ARG H 3.8 2.0
20 ARG H 21 ARG H 2.8 2.0
3 GLU H  5 THR H  4.2 2.0
4 ILE H  6 THR H  4.2 2.0
4 ILE HA 8 HIS H  4.2 2.0
6 THR H  8 HIS H  4.2 2.0
7 ILE H  9 ASN H  4.2 2.0
14 LEU H 16 HIS H 4.2 2.0
17 ARG H 19 PHE H 4.2 2.0
15 THR H 13 LYS H 4.2 2.0
11 PHE H 13 LYS H 4.2 2.0
2 TYR HA 5 THR H  3.8 2.0
2 TYR HA 6 THR H  4.2 2.0
3 GLU HA 7 ILE H  4.6 2.0
6 THR HA 8 HIS H  4.4 2.0
6 THR HA 9 ASN H  3.4 2.0
5 THR HA 7 ILE H  4.4 2.0
7 ILE HA 9 ASN H  4.5 2.0
8 HIS HA 11 PHE H 4.2 2.0
8 HIS HA 12 ARG H 4.4 2.0
8 HIS HA 10 LEU H 4.4 2.0
9 ASN HA 11 PHE H 4.0 2.0
11 PHE HA 13 LYS H 4.4 2.0
11 PHE HA  14 LEU H 3.4 2.0
12 ARG HA 15 THR H 3.4 2.0
12 ARG HA 16 HIS H 4.2 2.0
13 LYS HA 17 ARG H 4.2 2.0
14 LEU HA  16 HIS H 4.4 2.0
9 ASN QB 11 PHE H 4.4 2.0
5 THR HG21 9 ASN HD21 5.0 2.0
15 THR HA 19 PHE QE 4.5 2.0
15 THR HA 19 PHE QD 4.2 2.0
11 PHE HB2 19 PHE QE 4.0 2.0
19 PHE QE 11 PHE QD 3.5 2.0
19 PHE QD 11 PHE QE 3.5 2.0
15 THR HG21 11 PHE QD 3.8 2.0
15 THR HG21 11 PHE QE 4.0 2.0
15 THR HG21 19 PHE QE 4.0 2.0
11 PHE HB2 2 TYR QD 5.3 2.0
7 ILE HG12 2 TYR QD 4.2 2.0
7 ILE HD1 2 TYR QD 4.2 2.0
7 ILE HG12 2 TYR QE 4.1 2.0
7 ILE HD1 2 TYR QE 4.2 2.0
10 LEU QB 2 TYR QD 4.9 2.0
5 THR HG21 9 ASN HD22 4.8 2.0
6 THR HG21 9 ASN HD22 5.3 2.0
2 TYR QE 11 PHE QD 4.5 2.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           H        LYS   1   1.806   0.000   0.856
    2    HA   LYS   1           HA       LYS   1   2.176   1.019  -1.582
    3    HB2  LYS   1           2HB      LYS   1   3.787  -0.343   0.021
    4    HB3  LYS   1           3HB      LYS   1   3.476  -1.631  -1.136
    5    HG2  LYS   1           2HG      LYS   1   4.730  -0.676  -2.732
    6    HG3  LYS   1           3HG      LYS   1   4.190   0.955  -2.328
    7    HD2  LYS   1           2HD      LYS   1   6.117  -0.607  -0.620
    8    HD3  LYS   1           3HD      LYS   1   6.637   0.466  -1.922
    9    HE2  LYS   1           2HE      LYS   1   4.716   1.611  -0.000
   10    HE3  LYS   1           3HE      LYS   1   6.316   1.245   0.643
   11    HZ1  LYS   1           3HZ      LYS   1   6.735   2.489  -1.785
   12    HZ2  LYS   1           1HZ      LYS   1   6.996   3.141  -0.245
   13    HZ3  LYS   1           2HZ      LYS   1   5.517   3.386  -1.028
   14    H    TYR   2           H        TYR   2  -0.392  -0.411  -1.504
   15    HA   TYR   2           HA       TYR   2  -0.051  -2.062  -3.923
   16    HB2  TYR   2           2HB      TYR   2  -0.946  -3.047  -1.599
   17    HB3  TYR   2           3HB      TYR   2  -2.468  -2.428  -2.230
   18    HD1  TYR   2           HD2      TYR   2  -2.001  -2.941  -5.154
   19    HD2  TYR   2           HD1      TYR   2  -1.294  -5.369  -1.732
   20    HE1  TYR   2           HE2      TYR   2  -2.249  -4.958  -6.540
   21    HE2  TYR   2           HE1      TYR   2  -1.540  -7.392  -3.109
   22    HH   TYR   2           HH       TYR   2  -2.126  -7.174  -6.605
   23    H    GLU   3           H        GLU   3  -0.345   0.723  -4.030
   24    HA   GLU   3           HA       GLU   3  -3.069   0.977  -5.127
   25    HB2  GLU   3           2HB      GLU   3  -2.783   3.455  -4.684
   26    HB3  GLU   3           3HB      GLU   3  -2.974   2.437  -3.264
   27    HG2  GLU   3           2HG      GLU   3  -0.485   2.449  -3.027
   28    HG3  GLU   3           3HG      GLU   3  -0.434   3.652  -4.314
   29    H    ILE   4           H        ILE   4   0.271   2.161  -5.418
   30    HA   ILE   4           HA       ILE   4  -0.183   2.437  -8.317
   31    HB   ILE   4           HB       ILE   4   0.070   4.629  -7.064
   32   HG12  ILE   4          2HG1      ILE   4   2.092   3.957  -9.214
   33   HG13  ILE   4          3HG1      ILE   4   0.421   4.440  -9.483
   34   HG21  ILE   4          1HG2      ILE   4   2.970   3.837  -6.911
   35   HG22  ILE   4          2HG2      ILE   4   2.212   5.299  -6.282
   36   HG23  ILE   4          3HG2      ILE   4   1.861   3.736  -5.545
   37   HD11  ILE   4          3HD1      ILE   4   1.682   6.358  -9.887
   38   HD12  ILE   4          1HD1      ILE   4   1.025   6.591  -8.267
   39   HD13  ILE   4          2HD1      ILE   4   2.704   6.093  -8.474
   40    H    THR   5           H        THR   5   1.581   0.972  -5.853
   41    HA   THR   5           HA       THR   5   3.936   0.487  -7.514
   42    HB   THR   5           HB       THR   5   3.317  -0.150  -4.632
   43    HG1  THR   5           HG1      THR   5   4.660   1.481  -4.246
   44   HG21  THR   5          3HG2      THR   5   5.717  -0.977  -6.266
   45   HG22  THR   5          1HG2      THR   5   4.543  -2.044  -5.496
   46   HG23  THR   5          2HG2      THR   5   5.623  -1.061  -4.507
   47    H    THR   6           H        THR   6   2.135  -1.677  -5.342
   48    HA   THR   6           HA       THR   6   2.681  -3.959  -6.957
   49    HB   THR   6           HB       THR   6   0.654  -3.689  -4.728
   50    HG1  THR   6           HG1      THR   6   3.361  -4.585  -4.630
   51   HG21  THR   6          3HG2      THR   6   2.029  -6.137  -5.842
   52   HG22  THR   6          1HG2      THR   6   0.358  -5.676  -6.168
   53   HG23  THR   6          2HG2      THR   6   0.852  -6.101  -4.529
   54    H    ILE   7           H        ILE   7   0.151  -1.612  -6.881
   55    HA   ILE   7           HA       ILE   7  -1.924  -3.119  -8.056
   56    HB   ILE   7           HB       ILE   7  -1.436  -0.326  -7.436
   57   HG12  ILE   7          2HG1      ILE   7  -3.092  -1.806  -6.337
   58   HG13  ILE   7          3HG1      ILE   7  -3.828  -0.348  -6.994
   59   HG21  ILE   7          1HG2      ILE   7  -1.464   0.027  -9.813
   60   HG22  ILE   7          2HG2      ILE   7  -2.915  -0.959  -9.984
   61   HG23  ILE   7          3HG2      ILE   7  -2.994   0.587  -9.139
   62   HD11  ILE   7          3HD1      ILE   7  -4.874  -2.762  -7.324
   63   HD12  ILE   7          1HD1      ILE   7  -5.029  -1.488  -8.533
   64   HD13  ILE   7          2HD1      ILE   7  -3.805  -2.742  -8.726
   65    H    HIS   8           H        HIS   8   0.890  -1.556  -9.373
   66    HA   HIS   8           HA       HIS   8  -0.021  -2.236 -12.091
   67    HB2  HIS   8           2HB      HIS   8   1.152   0.160 -11.026
   68    HB3  HIS   8           3HB      HIS   8   2.227  -0.525 -12.241
   69    HD1  HIS   8           HD1      HIS   8  -1.570  -0.219 -12.157
   70    HD2  HIS   8           HD2      HIS   8   1.685   0.794 -14.532
   71    HE1  HIS   8           HE1      HIS   8  -2.545   0.851 -14.214
   72    H    ASN   9           H        ASN   9   1.811  -3.419  -9.702
   73    HA   ASN   9           HA       ASN   9   3.947  -4.375 -11.484
   74    HB2  ASN   9           2HB      ASN   9   5.129  -3.542  -9.710
   75    HB3  ASN   9           3HB      ASN   9   3.813  -3.806  -8.570
   76   HD21  ASN   9          1HD2      ASN   9   4.646  -5.011  -7.012
   77   HD22  ASN   9          2HD2      ASN   9   5.502  -6.495  -7.237
   78    H    LEU  10           H        LEU  10   1.430  -5.383  -9.246
   79    HA   LEU  10           HA       LEU  10   1.927  -8.188  -9.976
   80    HB2  LEU  10           2HB      LEU  10   1.981  -7.884  -7.619
   81    HB3  LEU  10           3HB      LEU  10   0.495  -6.937  -7.645
   82    HG   LEU  10           HG       LEU  10  -0.808  -8.905  -8.128
   83   HD11  LEU  10          1HD1      LEU  10   0.178 -10.486  -9.353
   84   HD12  LEU  10          2HD1      LEU  10   0.836 -11.083  -7.830
   85   HD13  LEU  10          3HD1      LEU  10   1.794 -10.001  -8.840
   86   HD21  LEU  10          3HD2      LEU  10  -0.870  -9.382  -5.961
   87   HD22  LEU  10          1HD2      LEU  10   0.623  -8.466  -5.760
   88   HD23  LEU  10          2HD2      LEU  10   0.688 -10.205  -6.049
   89    H    PHE  11           H        PHE  11   0.058  -5.646 -10.872
   90    HA   PHE  11           HA       PHE  11  -2.174  -7.401 -11.662
   91    HB2  PHE  11           2HB      PHE  11  -2.308  -5.080 -10.117
   92    HB3  PHE  11           3HB      PHE  11  -2.830  -4.574 -11.720
   93    HD1  PHE  11           HD2      PHE  11  -3.509  -6.927  -8.961
   94    HD2  PHE  11           HD1      PHE  11  -4.938  -5.193 -12.576
   95    HE1  PHE  11           HE2      PHE  11  -5.738  -7.874  -8.530
   96    HE2  PHE  11           HE1      PHE  11  -7.170  -6.137 -12.150
   97    HZ   PHE  11           HZ       PHE  11  -7.572  -7.480 -10.126
   98    H    ARG  12           H        ARG  12   0.456  -5.710 -12.744
   99    HA   ARG  12           HA       ARG  12  -0.284  -4.350 -15.009
  100    HB2  ARG  12           2HB      ARG  12   1.951  -5.208 -15.958
  101    HB3  ARG  12           3HB      ARG  12   1.990  -4.267 -14.472
  102    HG2  ARG  12           2HG      ARG  12   2.448  -6.132 -13.157
  103    HG3  ARG  12           3HG      ARG  12   1.905  -7.258 -14.403
  104    HD2  ARG  12           2HD      ARG  12   4.206  -7.450 -14.535
  105    HD3  ARG  12           3HD      ARG  12   3.855  -6.265 -15.793
  106    HE   ARG  12           HE       ARG  12   4.354  -4.872 -13.433
  107   HH11  ARG  12          1HH1      ARG  12   6.049  -6.938 -15.665
  108   HH12  ARG  12          2HH1      ARG  12   7.593  -6.213 -15.366
  109   HH21  ARG  12          1HH2      ARG  12   6.383  -3.909 -13.031
  110   HH22  ARG  12          2HH2      ARG  12   7.783  -4.491 -13.867
  111    H    LYS  13           H        LYS  13  -0.047  -7.825 -14.542
  112    HA   LYS  13           HA       LYS  13  -0.283  -8.602 -17.238
  113    HB2  LYS  13           2HB      LYS  13  -1.027 -10.788 -16.312
  114    HB3  LYS  13           3HB      LYS  13   0.453 -10.187 -15.577
  115    HG2  LYS  13           2HG      LYS  13  -0.890  -9.354 -13.668
  116    HG3  LYS  13           3HG      LYS  13  -2.313 -10.108 -14.392
  117    HD2  LYS  13           2HD      LYS  13  -1.649 -12.202 -13.836
  118    HD3  LYS  13           3HD      LYS  13   0.062 -11.837 -14.068
  119    HE2  LYS  13           2HE      LYS  13   0.355 -11.376 -11.903
  120    HE3  LYS  13           3HE      LYS  13  -1.096 -10.377 -11.838
  121    HZ1  LYS  13           3HZ      LYS  13  -2.432 -12.255 -11.426
  122    HZ2  LYS  13           1HZ      LYS  13  -1.098 -12.416 -10.397
  123    HZ3  LYS  13           2HZ      LYS  13  -1.191 -13.338 -11.813
  124    H    LEU  14           H        LEU  14  -2.709  -7.997 -14.733
  125    HA   LEU  14           HA       LEU  14  -4.911  -8.705 -16.435
  126    HB2  LEU  14           2HB      LEU  14  -4.811  -7.272 -13.786
  127    HB3  LEU  14           3HB      LEU  14  -6.294  -7.767 -14.600
  128    HG   LEU  14           HG       LEU  14  -4.166  -9.556 -13.433
  129   HD11  LEU  14          1HD1      LEU  14  -6.846  -8.634 -12.596
  130   HD12  LEU  14          2HD1      LEU  14  -5.441  -9.076 -11.627
  131   HD13  LEU  14          3HD1      LEU  14  -6.466 -10.334 -12.319
  132   HD21  LEU  14          3HD2      LEU  14  -6.210 -10.059 -15.476
  133   HD22  LEU  14          1HD2      LEU  14  -6.221 -11.193 -14.125
  134   HD23  LEU  14          2HD2      LEU  14  -4.752 -10.969 -15.076
  135    H    THR  15           H        THR  15  -3.593  -5.660 -15.161
  136    HA   THR  15           HA       THR  15  -5.389  -3.868 -16.228
  137    HB   THR  15           HB       THR  15  -3.693  -2.180 -16.095
  138    HG1  THR  15           HG1      THR  15  -1.918  -4.380 -16.287
  139   HG21  THR  15          3HG2      THR  15  -2.463  -3.396 -13.896
  140   HG22  THR  15          1HG2      THR  15  -4.061  -4.132 -14.003
  141   HG23  THR  15          2HG2      THR  15  -3.904  -2.380 -13.883
  142    H    HIS  16           H        HIS  16  -2.713  -5.505 -17.826
  143    HA   HIS  16           HA       HIS  16  -3.128  -4.046 -20.298
  144    HB2  HIS  16           2HB      HIS  16  -0.860  -4.834 -19.413
  145    HB3  HIS  16           3HB      HIS  16  -1.347  -6.449 -19.920
  146    HD1  HIS  16           HD1      HIS  16  -0.854  -7.048 -22.281
  147    HD2  HIS  16           HD2      HIS  16  -0.798  -2.940 -21.666
  148    HE1  HIS  16           HE1      HIS  16  -0.065  -6.054 -24.452
  149    H    ARG  17           H        ARG  17  -4.042  -7.066 -18.860
  150    HA   ARG  17           HA       ARG  17  -5.097  -8.039 -21.419
  151    HB2  ARG  17           2HB      ARG  17  -4.631  -9.410 -18.771
  152    HB3  ARG  17           3HB      ARG  17  -5.491 -10.166 -20.106
  153    HG2  ARG  17           2HG      ARG  17  -3.567 -10.204 -21.460
  154    HG3  ARG  17           3HG      ARG  17  -2.705  -9.090 -20.397
  155    HD2  ARG  17           2HD      ARG  17  -1.882 -10.805 -19.255
  156    HD3  ARG  17           3HD      ARG  17  -3.516 -11.333 -18.857
  157    HE   ARG  17           HE       ARG  17  -2.982 -12.205 -21.438
  158   HH11  ARG  17          1HH1      ARG  17  -1.768 -12.732 -18.218
  159   HH12  ARG  17          2HH1      ARG  17  -1.258 -14.357 -18.535
  160   HH21  ARG  17          1HH2      ARG  17  -2.315 -14.343 -21.868
  161   HH22  ARG  17          2HH2      ARG  17  -1.569 -15.272 -20.612
  162    H    LEU  18           H        LEU  18  -6.388  -8.875 -18.271
  163    HA   LEU  18           HA       LEU  18  -8.908  -7.529 -18.990
  164    HB2  LEU  18           2HB      LEU  18 -10.078  -9.381 -17.828
  165    HB3  LEU  18           3HB      LEU  18  -9.227  -9.873 -19.291
  166    HG   LEU  18           HG       LEU  18  -7.626 -10.212 -16.878
  167   HD11  LEU  18          1HD1      LEU  18  -8.850 -12.016 -15.908
  168   HD12  LEU  18          2HD1      LEU  18 -10.094 -11.916 -17.153
  169   HD13  LEU  18          3HD1      LEU  18  -9.918 -10.614 -15.977
  170   HD21  LEU  18          3HD2      LEU  18  -7.139 -11.114 -19.148
  171   HD22  LEU  18          1HD2      LEU  18  -8.529 -12.185 -18.970
  172   HD23  LEU  18          2HD2      LEU  18  -7.153 -12.338 -17.877
  173    H    PHE  19           H        PHE  19  -7.989  -5.759 -17.700
  174    HA   PHE  19           HA       PHE  19  -7.256  -5.841 -15.055
  175    HB2  PHE  19           2HB      PHE  19  -7.323  -3.829 -16.627
  176    HB3  PHE  19           3HB      PHE  19  -9.016  -3.661 -16.173
  177    HD1  PHE  19           HD1      PHE  19  -6.058  -4.556 -14.103
  178    HD2  PHE  19           HD2      PHE  19  -9.141  -1.733 -14.904
  179    HE1  PHE  19           HE1      PHE  19  -5.392  -3.269 -12.115
  180    HE2  PHE  19           HE2      PHE  19  -8.479  -0.441 -12.918
  181    HZ   PHE  19           HZ       PHE  19  -6.602  -1.208 -11.521
  182    H    ARG  20           H        ARG  20 -10.534  -4.875 -16.073
  183    HA   ARG  20           HA       ARG  20 -11.549  -5.947 -13.534
  184    HB2  ARG  20           2HB      ARG  20 -12.933  -4.073 -15.459
  185    HB3  ARG  20           3HB      ARG  20 -13.465  -4.503 -13.840
  186    HG2  ARG  20           2HG      ARG  20 -10.961  -2.972 -14.514
  187    HG3  ARG  20           3HG      ARG  20 -12.466  -2.281 -13.905
  188    HD2  ARG  20           2HD      ARG  20 -12.112  -4.033 -11.979
  189    HD3  ARG  20           3HD      ARG  20 -10.430  -3.947 -12.503
  190    HE   ARG  20           HE       ARG  20 -11.110  -1.350 -12.217
  191   HH11  ARG  20          1HH1      ARG  20 -11.394  -4.129 -10.139
  192   HH12  ARG  20          2HH1      ARG  20 -11.241  -3.213  -8.676
  193   HH21  ARG  20          1HH2      ARG  20 -10.908  -0.133 -10.298
  194   HH22  ARG  20          2HH2      ARG  20 -10.965  -0.941  -8.767
  195    H    ARG  21           H        ARG  21 -11.787  -6.236 -16.995
  196    HA   ARG  21           HA       ARG  21 -14.182  -7.586 -17.300
  197    HB2  ARG  21           2HB      ARG  21 -11.579  -7.996 -18.782
  198    HB3  ARG  21           3HB      ARG  21 -13.133  -8.631 -19.305
  199    HG2  ARG  21           2HG      ARG  21 -13.847  -6.635 -20.066
  200    HG3  ARG  21           3HG      ARG  21 -13.046  -5.736 -18.776
  201    HD2  ARG  21           2HD      ARG  21 -11.770  -5.091 -20.560
  202    HD3  ARG  21           3HD      ARG  21 -10.873  -6.517 -20.041
  203    HE   ARG  21           HE       ARG  21 -12.663  -7.472 -21.862
  204   HH11  ARG  21          1HH1      ARG  21 -10.219  -4.993 -21.889
  205   HH12  ARG  21          2HH1      ARG  21  -9.877  -5.167 -23.579
  206   HH21  ARG  21          1HH2      ARG  21 -12.223  -7.709 -24.087
  207   HH22  ARG  21          2HH2      ARG  21 -11.018  -6.711 -24.828
  Start of MODEL    2
    1    H1   LYS   1           H        LYS   1   2.503  -2.062   0.550
    2    HA   LYS   1           HA       LYS   1   1.714   0.044  -0.302
    3    HB2  LYS   1           2HB      LYS   1   4.225  -0.113  -1.980
    4    HB3  LYS   1           3HB      LYS   1   2.987   1.125  -2.149
    5    HG2  LYS   1           2HG      LYS   1   3.437   1.572   0.361
    6    HG3  LYS   1           3HG      LYS   1   4.945   0.702   0.066
    7    HD2  LYS   1           2HD      LYS   1   5.486   2.273  -1.740
    8    HD3  LYS   1           3HD      LYS   1   3.987   3.148  -1.421
    9    HE2  LYS   1           2HE      LYS   1   5.921   2.707   0.806
   10    HE3  LYS   1           3HE      LYS   1   6.262   3.954  -0.392
   11    HZ1  LYS   1           3HZ      LYS   1   3.893   4.732   0.099
   12    HZ2  LYS   1           1HZ      LYS   1   5.085   5.058   1.255
   13    HZ3  LYS   1           2HZ      LYS   1   4.000   3.784   1.496
   14    H    TYR   2           H        TYR   2  -0.072  -0.633  -1.283
   15    HA   TYR   2           HA       TYR   2   0.205  -2.201  -3.763
   16    HB2  TYR   2           2HB      TYR   2  -0.900  -3.190  -1.538
   17    HB3  TYR   2           3HB      TYR   2  -2.314  -2.371  -2.190
   18    HD1  TYR   2           HD2      TYR   2  -1.753  -2.790  -5.123
   19    HD2  TYR   2           HD1      TYR   2  -1.529  -5.445  -1.806
   20    HE1  TYR   2           HE2      TYR   2  -2.166  -4.693  -6.626
   21    HE2  TYR   2           HE1      TYR   2  -1.940  -7.356  -3.299
   22    HH   TYR   2           HH       TYR   2  -2.142  -6.941  -6.799
   23    H    GLU   3           H        GLU   3   0.223   0.599  -3.751
   24    HA   GLU   3           HA       GLU   3  -2.402   1.204  -4.945
   25    HB2  GLU   3           2HB      GLU   3  -0.531   3.200  -3.665
   26    HB3  GLU   3           3HB      GLU   3  -2.156   3.505  -4.263
   27    HG2  GLU   3           2HG      GLU   3  -2.377   1.421  -2.393
   28    HG3  GLU   3           3HG      GLU   3  -1.313   2.631  -1.678
   29    H    ILE   4           H        ILE   4   1.058   2.016  -5.043
   30    HA   ILE   4           HA       ILE   4   0.771   2.465  -7.942
   31    HB   ILE   4           HB       ILE   4   1.207   4.560  -6.577
   32   HG12  ILE   4          2HG1      ILE   4   3.240   3.756  -8.670
   33   HG13  ILE   4          3HG1      ILE   4   1.646   4.434  -8.986
   34   HG21  ILE   4          1HG2      ILE   4   4.063   3.755  -6.428
   35   HG22  ILE   4          2HG2      ILE   4   3.152   4.889  -5.431
   36   HG23  ILE   4          3HG2      ILE   4   2.962   3.153  -5.189
   37   HD11  ILE   4          3HD1      ILE   4   4.129   5.765  -8.412
   38   HD12  ILE   4          1HD1      ILE   4   2.607   6.425  -9.009
   39   HD13  ILE   4          2HD1      ILE   4   2.872   6.250  -7.274
   40    H    THR   5           H        THR   5   2.248   0.709  -5.480
   41    HA   THR   5           HA       THR   5   4.608   0.032  -7.063
   42    HB   THR   5           HB       THR   5   3.790  -0.654  -4.243
   43    HG1  THR   5           HG1      THR   5   5.957   0.416  -3.974
   44   HG21  THR   5          3HG2      THR   5   6.157  -1.674  -5.815
   45   HG22  THR   5          1HG2      THR   5   4.839  -2.635  -5.146
   46   HG23  THR   5          2HG2      THR   5   5.974  -1.823  -4.068
   47    H    THR   6           H        THR   6   2.483  -2.008  -5.073
   48    HA   THR   6           HA       THR   6   2.845  -4.264  -6.771
   49    HB   THR   6           HB       THR   6   0.764  -3.863  -4.614
   50    HG1  THR   6           HG1      THR   6   2.872  -3.642  -3.782
   51   HG21  THR   6          3HG2      THR   6   1.901  -6.404  -5.784
   52   HG22  THR   6          1HG2      THR   6   0.315  -5.738  -6.166
   53   HG23  THR   6          2HG2      THR   6   0.670  -6.284  -4.528
   54    H    ILE   7           H        ILE   7   0.585  -1.656  -6.681
   55    HA   ILE   7           HA       ILE   7  -1.585  -2.868  -8.012
   56    HB   ILE   7           HB       ILE   7  -0.825  -0.179  -7.234
   57   HG12  ILE   7          2HG1      ILE   7  -2.688  -1.509  -6.287
   58   HG13  ILE   7          3HG1      ILE   7  -3.226   0.049  -6.904
   59   HG21  ILE   7          1HG2      ILE   7  -0.694   0.282  -9.590
   60   HG22  ILE   7          2HG2      ILE   7  -2.237  -0.521  -9.874
   61   HG23  ILE   7          3HG2      ILE   7  -2.182   0.984  -8.955
   62   HD11  ILE   7          3HD1      ILE   7  -4.457  -0.879  -8.559
   63   HD12  ILE   7          1HD1      ILE   7  -3.376  -2.260  -8.745
   64   HD13  ILE   7          2HD1      ILE   7  -4.518  -2.208  -7.401
   65    H    HIS   8           H        HIS   8   1.441  -1.576  -9.137
   66    HA   HIS   8           HA       HIS   8   0.585  -2.030 -11.920
   67    HB2  HIS   8           2HB      HIS   8   1.963   0.172 -10.694
   68    HB3  HIS   8           3HB      HIS   8   3.010  -0.575 -11.897
   69    HD1  HIS   8           HD1      HIS   8   1.094   2.199 -11.834
   70    HD2  HIS   8           HD2      HIS   8   0.885  -1.168 -14.259
   71    HE1  HIS   8           HE1      HIS   8  -0.129   2.936 -13.904
   72    H    ASN   9           H        ASN   9   2.165  -3.513  -9.518
   73    HA   ASN   9           HA       ASN   9   4.265  -4.621 -11.256
   74    HB2  ASN   9           2HB      ASN   9   5.447  -4.003  -9.396
   75    HB3  ASN   9           3HB      ASN   9   4.059  -4.169  -8.326
   76   HD21  ASN   9          1HD2      ASN   9   4.683  -5.526  -6.795
   77   HD22  ASN   9          2HD2      ASN   9   5.382  -7.085  -7.057
   78    H    LEU  10           H        LEU  10   1.553  -5.441  -9.173
   79    HA   LEU  10           HA       LEU  10   1.774  -8.249 -10.020
   80    HB2  LEU  10           2HB      LEU  10   1.755  -8.054  -7.649
   81    HB3  LEU  10           3HB      LEU  10   0.379  -6.953  -7.690
   82    HG   LEU  10           HG       LEU  10  -1.097  -8.750  -8.331
   83   HD11  LEU  10          1HD1      LEU  10   0.529  -9.985  -9.721
   84   HD12  LEU  10          2HD1      LEU  10  -0.352 -11.024  -8.602
   85   HD13  LEU  10          3HD1      LEU  10   1.312 -10.559  -8.249
   86   HD21  LEU  10          3HD2      LEU  10  -1.323  -9.262  -6.184
   87   HD22  LEU  10          1HD2      LEU  10   0.272  -8.575  -5.879
   88   HD23  LEU  10          2HD2      LEU  10   0.107 -10.293  -6.244
   89    H    PHE  11           H        PHE  11   0.236  -5.478 -10.865
   90    HA   PHE  11           HA       PHE  11  -2.138  -6.937 -11.825
   91    HB2  PHE  11           2HB      PHE  11  -2.077  -4.674 -10.186
   92    HB3  PHE  11           3HB      PHE  11  -2.479  -4.057 -11.785
   93    HD1  PHE  11           HD2      PHE  11  -3.522  -6.378  -9.121
   94    HD2  PHE  11           HD1      PHE  11  -4.599  -4.453 -12.761
   95    HE1  PHE  11           HE2      PHE  11  -5.855  -7.092  -8.804
   96    HE2  PHE  11           HE1      PHE  11  -6.935  -5.162 -12.449
   97    HZ   PHE  11           HZ       PHE  11  -7.565  -6.485 -10.469
   98    H    ARG  12           H        ARG  12   0.711  -5.522 -12.726
   99    HA   ARG  12           HA       ARG  12   0.213  -3.999 -14.961
  100    HB2  ARG  12           2HB      ARG  12   2.401  -5.026 -15.840
  101    HB3  ARG  12           3HB      ARG  12   2.455  -4.159 -14.311
  102    HG2  ARG  12           2HG      ARG  12   2.850  -6.042 -13.095
  103    HG3  ARG  12           3HG      ARG  12   1.985  -7.086 -14.225
  104    HD2  ARG  12           2HD      ARG  12   3.794  -7.265 -15.649
  105    HD3  ARG  12           3HD      ARG  12   4.520  -5.762 -15.082
  106    HE   ARG  12           HE       ARG  12   5.633  -6.961 -13.493
  107   HH11  ARG  12          1HH1      ARG  12   2.938  -8.848 -14.631
  108   HH12  ARG  12          2HH1      ARG  12   3.380 -10.262 -13.732
  109   HH21  ARG  12          1HH2      ARG  12   6.226  -8.816 -12.305
  110   HH22  ARG  12          2HH2      ARG  12   5.250 -10.242 -12.409
  111    H    LYS  13           H        LYS  13   0.081  -7.492 -14.617
  112    HA   LYS  13           HA       LYS  13  -0.112  -8.124 -17.365
  113    HB2  LYS  13           2HB      LYS  13  -1.105 -10.280 -16.527
  114    HB3  LYS  13           3HB      LYS  13   0.462  -9.868 -15.843
  115    HG2  LYS  13           2HG      LYS  13  -0.406 -10.141 -13.828
  116    HG3  LYS  13           3HG      LYS  13  -1.441  -8.742 -14.124
  117    HD2  LYS  13           2HD      LYS  13  -2.834 -10.585 -13.484
  118    HD3  LYS  13           3HD      LYS  13  -3.086 -10.276 -15.203
  119    HE2  LYS  13           2HE      LYS  13  -2.088 -12.225 -15.838
  120    HE3  LYS  13           3HE      LYS  13  -0.995 -12.243 -14.455
  121    HZ1  LYS  13           3HZ      LYS  13  -2.347 -13.768 -13.605
  122    HZ2  LYS  13           1HZ      LYS  13  -3.548 -13.484 -14.762
  123    HZ3  LYS  13           2HZ      LYS  13  -3.481 -12.537 -13.363
  124    H    LEU  14           H        LEU  14  -2.513  -7.330 -14.910
  125    HA   LEU  14           HA       LEU  14  -4.742  -7.846 -16.659
  126    HB2  LEU  14           2HB      LEU  14  -4.504  -6.581 -13.941
  127    HB3  LEU  14           3HB      LEU  14  -6.036  -6.719 -14.801
  128    HG   LEU  14           HG       LEU  14  -4.305  -8.996 -13.838
  129   HD11  LEU  14          1HD1      LEU  14  -6.818  -7.716 -12.849
  130   HD12  LEU  14          2HD1      LEU  14  -5.384  -8.212 -11.952
  131   HD13  LEU  14          3HD1      LEU  14  -6.512  -9.427 -12.551
  132   HD21  LEU  14          3HD2      LEU  14  -6.174 -10.422 -14.594
  133   HD22  LEU  14          1HD2      LEU  14  -5.359  -9.601 -15.925
  134   HD23  LEU  14          2HD2      LEU  14  -6.917  -9.011 -15.347
  135    H    THR  15           H        THR  15  -3.194  -4.952 -15.294
  136    HA   THR  15           HA       THR  15  -4.815  -2.993 -16.355
  137    HB   THR  15           HB       THR  15  -2.996  -1.453 -16.134
  138    HG1  THR  15           HG1      THR  15  -1.358  -3.777 -16.255
  139   HG21  THR  15          3HG2      THR  15  -1.912  -2.849 -13.955
  140   HG22  THR  15          1HG2      THR  15  -3.575  -3.414 -14.109
  141   HG23  THR  15          2HG2      THR  15  -3.241  -1.691 -13.931
  142    H    HIS  16           H        HIS  16  -2.227  -4.796 -17.927
  143    HA   HIS  16           HA       HIS  16  -2.453  -3.256 -20.370
  144    HB2  HIS  16           2HB      HIS  16  -0.377  -4.594 -19.263
  145    HB3  HIS  16           3HB      HIS  16  -0.963  -5.813 -20.391
  146    HD1  HIS  16           HD1      HIS  16   0.137  -2.176 -20.429
  147    HD2  HIS  16           HD2      HIS  16  -0.066  -5.487 -22.931
  148    HE1  HIS  16           HE1      HIS  16   1.283  -1.482 -22.557
  149    H    ARG  17           H        ARG  17  -3.676  -6.216 -19.039
  150    HA   ARG  17           HA       ARG  17  -4.738  -7.033 -21.646
  151    HB2  ARG  17           2HB      ARG  17  -4.517  -8.480 -19.006
  152    HB3  ARG  17           3HB      ARG  17  -5.390  -9.128 -20.388
  153    HG2  ARG  17           2HG      ARG  17  -3.406  -9.281 -21.680
  154    HG3  ARG  17           3HG      ARG  17  -2.489  -8.353 -20.492
  155    HD2  ARG  17           2HD      ARG  17  -1.838 -10.387 -19.780
  156    HD3  ARG  17           3HD      ARG  17  -3.392 -10.372 -18.946
  157    HE   ARG  17           HE       ARG  17  -3.892 -11.406 -21.448
  158   HH11  ARG  17          1HH1      ARG  17  -1.887 -12.229 -18.725
  159   HH12  ARG  17          2HH1      ARG  17  -1.938 -13.932 -19.035
  160   HH21  ARG  17          1HH2      ARG  17  -3.967 -13.647 -21.868
  161   HH22  ARG  17          2HH2      ARG  17  -3.121 -14.738 -20.824
  162    H    LEU  18           H        LEU  18  -6.232  -7.793 -18.573
  163    HA   LEU  18           HA       LEU  18  -8.570  -6.177 -19.351
  164    HB2  LEU  18           2HB      LEU  18  -9.969  -7.927 -18.285
  165    HB3  LEU  18           3HB      LEU  18  -9.120  -8.463 -19.734
  166    HG   LEU  18           HG       LEU  18  -7.808  -9.015 -17.136
  167   HD11  LEU  18          1HD1      LEU  18 -10.501  -9.604 -17.371
  168   HD12  LEU  18          2HD1      LEU  18  -9.354 -10.351 -16.259
  169   HD13  LEU  18          3HD1      LEU  18  -9.692 -11.107 -17.816
  170   HD21  LEU  18          3HD2      LEU  18  -7.156  -9.649 -19.611
  171   HD22  LEU  18          1HD2      LEU  18  -8.260 -10.991 -19.313
  172   HD23  LEU  18          2HD2      LEU  18  -6.857 -10.756 -18.271
  173    H    PHE  19           H        PHE  19  -7.514  -4.550 -17.973
  174    HA   PHE  19           HA       PHE  19  -6.910  -4.775 -15.306
  175    HB2  PHE  19           2HB      PHE  19  -6.706  -2.728 -16.824
  176    HB3  PHE  19           3HB      PHE  19  -8.385  -2.392 -16.417
  177    HD1  PHE  19           HD2      PHE  19  -5.608  -3.651 -14.287
  178    HD2  PHE  19           HD1      PHE  19  -8.350  -0.497 -15.095
  179    HE1  PHE  19           HE2      PHE  19  -4.876  -2.496 -12.242
  180    HE2  PHE  19           HE1      PHE  19  -7.622   0.664 -13.052
  181    HZ   PHE  19           HZ       PHE  19  -5.884  -0.336 -11.621
  182    H    ARG  20           H        ARG  20 -10.068  -4.592 -16.809
  183    HA   ARG  20           HA       ARG  20 -11.682  -3.965 -14.662
  184    HB2  ARG  20           2HB      ARG  20 -13.455  -5.245 -15.811
  185    HB3  ARG  20           3HB      ARG  20 -12.568  -4.195 -16.907
  186    HG2  ARG  20           2HG      ARG  20 -11.162  -6.500 -17.148
  187    HG3  ARG  20           3HG      ARG  20 -12.790  -7.115 -16.856
  188    HD2  ARG  20           2HD      ARG  20 -13.659  -5.889 -18.717
  189    HD3  ARG  20           3HD      ARG  20 -12.133  -5.030 -18.928
  190    HE   ARG  20           HE       ARG  20 -11.888  -7.882 -19.164
  191   HH11  ARG  20          1HH1      ARG  20 -12.641  -4.929 -20.847
  192   HH12  ARG  20          2HH1      ARG  20 -12.232  -5.560 -22.408
  193   HH21  ARG  20          1HH2      ARG  20 -11.346  -8.725 -21.213
  194   HH22  ARG  20          2HH2      ARG  20 -11.496  -7.720 -22.615
  195    H    ARG  21           H        ARG  21 -10.186  -7.044 -15.481
  196    HA   ARG  21           HA       ARG  21 -11.151  -8.120 -12.912
  197    HB2  ARG  21           2HB      ARG  21 -11.299  -9.215 -15.580
  198    HB3  ARG  21           3HB      ARG  21 -10.380 -10.282 -14.527
  199    HG2  ARG  21           2HG      ARG  21 -12.300 -11.089 -13.781
  200    HG3  ARG  21           3HG      ARG  21 -12.618  -9.519 -13.040
  201    HD2  ARG  21           2HD      ARG  21 -13.205  -9.796 -15.930
  202    HD3  ARG  21           3HD      ARG  21 -14.267 -10.649 -14.811
  203    HE   ARG  21           HE       ARG  21 -13.855  -7.922 -14.063
  204   HH11  ARG  21          1HH1      ARG  21 -15.672 -10.029 -16.156
  205   HH12  ARG  21          2HH1      ARG  21 -17.011  -8.940 -16.306
  206   HH21  ARG  21          1HH2      ARG  21 -15.612  -6.480 -14.251
  207   HH22  ARG  21          2HH2      ARG  21 -16.976  -6.922 -15.222
  Start of MODEL    3
    1    H1   LYS   1           H        LYS   1   1.626  -1.005   0.681
    2    HA   LYS   1           HA       LYS   1   1.964   0.907  -0.845
    3    HB2  LYS   1           2HB      LYS   1   4.503  -0.638  -1.289
    4    HB3  LYS   1           3HB      LYS   1   3.896   0.468  -2.514
    5    HG2  LYS   1           2HG      LYS   1   3.799   2.116  -0.441
    6    HG3  LYS   1           3HG      LYS   1   5.065   1.035   0.148
    7    HD2  LYS   1           2HD      LYS   1   6.101   1.381  -2.207
    8    HD3  LYS   1           3HD      LYS   1   5.054   2.800  -2.271
    9    HE2  LYS   1           2HE      LYS   1   6.149   3.124   0.169
   10    HE3  LYS   1           3HE      LYS   1   7.465   2.284  -0.650
   11    HZ1  LYS   1           3HZ      LYS   1   7.977   4.390  -1.241
   12    HZ2  LYS   1           1HZ      LYS   1   6.384   4.949  -1.120
   13    HZ3  LYS   1           2HZ      LYS   1   6.874   4.081  -2.487
   14    H    TYR   2           H        TYR   2  -0.030  -0.277  -1.296
   15    HA   TYR   2           HA       TYR   2   0.235  -1.996  -3.676
   16    HB2  TYR   2           2HB      TYR   2  -0.762  -2.869  -1.350
   17    HB3  TYR   2           3HB      TYR   2  -2.228  -2.163  -2.020
   18    HD1  TYR   2           HD1      TYR   2  -1.751  -2.767  -4.925
   19    HD2  TYR   2           HD2      TYR   2  -1.263  -5.166  -1.444
   20    HE1  TYR   2           HE1      TYR   2  -2.110  -4.790  -6.276
   21    HE2  TYR   2           HE2      TYR   2  -1.620  -7.196  -2.787
   22    HH   TYR   2           HH       TYR   2  -2.881  -7.144  -5.896
   23    H    GLU   3           H        GLU   3   0.133   0.801  -3.839
   24    HA   GLU   3           HA       GLU   3  -2.549   1.217  -4.989
   25    HB2  GLU   3           2HB      GLU   3  -2.109   3.677  -4.584
   26    HB3  GLU   3           3HB      GLU   3  -2.383   2.701  -3.148
   27    HG2  GLU   3           2HG      GLU   3   0.094   2.559  -2.870
   28    HG3  GLU   3           3HG      GLU   3   0.247   3.721  -4.186
   29    H    ILE   4           H        ILE   4   0.868   2.168  -5.242
   30    HA   ILE   4           HA       ILE   4   0.482   2.419  -8.153
   31    HB   ILE   4           HB       ILE   4   0.861   4.612  -6.935
   32   HG12  ILE   4          2HG1      ILE   4   2.869   3.765  -9.035
   33   HG13  ILE   4          3HG1      ILE   4   1.239   4.353  -9.343
   34   HG21  ILE   4          1HG2      ILE   4   3.750   3.902  -6.813
   35   HG22  ILE   4          2HG2      ILE   4   2.845   5.110  -5.903
   36   HG23  ILE   4          3HG2      ILE   4   2.693   3.402  -5.493
   37   HD11  ILE   4          3HD1      ILE   4   2.070   6.447  -8.024
   38   HD12  ILE   4          1HD1      ILE   4   3.663   5.843  -8.481
   39   HD13  ILE   4          2HD1      ILE   4   2.477   6.235  -9.727
   40    H    THR   5           H        THR   5   2.101   0.885  -5.632
   41    HA   THR   5           HA       THR   5   4.446   0.212  -7.240
   42    HB   THR   5           HB       THR   5   3.736  -0.326  -4.359
   43    HG1  THR   5           HG1      THR   5   5.608   1.289  -5.736
   44   HG21  THR   5          3HG2      THR   5   6.101  -1.346  -5.935
   45   HG22  THR   5          1HG2      THR   5   4.846  -2.316  -5.165
   46   HG23  THR   5          2HG2      THR   5   5.974  -1.388  -4.177
   47    H    THR   6           H        THR   6   2.466  -1.785  -5.064
   48    HA   THR   6           HA       THR   6   2.884  -4.128  -6.627
   49    HB   THR   6           HB       THR   6   0.843  -3.680  -4.441
   50    HG1  THR   6           HG1      THR   6   3.488  -4.739  -4.287
   51   HG21  THR   6          3HG2      THR   6   2.066  -6.236  -5.487
   52   HG22  THR   6          1HG2      THR   6   0.437  -5.670  -5.850
   53   HG23  THR   6          2HG2      THR   6   0.874  -6.096  -4.196
   54    H    ILE   7           H        ILE   7   0.517  -1.616  -6.639
   55    HA   ILE   7           HA       ILE   7  -1.634  -3.002  -7.826
   56    HB   ILE   7           HB       ILE   7  -0.969  -0.237  -7.248
   57   HG12  ILE   7          2HG1      ILE   7  -2.737  -1.580  -6.149
   58   HG13  ILE   7          3HG1      ILE   7  -3.364  -0.090  -6.845
   59   HG21  ILE   7          1HG2      ILE   7  -0.937   0.072  -9.631
   60   HG22  ILE   7          2HG2      ILE   7  -2.448  -0.819  -9.808
   61   HG23  ILE   7          3HG2      ILE   7  -2.437   0.745  -8.993
   62   HD11  ILE   7          3HD1      ILE   7  -4.537  -2.466  -7.152
   63   HD12  ILE   7          1HD1      ILE   7  -4.640  -1.176  -8.349
   64   HD13  ILE   7          2HD1      ILE   7  -3.476  -2.484  -8.561
   65    H    HIS   8           H        HIS   8   1.301  -1.657  -9.118
   66    HA   HIS   8           HA       HIS   8   0.393  -2.325 -11.840
   67    HB2  HIS   8           2HB      HIS   8   1.706   0.006 -10.797
   68    HB3  HIS   8           3HB      HIS   8   2.753  -0.772 -11.980
   69    HD1  HIS   8           HD1      HIS   8   2.042  -0.677 -14.428
   70    HD2  HIS   8           HD2      HIS   8  -0.734   1.003 -11.834
   71    HE1  HIS   8           HE1      HIS   8   0.398   0.534 -15.896
   72    H    ASN   9           H        ASN   9   2.098  -3.585  -9.398
   73    HA   ASN   9           HA       ASN   9   4.196  -4.715 -11.123
   74    HB2  ASN   9           2HB      ASN   9   5.402  -3.929  -9.343
   75    HB3  ASN   9           3HB      ASN   9   4.051  -4.082  -8.223
   76   HD21  ASN   9          1HD2      ASN   9   4.773  -5.310  -6.629
   77   HD22  ASN   9          2HD2      ASN   9   5.532  -6.852  -6.811
   78    H    LEU  10           H        LEU  10   1.579  -5.509  -8.914
   79    HA   LEU  10           HA       LEU  10   1.898  -8.354  -9.585
   80    HB2  LEU  10           2HB      LEU  10   1.935  -8.012  -7.233
   81    HB3  LEU  10           3HB      LEU  10   0.518  -6.966  -7.301
   82    HG   LEU  10           HG       LEU  10  -0.909  -8.849  -7.774
   83   HD11  LEU  10          1HD1      LEU  10  -0.016 -10.521  -8.948
   84   HD12  LEU  10          2HD1      LEU  10   0.580 -11.127  -7.403
   85   HD13  LEU  10          3HD1      LEU  10   1.622 -10.133  -8.421
   86   HD21  LEU  10          3HD2      LEU  10  -1.042  -9.284  -5.601
   87   HD22  LEU  10          1HD2      LEU  10   0.502  -8.459  -5.388
   88   HD23  LEU  10          2HD2      LEU  10   0.462 -10.204  -5.643
   89    H    PHE  11           H        PHE  11   0.219  -5.709 -10.558
   90    HA   PHE  11           HA       PHE  11  -2.113  -7.325 -11.355
   91    HB2  PHE  11           2HB      PHE  11  -2.114  -4.971  -9.854
   92    HB3  PHE  11           3HB      PHE  11  -2.576  -4.462 -11.475
   93    HD1  PHE  11           HD1      PHE  11  -3.460  -6.675  -8.665
   94    HD2  PHE  11           HD2      PHE  11  -4.701  -4.992 -12.372
   95    HE1  PHE  11           HE1      PHE  11  -5.754  -7.464  -8.251
   96    HE2  PHE  11           HE2      PHE  11  -6.997  -5.777 -11.964
   97    HZ   PHE  11           HZ       PHE  11  -7.526  -7.014  -9.901
   98    H    ARG  12           H        ARG  12   0.642  -5.834 -12.421
   99    HA   ARG  12           HA       ARG  12   0.029  -4.473 -14.723
  100    HB2  ARG  12           2HB      ARG  12   2.220  -5.489 -15.615
  101    HB3  ARG  12           3HB      ARG  12   2.294  -4.525 -14.146
  102    HG2  ARG  12           2HG      ARG  12   2.867  -6.285 -12.855
  103    HG3  ARG  12           3HG      ARG  12   1.888  -7.423 -13.782
  104    HD2  ARG  12           2HD      ARG  12   4.267  -7.905 -14.026
  105    HD3  ARG  12           3HD      ARG  12   3.555  -7.418 -15.563
  106    HE   ARG  12           HE       ARG  12   4.891  -5.552 -15.559
  107   HH11  ARG  12          1HH1      ARG  12   4.947  -7.027 -12.407
  108   HH12  ARG  12          2HH1      ARG  12   6.234  -6.027 -11.818
  109   HH21  ARG  12          1HH2      ARG  12   6.585  -4.229 -14.796
  110   HH22  ARG  12          2HH2      ARG  12   7.164  -4.435 -13.178
  111    H    LYS  13           H        LYS  13   0.032  -7.946 -14.187
  112    HA   LYS  13           HA       LYS  13  -0.211  -8.755 -16.874
  113    HB2  LYS  13           2HB      LYS  13   0.396 -10.292 -15.051
  114    HB3  LYS  13           3HB      LYS  13  -1.218 -10.126 -14.373
  115    HG2  LYS  13           2HG      LYS  13  -2.138 -11.085 -16.468
  116    HG3  LYS  13           3HG      LYS  13  -0.483 -11.363 -17.017
  117    HD2  LYS  13           2HD      LYS  13  -1.154 -12.391 -14.331
  118    HD3  LYS  13           3HD      LYS  13  -1.943 -13.196 -15.690
  119    HE2  LYS  13           2HE      LYS  13   0.031 -13.989 -16.541
  120    HE3  LYS  13           3HE      LYS  13   0.981 -12.671 -15.858
  121    HZ1  LYS  13           3HZ      LYS  13   0.982 -15.130 -14.868
  122    HZ2  LYS  13           1HZ      LYS  13  -0.274 -14.466 -13.948
  123    HZ3  LYS  13           2HZ      LYS  13   1.261 -13.756 -13.920
  124    H    LEU  14           H        LEU  14  -2.623  -7.944 -14.417
  125    HA   LEU  14           HA       LEU  14  -4.846  -8.556 -16.130
  126    HB2  LEU  14           2HB      LEU  14  -4.610  -7.169 -13.472
  127    HB3  LEU  14           3HB      LEU  14  -6.147  -7.367 -14.312
  128    HG   LEU  14           HG       LEU  14  -4.374  -9.579 -13.279
  129   HD11  LEU  14          1HD1      LEU  14  -6.908  -8.314 -12.310
  130   HD12  LEU  14          2HD1      LEU  14  -5.437  -8.694 -11.415
  131   HD13  LEU  14          3HD1      LEU  14  -6.523  -9.990 -11.917
  132   HD21  LEU  14          3HD2      LEU  14  -7.011  -9.686 -14.738
  133   HD22  LEU  14          1HD2      LEU  14  -6.236 -11.056 -13.943
  134   HD23  LEU  14          2HD2      LEU  14  -5.456 -10.279 -15.322
  135    H    THR  15           H        THR  15  -3.355  -5.569 -14.909
  136    HA   THR  15           HA       THR  15  -5.024  -3.696 -16.043
  137    HB   THR  15           HB       THR  15  -3.230  -2.112 -15.921
  138    HG1  THR  15           HG1      THR  15  -1.381  -2.826 -16.676
  139   HG21  THR  15          3HG2      THR  15  -2.108  -3.348 -13.677
  140   HG22  THR  15          1HG2      THR  15  -3.746  -3.990 -13.792
  141   HG23  THR  15          2HG2      THR  15  -3.485  -2.247 -13.709
  142    H    HIS  16           H        HIS  16  -2.430  -5.529 -17.561
  143    HA   HIS  16           HA       HIS  16  -2.718  -4.105 -20.071
  144    HB2  HIS  16           2HB      HIS  16  -0.556  -5.189 -18.999
  145    HB3  HIS  16           3HB      HIS  16  -1.136  -6.629 -19.832
  146    HD1  HIS  16           HD1      HIS  16   1.416  -5.821 -20.902
  147    HD2  HIS  16           HD2      HIS  16  -2.070  -3.956 -22.176
  148    HE1  HIS  16           HE1      HIS  16   1.979  -4.794 -23.127
  149    H    ARG  17           H        ARG  17  -3.844  -7.027 -18.581
  150    HA   ARG  17           HA       ARG  17  -4.922  -7.989 -21.135
  151    HB2  ARG  17           2HB      ARG  17  -4.585  -9.326 -18.449
  152    HB3  ARG  17           3HB      ARG  17  -5.470 -10.056 -19.781
  153    HG2  ARG  17           2HG      ARG  17  -3.492 -10.118 -21.139
  154    HG3  ARG  17           3HG      ARG  17  -2.584  -9.217 -19.923
  155    HD2  ARG  17           2HD      ARG  17  -1.993 -11.151 -19.004
  156    HD3  ARG  17           3HD      ARG  17  -3.685 -11.427 -18.591
  157    HE   ARG  17           HE       ARG  17  -3.812 -12.968 -20.281
  158   HH11  ARG  17          1HH1      ARG  17  -0.929 -11.058 -20.684
  159   HH12  ARG  17          2HH1      ARG  17  -0.295 -12.046 -21.958
  160   HH21  ARG  17          1HH2      ARG  17  -2.988 -14.276 -21.958
  161   HH22  ARG  17          2HH2      ARG  17  -1.468 -13.876 -22.683
  162    H    LEU  18           H        LEU  18  -6.312  -8.672 -17.993
  163    HA   LEU  18           HA       LEU  18  -8.728  -7.181 -18.781
  164    HB2  LEU  18           2HB      LEU  18 -10.033  -8.930 -17.602
  165    HB3  LEU  18           3HB      LEU  18  -9.196  -9.504 -19.042
  166    HG   LEU  18           HG       LEU  18  -7.635  -9.906 -16.623
  167   HD11  LEU  18          1HD1      LEU  18  -9.947 -10.094 -15.699
  168   HD12  LEU  18          2HD1      LEU  18  -8.990 -11.570 -15.584
  169   HD13  LEU  18          3HD1      LEU  18 -10.230 -11.419 -16.828
  170   HD21  LEU  18          3HD2      LEU  18  -7.237 -10.916 -18.862
  171   HD22  LEU  18          1HD2      LEU  18  -8.711 -11.860 -18.649
  172   HD23  LEU  18          2HD2      LEU  18  -7.348 -12.096 -17.555
  173    H    PHE  19           H        PHE  19  -7.717  -5.449 -17.510
  174    HA   PHE  19           HA       PHE  19  -7.032  -5.523 -14.853
  175    HB2  PHE  19           2HB      PHE  19  -6.948  -3.544 -16.464
  176    HB3  PHE  19           3HB      PHE  19  -8.633  -3.259 -16.039
  177    HD1  PHE  19           HD1      PHE  19  -5.766  -4.298 -13.909
  178    HD2  PHE  19           HD2      PHE  19  -8.653  -1.303 -14.809
  179    HE1  PHE  19           HE1      PHE  19  -5.046  -3.016 -11.936
  180    HE2  PHE  19           HE2      PHE  19  -7.938  -0.016 -12.838
  181    HZ   PHE  19           HZ       PHE  19  -6.131  -0.872 -11.399
  182    H    ARG  20           H        ARG  20 -10.226  -4.372 -15.941
  183    HA   ARG  20           HA       ARG  20 -11.349  -5.056 -13.351
  184    HB2  ARG  20           2HB      ARG  20 -12.004  -2.928 -14.236
  185    HB3  ARG  20           3HB      ARG  20 -12.479  -3.648 -15.768
  186    HG2  ARG  20           2HG      ARG  20 -13.936  -4.894 -13.651
  187    HG3  ARG  20           3HG      ARG  20 -14.081  -3.141 -13.517
  188    HD2  ARG  20           2HD      ARG  20 -15.293  -2.969 -15.407
  189    HD3  ARG  20           3HD      ARG  20 -14.355  -4.208 -16.240
  190    HE   ARG  20           HE       ARG  20 -15.938  -5.737 -15.641
  191   HH11  ARG  20          1HH1      ARG  20 -16.239  -2.950 -13.577
  192   HH12  ARG  20          2HH1      ARG  20 -17.682  -3.516 -12.804
  193   HH21  ARG  20          1HH2      ARG  20 -17.839  -6.493 -14.631
  194   HH22  ARG  20          2HH2      ARG  20 -18.591  -5.531 -13.404
  195    H    ARG  21           H        ARG  21 -12.718  -5.480 -16.607
  196    HA   ARG  21           HA       ARG  21 -14.312  -7.675 -15.911
  197    HB2  ARG  21           2HB      ARG  21 -14.538  -8.031 -18.356
  198    HB3  ARG  21           3HB      ARG  21 -14.803  -6.360 -17.876
  199    HG2  ARG  21           2HG      ARG  21 -13.403  -5.852 -19.532
  200    HG3  ARG  21           3HG      ARG  21 -12.128  -6.381 -18.433
  201    HD2  ARG  21           2HD      ARG  21 -11.578  -7.956 -19.898
  202    HD3  ARG  21           3HD      ARG  21 -13.150  -8.707 -19.628
  203    HE   ARG  21           HE       ARG  21 -13.788  -7.977 -21.691
  204   HH11  ARG  21          1HH1      ARG  21 -11.075  -6.071 -20.628
  205   HH12  ARG  21          2HH1      ARG  21 -10.923  -5.215 -22.127
  206   HH21  ARG  21          1HH2      ARG  21 -13.597  -6.857 -23.669
  207   HH22  ARG  21          2HH2      ARG  21 -12.358  -5.662 -23.855
  Start of MODEL    4
    1    H1   LYS   1           H        LYS   1   1.608   0.682   0.803
    2    HA   LYS   1           HA       LYS   1   2.159   1.042  -1.575
    3    HB2  LYS   1           2HB      LYS   1   3.715  -0.368   0.288
    4    HB3  LYS   1           3HB      LYS   1   3.853  -1.272  -1.214
    5    HG2  LYS   1           2HG      LYS   1   4.522   0.808  -2.364
    6    HG3  LYS   1           3HG      LYS   1   4.472   1.648  -0.812
    7    HD2  LYS   1           2HD      LYS   1   6.098  -0.198  -0.022
    8    HD3  LYS   1           3HD      LYS   1   6.354  -0.493  -1.744
    9    HE2  LYS   1           2HE      LYS   1   7.790   1.199  -1.808
   10    HE3  LYS   1           3HE      LYS   1   6.501   2.302  -1.330
   11    HZ1  LYS   1           3HZ      LYS   1   7.797   0.725   0.765
   12    HZ2  LYS   1           1HZ      LYS   1   7.162   2.292   0.829
   13    HZ3  LYS   1           2HZ      LYS   1   8.665   2.018   0.104
   14    H    TYR   2           H        TYR   2  -0.222  -0.703  -1.423
   15    HA   TYR   2           HA       TYR   2   0.415  -2.486  -3.682
   16    HB2  TYR   2           2HB      TYR   2  -0.483  -3.321  -1.250
   17    HB3  TYR   2           3HB      TYR   2  -2.003  -3.107  -2.111
   18    HD1  TYR   2           HD1      TYR   2  -1.472  -3.960  -4.798
   19    HD2  TYR   2           HD2      TYR   2   0.015  -5.573  -1.152
   20    HE1  TYR   2           HE1      TYR   2  -1.161  -6.139  -5.895
   21    HE2  TYR   2           HE2      TYR   2   0.331  -7.756  -2.240
   22    HH   TYR   2           HH       TYR   2   0.445  -8.802  -4.271
   23    H    GLU   3           H        GLU   3  -0.340   0.281  -3.859
   24    HA   GLU   3           HA       GLU   3  -2.972   0.007  -5.158
   25    HB2  GLU   3           2HB      GLU   3  -3.187   2.501  -4.750
   26    HB3  GLU   3           3HB      GLU   3  -3.302   1.472  -3.330
   27    HG2  GLU   3           2HG      GLU   3  -0.907   1.951  -2.865
   28    HG3  GLU   3           3HG      GLU   3  -0.929   3.102  -4.200
   29    H    ILE   4           H        ILE   4   0.110   1.774  -5.232
   30    HA   ILE   4           HA       ILE   4  -0.174   1.955  -8.160
   31    HB   ILE   4           HB       ILE   4  -0.410   4.162  -6.923
   32   HG12  ILE   4          2HG1      ILE   4   1.838   3.860  -8.927
   33   HG13  ILE   4          3HG1      ILE   4   0.128   4.028  -9.311
   34   HG21  ILE   4          1HG2      ILE   4   2.493   4.441  -6.704
   35   HG22  ILE   4          2HG2      ILE   4   1.214   4.978  -5.615
   36   HG23  ILE   4          3HG2      ILE   4   1.788   3.312  -5.547
   37   HD11  ILE   4          3HD1      ILE   4   1.075   6.141  -9.664
   38   HD12  ILE   4          1HD1      ILE   4   0.231   6.259  -8.120
   39   HD13  ILE   4          2HD1      ILE   4   1.985   6.077  -8.155
   40    H    THR   5           H        THR   5   1.595   0.754  -5.595
   41    HA   THR   5           HA       THR   5   4.128   0.717  -7.067
   42    HB   THR   5           HB       THR   5   3.415   0.094  -4.212
   43    HG1  THR   5           HG1      THR   5   3.987   2.275  -4.993
   44   HG21  THR   5          3HG2      THR   5   5.877  -0.699  -5.740
   45   HG22  THR   5          1HG2      THR   5   4.881  -1.681  -4.667
   46   HG23  THR   5          2HG2      THR   5   5.921  -0.422  -4.000
   47    H    THR   6           H        THR   6   2.529  -1.693  -4.991
   48    HA   THR   6           HA       THR   6   3.589  -3.865  -6.518
   49    HB   THR   6           HB       THR   6   1.383  -4.022  -4.462
   50    HG1  THR   6           HG1      THR   6   4.204  -3.869  -4.152
   51   HG21  THR   6          3HG2      THR   6   3.502  -6.052  -5.141
   52   HG22  THR   6          1HG2      THR   6   1.921  -6.024  -5.920
   53   HG23  THR   6          2HG2      THR   6   2.043  -6.284  -4.180
   54    H    ILE   7           H        ILE   7   0.649  -2.033  -6.561
   55    HA   ILE   7           HA       ILE   7  -1.021  -3.903  -7.860
   56    HB   ILE   7           HB       ILE   7  -1.142  -1.081  -7.178
   57   HG12  ILE   7          2HG1      ILE   7  -2.481  -2.959  -6.195
   58   HG13  ILE   7          3HG1      ILE   7  -3.452  -1.600  -6.752
   59   HG21  ILE   7          1HG2      ILE   7  -1.163  -0.702  -9.552
   60   HG22  ILE   7          2HG2      ILE   7  -2.376  -1.961  -9.782
   61   HG23  ILE   7          3HG2      ILE   7  -2.796  -0.479  -8.925
   62   HD11  ILE   7          3HD1      ILE   7  -3.020  -4.173  -8.251
   63   HD12  ILE   7          1HD1      ILE   7  -4.460  -3.743  -7.328
   64   HD13  ILE   7          2HD1      ILE   7  -4.027  -2.822  -8.769
   65    H    HIS   8           H        HIS   8   1.501  -1.813  -8.995
   66    HA   HIS   8           HA       HIS   8   0.726  -2.093 -11.781
   67    HB2  HIS   8           2HB      HIS   8   2.389  -0.304 -10.270
   68    HB3  HIS   8           3HB      HIS   8   3.327  -0.998 -11.589
   69    HD1  HIS   8           HD1      HIS   8   1.037   1.679 -10.865
   70    HD2  HIS   8           HD2      HIS   8   1.918  -0.650 -14.190
   71    HE1  HIS   8           HE1      HIS   8   0.125   2.949 -12.835
   72    H    ASN   9           H        ASN   9   2.091  -4.113  -9.652
   73    HA   ASN   9           HA       ASN   9   3.854  -5.326 -11.679
   74    HB2  ASN   9           2HB      ASN   9   4.181  -5.862  -8.744
   75    HB3  ASN   9           3HB      ASN   9   5.366  -6.009 -10.038
   76   HD21  ASN   9          1HD2      ASN   9   5.389  -4.562  -7.444
   77   HD22  ASN   9          2HD2      ASN   9   5.800  -2.932  -7.845
   78    H    LEU  10           H        LEU  10   1.341  -5.799  -9.307
   79    HA   LEU  10           HA       LEU  10   1.191  -8.652  -9.983
   80    HB2  LEU  10           2HB      LEU  10   1.294  -8.117  -7.608
   81    HB3  LEU  10           3HB      LEU  10  -0.128  -7.088  -7.767
   82    HG   LEU  10           HG       LEU  10  -0.810  -9.687  -8.699
   83   HD11  LEU  10          1HD1      LEU  10   0.910  -9.630  -6.282
   84   HD12  LEU  10          2HD1      LEU  10   0.719 -10.881  -7.510
   85   HD13  LEU  10          3HD1      LEU  10  -0.511 -10.676  -6.263
   86   HD21  LEU  10          3HD2      LEU  10  -1.874  -9.108  -6.115
   87   HD22  LEU  10          1HD2      LEU  10  -2.672  -9.037  -7.687
   88   HD23  LEU  10          2HD2      LEU  10  -1.823  -7.622  -7.065
   89    H    PHE  11           H        PHE  11  -0.148  -5.725 -10.841
   90    HA   PHE  11           HA       PHE  11  -2.609  -7.040 -11.788
   91    HB2  PHE  11           2HB      PHE  11  -2.488  -4.909 -10.041
   92    HB3  PHE  11           3HB      PHE  11  -2.743  -4.123 -11.596
   93    HD1  PHE  11           HD1      PHE  11  -4.764  -4.580 -12.902
   94    HD2  PHE  11           HD2      PHE  11  -4.194  -6.227  -9.019
   95    HE1  PHE  11           HE1      PHE  11  -7.164  -5.106 -12.776
   96    HE2  PHE  11           HE2      PHE  11  -6.593  -6.756  -8.887
   97    HZ   PHE  11           HZ       PHE  11  -8.081  -6.196 -10.767
   98    H    ARG  12           H        ARG  12   0.284  -5.705 -12.684
   99    HA   ARG  12           HA       ARG  12  -0.189  -4.097 -14.866
  100    HB2  ARG  12           2HB      ARG  12   1.954  -5.172 -15.802
  101    HB3  ARG  12           3HB      ARG  12   2.054  -4.347 -14.252
  102    HG2  ARG  12           2HG      ARG  12   2.710  -6.195 -13.215
  103    HG3  ARG  12           3HG      ARG  12   1.401  -7.143 -13.924
  104    HD2  ARG  12           2HD      ARG  12   2.715  -7.969 -15.550
  105    HD3  ARG  12           3HD      ARG  12   3.545  -6.432 -15.793
  106    HE   ARG  12           HE       ARG  12   4.427  -8.624 -14.192
  107   HH11  ARG  12          1HH1      ARG  12   4.503  -5.157 -14.496
  108   HH12  ARG  12          2HH1      ARG  12   5.998  -4.984 -13.637
  109   HH21  ARG  12          1HH2      ARG  12   6.396  -8.410 -13.060
  110   HH22  ARG  12          2HH2      ARG  12   7.074  -6.835 -12.822
  111    H    LYS  13           H        LYS  13  -0.328  -7.615 -14.663
  112    HA   LYS  13           HA       LYS  13  -0.549  -8.218 -17.375
  113    HB2  LYS  13           2HB      LYS  13  -1.745 -10.277 -16.602
  114    HB3  LYS  13           3HB      LYS  13  -0.214  -9.982 -15.789
  115    HG2  LYS  13           2HG      LYS  13  -1.514  -8.949 -13.913
  116    HG3  LYS  13           3HG      LYS  13  -2.982  -9.520 -14.709
  117    HD2  LYS  13           2HD      LYS  13  -0.895 -11.558 -14.368
  118    HD3  LYS  13           3HD      LYS  13  -1.570 -10.932 -12.862
  119    HE2  LYS  13           2HE      LYS  13  -3.613 -11.486 -14.853
  120    HE3  LYS  13           3HE      LYS  13  -2.657 -12.914 -14.457
  121    HZ1  LYS  13           3HZ      LYS  13  -3.155 -12.577 -12.129
  122    HZ2  LYS  13           1HZ      LYS  13  -4.593 -12.676 -13.014
  123    HZ3  LYS  13           2HZ      LYS  13  -4.031 -11.173 -12.481
  124    H    LEU  14           H        LEU  14  -3.098  -7.486 -15.010
  125    HA   LEU  14           HA       LEU  14  -5.210  -7.695 -16.922
  126    HB2  LEU  14           2HB      LEU  14  -5.234  -6.306 -14.249
  127    HB3  LEU  14           3HB      LEU  14  -6.636  -6.838 -15.175
  128    HG   LEU  14           HG       LEU  14  -4.614  -8.566 -13.757
  129   HD11  LEU  14          1HD1      LEU  14  -7.397  -7.689 -13.240
  130   HD12  LEU  14          2HD1      LEU  14  -6.080  -8.015 -12.113
  131   HD13  LEU  14          3HD1      LEU  14  -6.977  -9.353 -12.832
  132   HD21  LEU  14          3HD2      LEU  14  -5.213  -9.562 -15.914
  133   HD22  LEU  14          1HD2      LEU  14  -6.923  -9.409 -15.507
  134   HD23  LEU  14          2HD2      LEU  14  -5.884 -10.479 -14.564
  135    H    THR  15           H        THR  15  -3.526  -4.976 -15.380
  136    HA   THR  15           HA       THR  15  -4.925  -2.845 -16.378
  137    HB   THR  15           HB       THR  15  -2.943  -1.501 -16.157
  138    HG1  THR  15           HG1      THR  15  -1.110  -2.331 -16.786
  139   HG21  THR  15          3HG2      THR  15  -2.015  -2.938 -13.975
  140   HG22  THR  15          1HG2      THR  15  -3.685  -3.473 -14.158
  141   HG23  THR  15          2HG2      THR  15  -3.325  -1.757 -13.969
  142    H    HIS  16           H        HIS  16  -2.575  -4.856 -18.054
  143    HA   HIS  16           HA       HIS  16  -2.763  -3.216 -20.457
  144    HB2  HIS  16           2HB      HIS  16  -0.907  -5.240 -19.423
  145    HB3  HIS  16           3HB      HIS  16  -1.244  -5.400 -21.144
  146    HD1  HIS  16           HD1      HIS  16  -1.271  -2.597 -22.143
  147    HD2  HIS  16           HD2      HIS  16   1.418  -3.884 -19.248
  148    HE1  HIS  16           HE1      HIS  16   0.655  -0.983 -22.248
  149    H    ARG  17           H        ARG  17  -3.989  -6.175 -19.139
  150    HA   ARG  17           HA       ARG  17  -5.097  -6.952 -21.743
  151    HB2  ARG  17           2HB      ARG  17  -4.800  -8.455 -19.142
  152    HB3  ARG  17           3HB      ARG  17  -5.714  -9.075 -20.510
  153    HG2  ARG  17           2HG      ARG  17  -3.748  -9.136 -21.877
  154    HG3  ARG  17           3HG      ARG  17  -2.804  -8.322 -20.627
  155    HD2  ARG  17           2HD      ARG  17  -2.745 -10.193 -19.270
  156    HD3  ARG  17           3HD      ARG  17  -4.185 -10.896 -20.005
  157    HE   ARG  17           HE       ARG  17  -2.319 -10.858 -22.006
  158   HH11  ARG  17          1HH1      ARG  17  -2.497 -12.199 -18.799
  159   HH12  ARG  17          2HH1      ARG  17  -1.464 -13.542 -19.162
  160   HH21  ARG  17          1HH2      ARG  17  -0.957 -12.621 -22.497
  161   HH22  ARG  17          2HH2      ARG  17  -0.588 -13.780 -21.265
  162    H    LEU  18           H        LEU  18  -6.490  -7.737 -18.619
  163    HA   LEU  18           HA       LEU  18  -8.867  -6.148 -19.328
  164    HB2  LEU  18           2HB      LEU  18 -10.214  -7.907 -18.208
  165    HB3  LEU  18           3HB      LEU  18  -9.409  -8.440 -19.682
  166    HG   LEU  18           HG       LEU  18  -8.007  -8.969 -17.127
  167   HD11  LEU  18          1HD1      LEU  18 -10.551  -9.473 -16.893
  168   HD12  LEU  18          2HD1      LEU  18  -9.364 -10.673 -16.385
  169   HD13  LEU  18          3HD1      LEU  18 -10.181 -10.846 -17.938
  170   HD21  LEU  18          3HD2      LEU  18  -7.689 -11.173 -18.379
  171   HD22  LEU  18          1HD2      LEU  18  -6.912  -9.738 -19.050
  172   HD23  LEU  18          2HD2      LEU  18  -8.404 -10.348 -19.765
  173    H    PHE  19           H        PHE  19  -7.789  -4.503 -17.993
  174    HA   PHE  19           HA       PHE  19  -7.134  -4.752 -15.320
  175    HB2  PHE  19           2HB      PHE  19  -6.842  -2.728 -16.853
  176    HB3  PHE  19           3HB      PHE  19  -8.504  -2.313 -16.446
  177    HD1  PHE  19           HD1      PHE  19  -5.739  -3.654 -14.344
  178    HD2  PHE  19           HD2      PHE  19  -8.424  -0.440 -15.106
  179    HE1  PHE  19           HE1      PHE  19  -4.952  -2.518 -12.308
  180    HE2  PHE  19           HE2      PHE  19  -7.640   0.702 -13.072
  181    HZ   PHE  19           HZ       PHE  19  -5.902  -0.336 -11.671
  182    H    ARG  20           H        ARG  20 -10.265  -4.633 -16.817
  183    HA   ARG  20           HA       ARG  20 -11.907  -3.817 -14.763
  184    HB2  ARG  20           2HB      ARG  20 -12.267  -5.808 -16.977
  185    HB3  ARG  20           3HB      ARG  20 -13.540  -5.575 -15.786
  186    HG2  ARG  20           2HG      ARG  20 -14.241  -3.736 -16.801
  187    HG3  ARG  20           3HG      ARG  20 -12.619  -3.040 -16.777
  188    HD2  ARG  20           2HD      ARG  20 -12.200  -4.698 -18.754
  189    HD3  ARG  20           3HD      ARG  20 -13.957  -4.672 -18.889
  190    HE   ARG  20           HE       ARG  20 -13.157  -2.034 -18.779
  191   HH11  ARG  20          1HH1      ARG  20 -12.611  -4.778 -20.852
  192   HH12  ARG  20          2HH1      ARG  20 -12.385  -3.821 -22.278
  193   HH21  ARG  20          1HH2      ARG  20 -12.861  -0.763 -20.650
  194   HH22  ARG  20          2HH2      ARG  20 -12.526  -1.537 -22.162
  195    H    ARG  21           H        ARG  21 -10.210  -6.845 -15.140
  196    HA   ARG  21           HA       ARG  21 -11.639  -8.270 -13.127
  197    HB2  ARG  21           2HB      ARG  21  -9.573  -8.824 -15.001
  198    HB3  ARG  21           3HB      ARG  21  -8.982  -9.278 -13.408
  199    HG2  ARG  21           2HG      ARG  21 -10.070 -11.140 -14.573
  200    HG3  ARG  21           3HG      ARG  21 -10.891 -10.719 -13.069
  201    HD2  ARG  21           2HD      ARG  21 -12.776 -10.131 -14.129
  202    HD3  ARG  21           3HD      ARG  21 -11.902  -9.284 -15.405
  203    HE   ARG  21           HE       ARG  21 -11.479 -11.901 -15.974
  204   HH11  ARG  21          1HH1      ARG  21 -14.330  -9.990 -15.389
  205   HH12  ARG  21          2HH1      ARG  21 -15.343 -10.949 -16.416
  206   HH21  ARG  21          1HH2      ARG  21 -12.803 -13.171 -17.330
  207   HH22  ARG  21          2HH2      ARG  21 -14.473 -12.759 -17.519
  Start of MODEL    5
    1    H1   LYS   1           H        LYS   1   1.528  -0.144   0.802
    2    HA   LYS   1           HA       LYS   1   2.089   1.108  -1.079
    3    HB2  LYS   1           2HB      LYS   1   4.401  -0.826  -1.322
    4    HB3  LYS   1           3HB      LYS   1   4.097   0.513  -2.422
    5    HG2  LYS   1           2HG      LYS   1   4.145   1.416   0.316
    6    HG3  LYS   1           3HG      LYS   1   5.628   0.555  -0.104
    7    HD2  LYS   1           2HD      LYS   1   5.455   2.050  -2.279
    8    HD3  LYS   1           3HD      LYS   1   4.517   3.088  -1.203
    9    HE2  LYS   1           2HE      LYS   1   6.627   3.914  -0.852
   10    HE3  LYS   1           3HE      LYS   1   6.541   2.696   0.421
   11    HZ1  LYS   1           3HZ      LYS   1   8.528   2.159  -0.509
   12    HZ2  LYS   1           1HZ      LYS   1   8.097   2.690  -2.056
   13    HZ3  LYS   1           2HZ      LYS   1   7.529   1.203  -1.484
   14    H    TYR   2           H        TYR   2  -0.001  -0.274  -1.277
   15    HA   TYR   2           HA       TYR   2   0.276  -1.996  -3.653
   16    HB2  TYR   2           2HB      TYR   2  -0.593  -2.902  -1.287
   17    HB3  TYR   2           3HB      TYR   2  -2.117  -2.283  -1.912
   18    HD1  TYR   2           HD1      TYR   2  -1.708  -2.885  -4.826
   19    HD2  TYR   2           HD2      TYR   2  -0.968  -5.223  -1.349
   20    HE1  TYR   2           HE1      TYR   2  -2.003  -4.937  -6.150
   21    HE2  TYR   2           HE2      TYR   2  -1.259  -7.281  -2.664
   22    HH   TYR   2           HH       TYR   2  -1.727  -7.178  -6.159
   23    H    GLU   3           H        GLU   3   0.016   0.790  -3.829
   24    HA   GLU   3           HA       GLU   3  -2.721   1.049  -4.890
   25    HB2  GLU   3           2HB      GLU   3  -2.407   3.532  -4.514
   26    HB3  GLU   3           3HB      GLU   3  -2.576   2.553  -3.063
   27    HG2  GLU   3           2HG      GLU   3  -0.082   2.550  -2.880
   28    HG3  GLU   3           3HG      GLU   3  -0.049   3.721  -4.197
   29    H    ILE   4           H        ILE   4   0.627   2.185  -5.262
   30    HA   ILE   4           HA       ILE   4   0.133   2.392  -8.160
   31    HB   ILE   4           HB       ILE   4   0.430   4.612  -6.968
   32   HG12  ILE   4          2HG1      ILE   4   2.410   3.861  -9.130
   33   HG13  ILE   4          3HG1      ILE   4   0.741   4.357  -9.386
   34   HG21  ILE   4          1HG2      ILE   4   2.540   3.356  -5.758
   35   HG22  ILE   4          2HG2      ILE   4   3.337   4.349  -6.977
   36   HG23  ILE   4          3HG2      ILE   4   2.269   5.098  -5.790
   37   HD11  ILE   4          3HD1      ILE   4   2.012   6.251  -9.857
   38   HD12  ILE   4          1HD1      ILE   4   1.394   6.530  -8.229
   39   HD13  ILE   4          2HD1      ILE   4   3.062   6.006  -8.462
   40    H    THR   5           H        THR   5   1.916   0.970  -5.686
   41    HA   THR   5           HA       THR   5   4.242   0.416  -7.366
   42    HB   THR   5           HB       THR   5   3.654  -0.142  -4.461
   43    HG1  THR   5           HG1      THR   5   5.332   1.597  -5.914
   44   HG21  THR   5          3HG2      THR   5   6.019  -1.044  -6.107
   45   HG22  THR   5          1HG2      THR   5   4.844  -2.074  -5.291
   46   HG23  THR   5          2HG2      THR   5   5.952  -1.080  -4.345
   47    H    THR   6           H        THR   6   2.443  -1.673  -5.119
   48    HA   THR   6           HA       THR   6   2.941  -4.000  -6.683
   49    HB   THR   6           HB       THR   6   0.947  -3.649  -4.437
   50    HG1  THR   6           HG1      THR   6   2.590  -4.038  -3.085
   51   HG21  THR   6          3HG2      THR   6   2.269  -6.142  -5.514
   52   HG22  THR   6          1HG2      THR   6   0.599  -5.664  -5.821
   53   HG23  THR   6          2HG2      THR   6   1.117  -6.059  -4.182
   54    H    ILE   7           H        ILE   7   0.442  -1.621  -6.638
   55    HA   ILE   7           HA       ILE   7  -1.665  -3.130  -7.750
   56    HB   ILE   7           HB       ILE   7  -1.130  -0.324  -7.219
   57   HG12  ILE   7          2HG1      ILE   7  -2.773  -1.748  -6.032
   58   HG13  ILE   7          3HG1      ILE   7  -3.512  -0.306  -6.720
   59   HG21  ILE   7          1HG2      ILE   7  -1.212  -0.040  -9.601
   60   HG22  ILE   7          2HG2      ILE   7  -2.670  -1.024  -9.712
   61   HG23  ILE   7          3HG2      ILE   7  -2.726   0.547  -8.913
   62   HD11  ILE   7          3HD1      ILE   7  -3.554  -2.727  -8.402
   63   HD12  ILE   7          1HD1      ILE   7  -4.557  -2.751  -6.952
   64   HD13  ILE   7          2HD1      ILE   7  -4.782  -1.485  -8.159
   65    H    HIS   8           H        HIS   8   1.151  -1.634  -9.139
   66    HA   HIS   8           HA       HIS   8   0.200  -2.370 -11.828
   67    HB2  HIS   8           2HB      HIS   8   1.416   0.036 -10.837
   68    HB3  HIS   8           3HB      HIS   8   2.467  -0.693 -12.048
   69    HD1  HIS   8           HD1      HIS   8   1.913  -0.155 -14.401
   70    HD2  HIS   8           HD2      HIS   8  -1.341   0.392 -11.877
   71    HE1  HIS   8           HE1      HIS   8   0.102   0.828 -15.843
   72    H    ASN   9           H        ASN   9   2.040  -3.523  -9.433
   73    HA   ASN   9           HA       ASN   9   4.144  -4.549 -11.216
   74    HB2  ASN   9           2HB      ASN   9   5.361  -3.688  -9.480
   75    HB3  ASN   9           3HB      ASN   9   4.055  -3.901  -8.317
   76   HD21  ASN   9          1HD2      ASN   9   4.885  -5.078  -6.737
   77   HD22  ASN   9          2HD2      ASN   9   5.719  -6.579  -6.931
   78    H    LEU  10           H        LEU  10   1.642  -5.466  -8.922
   79    HA   LEU  10           HA       LEU  10   2.092  -8.294  -9.589
   80    HB2  LEU  10           2HB      LEU  10   2.189  -7.942  -7.242
   81    HB3  LEU  10           3HB      LEU  10   0.722  -6.966  -7.264
   82    HG   LEU  10           HG       LEU  10  -0.627  -8.919  -7.686
   83   HD11  LEU  10          1HD1      LEU  10   1.004 -11.112  -7.338
   84   HD12  LEU  10          2HD1      LEU  10   1.934 -10.076  -8.420
   85   HD13  LEU  10          3HD1      LEU  10   0.299 -10.569  -8.861
   86   HD21  LEU  10          3HD2      LEU  10   0.887 -10.177  -5.586
   87   HD22  LEU  10          1HD2      LEU  10  -0.674  -9.360  -5.510
   88   HD23  LEU  10          2HD2      LEU  10   0.815  -8.430  -5.345
   89    H    PHE  11           H        PHE  11   0.241  -5.749 -10.514
   90    HA   PHE  11           HA       PHE  11  -2.023  -7.494 -11.230
   91    HB2  PHE  11           2HB      PHE  11  -2.110  -5.146  -9.727
   92    HB3  PHE  11           3HB      PHE  11  -2.644  -4.658 -11.332
   93    HD1  PHE  11           HD2      PHE  11  -3.333  -6.911  -8.500
   94    HD2  PHE  11           HD1      PHE  11  -4.759  -5.309 -12.177
   95    HE1  PHE  11           HE2      PHE  11  -5.569  -7.821  -8.026
   96    HE2  PHE  11           HE1      PHE  11  -6.997  -6.216 -11.708
   97    HZ   PHE  11           HZ       PHE  11  -7.405  -7.475  -9.631
   98    H    ARG  12           H        ARG  12   0.609  -5.865 -12.390
   99    HA   ARG  12           HA       ARG  12  -0.150  -4.538 -14.668
  100    HB2  ARG  12           2HB      ARG  12   2.056  -5.447 -15.637
  101    HB3  ARG  12           3HB      ARG  12   2.134  -4.478 -14.172
  102    HG2  ARG  12           2HG      ARG  12   2.653  -6.288 -12.841
  103    HG3  ARG  12           3HG      ARG  12   1.968  -7.451 -13.977
  104    HD2  ARG  12           2HD      ARG  12   4.190  -7.799 -14.366
  105    HD3  ARG  12           3HD      ARG  12   3.882  -6.519 -15.539
  106    HE   ARG  12           HE       ARG  12   4.646  -5.330 -13.129
  107   HH11  ARG  12          1HH1      ARG  12   5.995  -7.344 -15.627
  108   HH12  ARG  12          2HH1      ARG  12   7.612  -6.764 -15.403
  109   HH21  ARG  12          1HH2      ARG  12   6.770  -4.557 -12.824
  110   HH22  ARG  12          2HH2      ARG  12   8.052  -5.179 -13.808
  111    H    LYS  13           H        LYS  13   0.073  -8.010 -14.149
  112    HA   LYS  13           HA       LYS  13  -0.230  -8.833 -16.820
  113    HB2  LYS  13           2HB      LYS  13   0.471 -10.269 -14.870
  114    HB3  LYS  13           3HB      LYS  13  -1.217 -10.310 -14.377
  115    HG2  LYS  13           2HG      LYS  13  -1.293 -11.054 -17.036
  116    HG3  LYS  13           3HG      LYS  13   0.162 -11.836 -16.416
  117    HD2  LYS  13           2HD      LYS  13  -1.006 -13.149 -14.946
  118    HD3  LYS  13           3HD      LYS  13  -2.325 -11.987 -14.788
  119    HE2  LYS  13           2HE      LYS  13  -3.471 -12.882 -16.498
  120    HE3  LYS  13           3HE      LYS  13  -2.022 -13.095 -17.480
  121    HZ1  LYS  13           3HZ      LYS  13  -3.433 -15.019 -15.977
  122    HZ2  LYS  13           1HZ      LYS  13  -1.851 -14.908 -15.388
  123    HZ3  LYS  13           2HZ      LYS  13  -2.123 -15.245 -17.023
  124    H    LEU  14           H        LEU  14  -2.632  -8.313 -14.254
  125    HA   LEU  14           HA       LEU  14  -4.861  -8.984 -15.897
  126    HB2  LEU  14           2HB      LEU  14  -4.597  -7.563 -13.262
  127    HB3  LEU  14           3HB      LEU  14  -6.155  -7.818 -14.046
  128    HG   LEU  14           HG       LEU  14  -4.270  -9.969 -13.083
  129   HD11  LEU  14          1HD1      LEU  14  -6.283 -10.444 -11.587
  130   HD12  LEU  14          2HD1      LEU  14  -6.824  -8.819 -12.008
  131   HD13  LEU  14          3HD1      LEU  14  -5.281  -9.050 -11.185
  132   HD21  LEU  14          3HD2      LEU  14  -6.967 -10.147 -14.422
  133   HD22  LEU  14          1HD2      LEU  14  -6.135 -11.495 -13.646
  134   HD23  LEU  14          2HD2      LEU  14  -5.425 -10.718 -15.062
  135    H    THR  15           H        THR  15  -3.461  -5.910 -14.801
  136    HA   THR  15           HA       THR  15  -5.278  -4.142 -15.887
  137    HB   THR  15           HB       THR  15  -3.566  -2.466 -15.859
  138    HG1  THR  15           HG1      THR  15  -1.364  -3.035 -15.734
  139   HG21  THR  15          3HG2      THR  15  -2.295  -3.606 -13.642
  140   HG22  THR  15          1HG2      THR  15  -3.901  -4.331 -13.683
  141   HG23  THR  15          2HG2      THR  15  -3.727  -2.577 -13.637
  142    H    HIS  16           H        HIS  16  -2.663  -5.877 -17.478
  143    HA   HIS  16           HA       HIS  16  -3.086  -4.503 -19.992
  144    HB2  HIS  16           2HB      HIS  16  -0.851  -5.463 -19.032
  145    HB3  HIS  16           3HB      HIS  16  -1.427  -6.985 -19.704
  146    HD1  HIS  16           HD1      HIS  16  -0.139  -3.623 -20.693
  147    HD2  HIS  16           HD2      HIS  16  -1.416  -7.138 -22.503
  148    HE1  HIS  16           HE1      HIS  16   0.553  -3.428 -23.103
  149    H    ARG  17           H        ARG  17  -4.067  -7.451 -18.438
  150    HA   ARG  17           HA       ARG  17  -5.237  -8.447 -20.938
  151    HB2  ARG  17           2HB      ARG  17  -4.461  -9.720 -18.349
  152    HB3  ARG  17           3HB      ARG  17  -5.742 -10.457 -19.302
  153    HG2  ARG  17           2HG      ARG  17  -3.820 -11.569 -19.984
  154    HG3  ARG  17           3HG      ARG  17  -4.083 -10.368 -21.250
  155    HD2  ARG  17           2HD      ARG  17  -2.485  -8.873 -19.997
  156    HD3  ARG  17           3HD      ARG  17  -2.104 -10.265 -18.984
  157    HE   ARG  17           HE       ARG  17  -1.824 -10.769 -21.801
  158   HH11  ARG  17          1HH1      ARG  17  -0.258  -9.564 -18.935
  159   HH12  ARG  17          2HH1      ARG  17   1.343  -9.866 -19.525
  160   HH21  ARG  17          1HH2      ARG  17   0.278 -11.171 -22.589
  161   HH22  ARG  17          2HH2      ARG  17   1.647 -10.779 -21.604
  162    H    LEU  18           H        LEU  18  -6.451  -9.170 -17.733
  163    HA   LEU  18           HA       LEU  18  -8.950  -7.762 -18.407
  164    HB2  LEU  18           2HB      LEU  18 -10.135  -9.540 -17.149
  165    HB3  LEU  18           3HB      LEU  18  -9.349 -10.103 -18.623
  166    HG   LEU  18           HG       LEU  18  -7.662 -10.423 -16.276
  167   HD11  LEU  18          1HD1      LEU  18  -9.926 -10.680 -15.248
  168   HD12  LEU  18          2HD1      LEU  18  -8.906 -12.116 -15.154
  169   HD13  LEU  18          3HD1      LEU  18 -10.205 -12.033 -16.345
  170   HD21  LEU  18          3HD2      LEU  18  -7.375 -11.439 -18.551
  171   HD22  LEU  18          1HD2      LEU  18  -8.760 -12.470 -18.192
  172   HD23  LEU  18          2HD2      LEU  18  -7.300 -12.582 -17.209
  173    H    PHE  19           H        PHE  19  -7.953  -5.980 -17.205
  174    HA   PHE  19           HA       PHE  19  -7.115  -5.987 -14.595
  175    HB2  PHE  19           2HB      PHE  19  -7.221  -4.022 -16.212
  176    HB3  PHE  19           3HB      PHE  19  -8.898  -3.826 -15.713
  177    HD1  PHE  19           HD1      PHE  19  -5.900  -4.693 -13.693
  178    HD2  PHE  19           HD2      PHE  19  -8.956  -1.847 -14.516
  179    HE1  PHE  19           HE1      PHE  19  -5.163  -3.350 -11.767
  180    HE2  PHE  19           HE2      PHE  19  -8.224  -0.500 -12.592
  181    HZ   PHE  19           HZ       PHE  19  -6.325  -1.250 -11.215
  182    H    ARG  20           H        ARG  20 -10.425  -5.012 -15.494
  183    HA   ARG  20           HA       ARG  20 -11.337  -6.016 -12.887
  184    HB2  ARG  20           2HB      ARG  20 -13.356  -4.593 -13.329
  185    HB3  ARG  20           3HB      ARG  20 -11.850  -3.698 -13.173
  186    HG2  ARG  20           2HG      ARG  20 -11.718  -3.350 -15.520
  187    HG3  ARG  20           3HG      ARG  20 -13.043  -4.476 -15.820
  188    HD2  ARG  20           2HD      ARG  20 -13.972  -2.517 -13.997
  189    HD3  ARG  20           3HD      ARG  20 -13.155  -1.675 -15.312
  190    HE   ARG  20           HE       ARG  20 -14.835  -3.600 -16.434
  191   HH11  ARG  20          1HH1      ARG  20 -15.063  -0.655 -14.591
  192   HH12  ARG  20          2HH1      ARG  20 -16.606  -0.213 -15.243
  193   HH21  ARG  20          1HH2      ARG  20 -16.867  -3.029 -17.299
  194   HH22  ARG  20          2HH2      ARG  20 -17.631  -1.564 -16.783
  195    H    ARG  21           H        ARG  21 -11.679  -6.407 -16.315
  196    HA   ARG  21           HA       ARG  21 -14.130  -7.668 -16.535
  197    HB2  ARG  21           2HB      ARG  21 -11.572  -7.804 -18.053
  198    HB3  ARG  21           3HB      ARG  21 -12.782  -9.038 -18.380
  199    HG2  ARG  21           2HG      ARG  21 -14.296  -7.518 -19.234
  200    HG3  ARG  21           3HG      ARG  21 -13.549  -6.153 -18.400
  201    HD2  ARG  21           2HD      ARG  21 -11.606  -6.316 -19.877
  202    HD3  ARG  21           3HD      ARG  21 -12.348  -7.684 -20.705
  203    HE   ARG  21           HE       ARG  21 -14.098  -5.481 -20.776
  204   HH11  ARG  21          1HH1      ARG  21 -11.081  -6.579 -22.122
  205   HH12  ARG  21          2HH1      ARG  21 -11.252  -5.666 -23.585
  206   HH21  ARG  21          1HH2      ARG  21 -14.334  -4.275 -22.697
  207   HH22  ARG  21          2HH2      ARG  21 -13.102  -4.355 -23.910
  Start of MODEL    6
    1    H1   LYS   1           H        LYS   1   2.407  -2.248   1.184
    2    HA   LYS   1           HA       LYS   1   1.700  -0.501  -0.097
    3    HB2  LYS   1           2HB      LYS   1   4.177  -1.032  -1.737
    4    HB3  LYS   1           3HB      LYS   1   3.344   0.501  -1.520
    5    HG2  LYS   1           2HG      LYS   1   3.960  -0.180   1.051
    6    HG3  LYS   1           3HG      LYS   1   5.347  -0.803   0.154
    7    HD2  LYS   1           2HD      LYS   1   6.017   1.277  -0.524
    8    HD3  LYS   1           3HD      LYS   1   4.379   1.935  -0.489
    9    HE2  LYS   1           2HE      LYS   1   4.788   1.360   2.138
   10    HE3  LYS   1           3HE      LYS   1   6.415   1.806   1.624
   11    HZ1  LYS   1           3HZ      LYS   1   3.967   3.442   1.646
   12    HZ2  LYS   1           1HZ      LYS   1   5.217   3.814   0.568
   13    HZ3  LYS   1           2HZ      LYS   1   5.509   3.816   2.234
   14    H    TYR   2           H        TYR   2  -0.141  -1.120  -1.108
   15    HA   TYR   2           HA       TYR   2   0.144  -2.376  -3.759
   16    HB2  TYR   2           2HB      TYR   2  -1.159  -3.496  -1.695
   17    HB3  TYR   2           3HB      TYR   2  -2.467  -2.519  -2.352
   18    HD1  TYR   2           HD2      TYR   2  -1.787  -2.691  -5.264
   19    HD2  TYR   2           HD1      TYR   2  -1.857  -5.673  -2.230
   20    HE1  TYR   2           HE2      TYR   2  -2.218  -4.409  -6.971
   21    HE2  TYR   2           HE1      TYR   2  -2.287  -7.400  -3.929
   22    HH   TYR   2           HH       TYR   2  -2.424  -6.587  -7.380
   23    H    GLU   3           H        GLU   3   0.363   0.404  -3.379
   24    HA   GLU   3           HA       GLU   3  -2.183   1.399  -4.473
   25    HB2  GLU   3           2HB      GLU   3   0.040   3.039  -3.253
   26    HB3  GLU   3           3HB      GLU   3  -1.567   3.595  -3.700
   27    HG2  GLU   3           2HG      GLU   3  -2.168   1.597  -1.969
   28    HG3  GLU   3           3HG      GLU   3  -0.653   2.194  -1.295
   29    H    ILE   4           H        ILE   4   1.285   2.213  -4.694
   30    HA   ILE   4           HA       ILE   4   0.945   2.435  -7.612
   31    HB   ILE   4           HB       ILE   4   2.869   4.143  -6.053
   32   HG12  ILE   4          2HG1      ILE   4   0.640   4.667  -5.221
   33   HG13  ILE   4          3HG1      ILE   4   1.217   5.976  -6.246
   34   HG21  ILE   4          1HG2      ILE   4   2.559   3.634  -8.759
   35   HG22  ILE   4          2HG2      ILE   4   1.780   5.197  -8.519
   36   HG23  ILE   4          3HG2      ILE   4   3.460   4.966  -8.036
   37   HD11  ILE   4          3HD1      ILE   4  -1.174   4.470  -6.457
   38   HD12  ILE   4          1HD1      ILE   4  -0.624   5.818  -7.451
   39   HD13  ILE   4          2HD1      ILE   4  -0.195   4.165  -7.891
   40    H    THR   5           H        THR   5   2.129   0.452  -5.498
   41    HA   THR   5           HA       THR   5   4.732   0.098  -6.835
   42    HB   THR   5           HB       THR   5   3.840  -0.556  -4.041
   43    HG1  THR   5           HG1      THR   5   6.012   0.437  -3.719
   44   HG21  THR   5          3HG2      THR   5   6.203  -1.736  -5.504
   45   HG22  THR   5          1HG2      THR   5   4.816  -2.615  -4.861
   46   HG23  THR   5          2HG2      THR   5   5.948  -1.827  -3.762
   47    H    THR   6           H        THR   6   2.272  -1.880  -5.165
   48    HA   THR   6           HA       THR   6   2.913  -4.140  -6.877
   49    HB   THR   6           HB       THR   6   0.925  -3.921  -4.608
   50    HG1  THR   6           HG1      THR   6   3.535  -5.067  -4.730
   51   HG21  THR   6          3HG2      THR   6   1.889  -6.289  -6.209
   52   HG22  THR   6          1HG2      THR   6   0.238  -5.684  -6.082
   53   HG23  THR   6          2HG2      THR   6   1.018  -6.423  -4.682
   54    H    ILE   7           H        ILE   7   0.662  -1.583  -6.761
   55    HA   ILE   7           HA       ILE   7  -1.581  -2.796  -7.959
   56    HB   ILE   7           HB       ILE   7  -1.029  -0.287  -6.995
   57   HG12  ILE   7          2HG1      ILE   7  -3.209  -1.486  -7.061
   58   HG13  ILE   7          3HG1      ILE   7  -3.344   0.211  -7.509
   59   HG21  ILE   7          1HG2      ILE   7  -1.370   1.299  -8.780
   60   HG22  ILE   7          2HG2      ILE   7   0.038   0.302  -9.144
   61   HG23  ILE   7          3HG2      ILE   7  -1.495  -0.005  -9.960
   62   HD11  ILE   7          3HD1      ILE   7  -3.253  -2.103  -9.430
   63   HD12  ILE   7          1HD1      ILE   7  -4.701  -1.225  -8.936
   64   HD13  ILE   7          2HD1      ILE   7  -3.440  -0.401  -9.854
   65    H    HIS   8           H        HIS   8   1.401  -1.533  -9.265
   66    HA   HIS   8           HA       HIS   8   0.435  -2.104 -11.988
   67    HB2  HIS   8           2HB      HIS   8   1.924   0.097 -10.897
   68    HB3  HIS   8           3HB      HIS   8   2.900  -0.723 -12.112
   69    HD1  HIS   8           HD1      HIS   8  -0.566   0.796 -11.776
   70    HD2  HIS   8           HD2      HIS   8   2.308  -0.014 -14.665
   71    HE1  HIS   8           HE1      HIS   8  -1.434   1.832 -13.897
   72    H    ASN   9           H        ASN   9   2.052  -3.561  -9.603
   73    HA   ASN   9           HA       ASN   9   4.059  -4.784 -11.374
   74    HB2  ASN   9           2HB      ASN   9   5.376  -4.257  -9.608
   75    HB3  ASN   9           3HB      ASN   9   4.011  -4.131  -8.501
   76   HD21  ASN   9          1HD2      ASN   9   4.368  -5.432  -6.858
   77   HD22  ASN   9          2HD2      ASN   9   4.911  -7.069  -6.957
   78    H    LEU  10           H        LEU  10   1.393  -5.457  -9.183
   79    HA   LEU  10           HA       LEU  10   1.524  -8.302  -9.897
   80    HB2  LEU  10           2HB      LEU  10   1.480  -7.963  -7.541
   81    HB3  LEU  10           3HB      LEU  10   0.130  -6.837  -7.669
   82    HG   LEU  10           HG       LEU  10  -1.381  -8.630  -8.210
   83   HD11  LEU  10          1HD1      LEU  10  -0.066 -10.998  -7.811
   84   HD12  LEU  10          2HD1      LEU  10   1.100 -10.065  -8.748
   85   HD13  LEU  10          3HD1      LEU  10  -0.526 -10.330  -9.377
   86   HD21  LEU  10          3HD2      LEU  10  -0.208 -10.092  -6.044
   87   HD22  LEU  10          1HD2      LEU  10  -1.625  -9.042  -6.044
   88   HD23  LEU  10          2HD2      LEU  10  -0.023  -8.360  -5.765
   89    H    PHE  11           H        PHE  11   0.061  -5.538 -10.906
   90    HA   PHE  11           HA       PHE  11  -2.329  -6.994 -11.830
   91    HB2  PHE  11           2HB      PHE  11  -2.249  -4.661 -10.298
   92    HB3  PHE  11           3HB      PHE  11  -2.603  -4.106 -11.931
   93    HD1  PHE  11           HD2      PHE  11  -3.745  -6.329  -9.216
   94    HD2  PHE  11           HD1      PHE  11  -4.722  -4.447 -12.907
   95    HE1  PHE  11           HE2      PHE  11  -6.101  -6.973  -8.917
   96    HE2  PHE  11           HE1      PHE  11  -7.080  -5.087 -12.613
   97    HZ   PHE  11           HZ       PHE  11  -7.771  -6.353 -10.617
   98    H    ARG  12           H        ARG  12   0.560  -5.668 -12.752
   99    HA   ARG  12           HA       ARG  12   0.141  -4.245 -15.059
  100    HB2  ARG  12           2HB      ARG  12   2.298  -5.393 -15.870
  101    HB3  ARG  12           3HB      ARG  12   2.370  -4.454 -14.385
  102    HG2  ARG  12           2HG      ARG  12   2.947  -6.227 -13.171
  103    HG3  ARG  12           3HG      ARG  12   1.707  -7.242 -13.910
  104    HD2  ARG  12           2HD      ARG  12   3.132  -8.094 -15.438
  105    HD3  ARG  12           3HD      ARG  12   3.991  -6.568 -15.640
  106    HE   ARG  12           HE       ARG  12   4.544  -7.733 -13.109
  107   HH11  ARG  12          1HH1      ARG  12   5.302  -7.975 -16.498
  108   HH12  ARG  12          2HH1      ARG  12   6.866  -8.671 -16.232
  109   HH21  ARG  12          1HH2      ARG  12   6.601  -8.648 -12.746
  110   HH22  ARG  12          2HH2      ARG  12   7.604  -9.054 -14.097
  111    H    LYS  13           H        LYS  13  -0.117  -7.714 -14.571
  112    HA   LYS  13           HA       LYS  13  -0.290  -8.475 -17.279
  113    HB2  LYS  13           2HB      LYS  13  -1.503  -9.810 -14.851
  114    HB3  LYS  13           3HB      LYS  13  -1.287 -10.557 -16.429
  115    HG2  LYS  13           2HG      LYS  13   1.048 -10.601 -16.211
  116    HG3  LYS  13           3HG      LYS  13   1.026  -9.467 -14.858
  117    HD2  LYS  13           2HD      LYS  13  -0.380 -11.311 -13.681
  118    HD3  LYS  13           3HD      LYS  13   0.307 -12.373 -14.912
  119    HE2  LYS  13           2HE      LYS  13   2.550 -11.777 -14.211
  120    HE3  LYS  13           3HE      LYS  13   1.905 -10.628 -13.040
  121    HZ1  LYS  13           3HZ      LYS  13   2.395 -12.531 -11.811
  122    HZ2  LYS  13           1HZ      LYS  13   1.765 -13.580 -12.979
  123    HZ3  LYS  13           2HZ      LYS  13   0.723 -12.627 -12.049
  124    H    LEU  14           H        LEU  14  -2.755  -7.553 -14.913
  125    HA   LEU  14           HA       LEU  14  -4.933  -7.989 -16.732
  126    HB2  LEU  14           2HB      LEU  14  -4.781  -6.576 -14.076
  127    HB3  LEU  14           3HB      LEU  14  -6.274  -6.842 -14.973
  128    HG   LEU  14           HG       LEU  14  -4.502  -8.940 -13.729
  129   HD11  LEU  14          1HD1      LEU  14  -6.939  -9.352 -12.717
  130   HD12  LEU  14          2HD1      LEU  14  -7.036  -7.613 -12.988
  131   HD13  LEU  14          3HD1      LEU  14  -5.758  -8.275 -11.970
  132   HD21  LEU  14          3HD2      LEU  14  -6.204 -10.545 -14.512
  133   HD22  LEU  14          1HD2      LEU  14  -5.333  -9.776 -15.839
  134   HD23  LEU  14          2HD2      LEU  14  -6.968  -9.252 -15.437
  135    H    THR  15           H        THR  15  -3.293  -5.129 -15.406
  136    HA   THR  15           HA       THR  15  -4.788  -3.127 -16.562
  137    HB   THR  15           HB       THR  15  -2.898  -1.674 -16.349
  138    HG1  THR  15           HG1      THR  15  -1.174  -2.644 -17.225
  139   HG21  THR  15          3HG2      THR  15  -1.934  -3.053 -14.103
  140   HG22  THR  15          1HG2      THR  15  -3.621  -3.535 -14.277
  141   HG23  THR  15          2HG2      THR  15  -3.201  -1.827 -14.146
  142    H    HIS  16           H        HIS  16  -2.266  -5.105 -18.024
  143    HA   HIS  16           HA       HIS  16  -2.385  -3.633 -20.520
  144    HB2  HIS  16           2HB      HIS  16  -0.351  -4.932 -19.353
  145    HB3  HIS  16           3HB      HIS  16  -0.967  -6.240 -20.358
  146    HD1  HIS  16           HD1      HIS  16  -0.215  -6.255 -22.729
  147    HD2  HIS  16           HD2      HIS  16   0.352  -2.554 -20.927
  148    HE1  HIS  16           HE1      HIS  16   1.044  -4.874 -24.411
  149    H    ARG  17           H        ARG  17  -3.732  -6.498 -19.110
  150    HA   ARG  17           HA       ARG  17  -4.760  -7.383 -21.709
  151    HB2  ARG  17           2HB      ARG  17  -4.641  -8.730 -19.011
  152    HB3  ARG  17           3HB      ARG  17  -5.512  -9.404 -20.382
  153    HG2  ARG  17           2HG      ARG  17  -3.507  -9.665 -21.632
  154    HG3  ARG  17           3HG      ARG  17  -2.582  -8.736 -20.452
  155    HD2  ARG  17           2HD      ARG  17  -2.047 -10.707 -19.549
  156    HD3  ARG  17           3HD      ARG  17  -3.697 -10.732 -18.927
  157    HE   ARG  17           HE       ARG  17  -4.212 -12.375 -20.441
  158   HH11  ARG  17          1HH1      ARG  17  -1.168 -10.922 -21.304
  159   HH12  ARG  17          2HH1      ARG  17  -0.804 -12.097 -22.524
  160   HH21  ARG  17          1HH2      ARG  17  -3.744 -13.929 -22.045
  161   HH22  ARG  17          2HH2      ARG  17  -2.271 -13.806 -22.945
  162    H    LEU  18           H        LEU  18  -6.343  -7.964 -18.639
  163    HA   LEU  18           HA       LEU  18  -8.611  -6.313 -19.539
  164    HB2  LEU  18           2HB      LEU  18 -10.088  -7.970 -18.429
  165    HB3  LEU  18           3HB      LEU  18  -9.227  -8.596 -19.834
  166    HG   LEU  18           HG       LEU  18  -7.995  -9.071 -17.180
  167   HD11  LEU  18          1HD1      LEU  18  -9.957 -11.109 -17.878
  168   HD12  LEU  18          2HD1      LEU  18 -10.680  -9.571 -17.410
  169   HD13  LEU  18          3HD1      LEU  18  -9.570 -10.392 -16.313
  170   HD21  LEU  18          3HD2      LEU  18  -6.786  -9.997 -18.925
  171   HD22  LEU  18          1HD2      LEU  18  -8.235 -10.466 -19.816
  172   HD23  LEU  18          2HD2      LEU  18  -7.760 -11.360 -18.372
  173    H    PHE  19           H        PHE  19  -7.527  -4.662 -18.209
  174    HA   PHE  19           HA       PHE  19  -7.002  -4.799 -15.514
  175    HB2  PHE  19           2HB      PHE  19  -6.653  -2.835 -17.116
  176    HB3  PHE  19           3HB      PHE  19  -8.324  -2.399 -16.773
  177    HD1  PHE  19           HD1      PHE  19  -5.662  -3.692 -14.518
  178    HD2  PHE  19           HD2      PHE  19  -8.239  -0.458 -15.525
  179    HE1  PHE  19           HE1      PHE  19  -4.928  -2.485 -12.504
  180    HE2  PHE  19           HE2      PHE  19  -7.508   0.755 -13.514
  181    HZ   PHE  19           HZ       PHE  19  -5.850  -0.258 -12.000
  182    H    ARG  20           H        ARG  20 -10.099  -4.540 -17.125
  183    HA   ARG  20           HA       ARG  20 -11.746  -3.736 -15.063
  184    HB2  ARG  20           2HB      ARG  20 -12.206  -5.650 -17.341
  185    HB3  ARG  20           3HB      ARG  20 -13.486  -5.232 -16.211
  186    HG2  ARG  20           2HG      ARG  20 -13.863  -3.286 -17.214
  187    HG3  ARG  20           3HG      ARG  20 -12.145  -2.884 -17.248
  188    HD2  ARG  20           2HD      ARG  20 -11.907  -4.405 -19.212
  189    HD3  ARG  20           3HD      ARG  20 -13.660  -4.591 -19.216
  190    HE   ARG  20           HE       ARG  20 -12.157  -2.341 -20.168
  191   HH11  ARG  20          1HH1      ARG  20 -15.219  -3.380 -18.876
  192   HH12  ARG  20          2HH1      ARG  20 -16.108  -2.071 -19.580
  193   HH21  ARG  20          1HH2      ARG  20 -13.317  -0.613 -21.101
  194   HH22  ARG  20          2HH2      ARG  20 -15.026  -0.498 -20.847
  195    H    ARG  21           H        ARG  21 -10.309  -6.884 -15.647
  196    HA   ARG  21           HA       ARG  21 -11.458  -7.816 -13.097
  197    HB2  ARG  21           2HB      ARG  21 -11.543  -9.011 -15.696
  198    HB3  ARG  21           3HB      ARG  21 -10.592 -10.038 -14.632
  199    HG2  ARG  21           2HG      ARG  21 -12.432 -10.822 -13.692
  200    HG3  ARG  21           3HG      ARG  21 -12.937  -9.190 -13.248
  201    HD2  ARG  21           2HD      ARG  21 -14.327  -8.989 -15.031
  202    HD3  ARG  21           3HD      ARG  21 -13.304  -9.974 -16.076
  203    HE   ARG  21           HE       ARG  21 -14.473 -11.839 -15.419
  204   HH11  ARG  21          1HH1      ARG  21 -15.256  -9.172 -13.323
  205   HH12  ARG  21          2HH1      ARG  21 -16.563 -10.000 -12.542
  206   HH21  ARG  21          1HH2      ARG  21 -16.191 -12.939 -14.399
  207   HH22  ARG  21          2HH2      ARG  21 -17.093 -12.143 -13.155
  Start of MODEL    7
    1    H1   LYS   1           H        LYS   1   2.449  -2.238  -0.080
    2    HA   LYS   1           HA       LYS   1   1.747   0.505  -0.839
    3    HB2  LYS   1           2HB      LYS   1   4.198  -0.987  -1.793
    4    HB3  LYS   1           3HB      LYS   1   3.617   0.524  -2.481
    5    HG2  LYS   1           2HG      LYS   1   4.546   1.740  -0.864
    6    HG3  LYS   1           3HG      LYS   1   3.965   0.657   0.404
    7    HD2  LYS   1           2HD      LYS   1   5.891  -0.527   0.456
    8    HD3  LYS   1           3HD      LYS   1   6.140  -0.397  -1.287
    9    HE2  LYS   1           2HE      LYS   1   7.400   1.456  -1.091
   10    HE3  LYS   1           3HE      LYS   1   6.381   2.134   0.178
   11    HZ1  LYS   1           3HZ      LYS   1   7.463   0.302   1.616
   12    HZ2  LYS   1           1HZ      LYS   1   8.338   1.710   1.282
   13    HZ3  LYS   1           2HZ      LYS   1   8.661   0.290   0.422
   14    H    TYR   2           H        TYR   2  -0.242  -0.334  -1.560
   15    HA   TYR   2           HA       TYR   2  -0.049  -1.976  -4.000
   16    HB2  TYR   2           2HB      TYR   2  -1.276  -2.812  -1.774
   17    HB3  TYR   2           3HB      TYR   2  -2.605  -1.901  -2.483
   18    HD1  TYR   2           HD2      TYR   2  -2.032  -2.443  -5.386
   19    HD2  TYR   2           HD1      TYR   2  -2.058  -5.020  -2.001
   20    HE1  TYR   2           HE2      TYR   2  -2.562  -4.348  -6.848
   21    HE2  TYR   2           HE1      TYR   2  -2.587  -6.933  -3.454
   22    HH   TYR   2           HH       TYR   2  -3.471  -7.438  -5.584
   23    H    GLU   3           H        GLU   3   0.203   0.811  -4.053
   24    HA   GLU   3           HA       GLU   3  -2.343   1.605  -5.309
   25    HB2  GLU   3           2HB      GLU   3  -0.327   3.475  -4.061
   26    HB3  GLU   3           3HB      GLU   3  -1.922   3.888  -4.675
   27    HG2  GLU   3           2HG      GLU   3  -1.440   2.042  -2.351
   28    HG3  GLU   3           3HG      GLU   3  -1.763   3.768  -2.197
   29    H    ILE   4           H        ILE   4   1.175   2.116  -5.370
   30    HA   ILE   4           HA       ILE   4   0.968   2.508  -8.284
   31    HB   ILE   4           HB       ILE   4   1.561   4.595  -6.968
   32   HG12  ILE   4          2HG1      ILE   4   3.547   3.566  -9.006
   33   HG13  ILE   4          3HG1      ILE   4   2.021   4.368  -9.364
   34   HG21  ILE   4          1HG2      ILE   4   3.261   2.971  -5.618
   35   HG22  ILE   4          2HG2      ILE   4   4.359   3.733  -6.768
   36   HG23  ILE   4          3HG2      ILE   4   3.395   4.728  -5.677
   37   HD11  ILE   4          3HD1      ILE   4   3.244   6.220  -9.501
   38   HD12  ILE   4          1HD1      ILE   4   3.264   6.177  -7.738
   39   HD13  ILE   4          2HD1      ILE   4   4.608   5.492  -8.652
   40    H    THR   5           H        THR   5   2.256   0.703  -5.752
   41    HA   THR   5           HA       THR   5   4.572  -0.214  -7.280
   42    HB   THR   5           HB       THR   5   3.664  -0.746  -4.453
   43    HG1  THR   5           HG1      THR   5   5.117   0.729  -4.014
   44   HG21  THR   5          3HG2      THR   5   5.956  -2.006  -5.961
   45   HG22  THR   5          1HG2      THR   5   4.555  -2.834  -5.283
   46   HG23  THR   5          2HG2      THR   5   5.741  -2.087  -4.213
   47    H    THR   6           H        THR   6   2.258  -2.009  -5.263
   48    HA   THR   6           HA       THR   6   2.449  -4.336  -6.896
   49    HB   THR   6           HB       THR   6   0.381  -3.712  -4.780
   50    HG1  THR   6           HG1      THR   6   2.822  -5.154  -4.500
   51   HG21  THR   6          3HG2      THR   6   1.353  -6.365  -5.844
   52   HG22  THR   6          1HG2      THR   6  -0.173  -5.601  -6.283
   53   HG23  THR   6          2HG2      THR   6   0.110  -6.114  -4.619
   54    H    ILE   7           H        ILE   7   0.418  -1.546  -6.903
   55    HA   ILE   7           HA       ILE   7  -1.840  -2.605  -8.217
   56    HB   ILE   7           HB       ILE   7  -0.864   0.023  -7.500
   57   HG12  ILE   7          2HG1      ILE   7  -2.869  -1.124  -6.586
   58   HG13  ILE   7          3HG1      ILE   7  -3.232   0.475  -7.226
   59   HG21  ILE   7          1HG2      ILE   7  -0.630   0.402  -9.866
   60   HG22  ILE   7          2HG2      ILE   7  -2.239  -0.251 -10.167
   61   HG23  ILE   7          3HG2      ILE   7  -2.054   1.264  -9.284
   62   HD11  ILE   7          3HD1      ILE   7  -4.350  -0.385  -9.070
   63   HD12  ILE   7          1HD1      ILE   7  -3.613  -1.978  -8.894
   64   HD13  ILE   7          2HD1      ILE   7  -4.841  -1.442  -7.746
   65    H    HIS   8           H        HIS   8   1.294  -1.619  -9.354
   66    HA   HIS   8           HA       HIS   8   0.420  -2.090 -12.129
   67    HB2  HIS   8           2HB      HIS   8   1.971   0.028 -10.965
   68    HB3  HIS   8           3HB      HIS   8   2.961  -0.846 -12.130
   69    HD1  HIS   8           HD1      HIS   8   2.496  -0.445 -14.572
   70    HD2  HIS   8           HD2      HIS   8  -0.404   1.197 -12.092
   71    HE1  HIS   8           HE1      HIS   8   1.048   0.963 -16.071
   72    H    ASN   9           H        ASN   9   1.891  -3.590  -9.651
   73    HA   ASN   9           HA       ASN   9   3.892  -4.936 -11.333
   74    HB2  ASN   9           2HB      ASN   9   5.094  -4.354  -9.472
   75    HB3  ASN   9           3HB      ASN   9   3.684  -4.391  -8.417
   76   HD21  ASN   9          1HD2      ASN   9   4.208  -5.747  -6.845
   77   HD22  ASN   9          2HD2      ASN   9   4.783  -7.361  -7.063
   78    H    LEU  10           H        LEU  10   1.102  -5.470  -9.258
   79    HA   LEU  10           HA       LEU  10   1.098  -8.309 -10.022
   80    HB2  LEU  10           2HB      LEU  10   1.075  -7.953  -7.639
   81    HB3  LEU  10           3HB      LEU  10  -0.299  -6.858  -7.781
   82    HG   LEU  10           HG       LEU  10  -1.769  -8.664  -8.328
   83   HD11  LEU  10          1HD1      LEU  10   0.662 -10.448  -8.293
   84   HD12  LEU  10          2HD1      LEU  10  -0.236  -9.953  -9.728
   85   HD13  LEU  10          3HD1      LEU  10  -1.009 -10.970  -8.512
   86   HD21  LEU  10          3HD2      LEU  10  -1.969  -9.084  -6.161
   87   HD22  LEU  10          1HD2      LEU  10  -0.327  -8.497  -5.895
   88   HD23  LEU  10          2HD2      LEU  10  -0.608 -10.204  -6.239
   89    H    PHE  11           H        PHE  11  -0.174  -5.464 -11.008
   90    HA   PHE  11           HA       PHE  11  -2.654  -6.748 -11.950
   91    HB2  PHE  11           2HB      PHE  11  -2.382  -4.392 -10.420
   92    HB3  PHE  11           3HB      PHE  11  -2.825  -3.877 -12.045
   93    HD1  PHE  11           HD1      PHE  11  -3.853  -5.958  -9.180
   94    HD2  PHE  11           HD2      PHE  11  -5.007  -4.213 -12.887
   95    HE1  PHE  11           HE1      PHE  11  -6.201  -6.525  -8.712
   96    HE2  PHE  11           HE2      PHE  11  -7.357  -4.776 -12.424
   97    HZ   PHE  11           HZ       PHE  11  -7.956  -5.933 -10.334
   98    H    ARG  12           H        ARG  12   0.310  -5.799 -12.891
   99    HA   ARG  12           HA       ARG  12  -0.031  -4.252 -15.179
  100    HB2  ARG  12           2HB      ARG  12   2.094  -5.416 -15.966
  101    HB3  ARG  12           3HB      ARG  12   2.178  -4.579 -14.422
  102    HG2  ARG  12           2HG      ARG  12   2.269  -6.544 -13.210
  103    HG3  ARG  12           3HG      ARG  12   1.554  -7.498 -14.512
  104    HD2  ARG  12           2HD      ARG  12   3.950  -7.961 -14.234
  105    HD3  ARG  12           3HD      ARG  12   3.583  -7.284 -15.821
  106    HE   ARG  12           HE       ARG  12   4.272  -5.176 -14.132
  107   HH11  ARG  12          1HH1      ARG  12   5.745  -7.990 -15.555
  108   HH12  ARG  12          2HH1      ARG  12   7.333  -7.298 -15.597
  109   HH21  ARG  12          1HH2      ARG  12   6.357  -4.253 -14.182
  110   HH22  ARG  12          2HH2      ARG  12   7.680  -5.173 -14.815
  111    H    LYS  13           H        LYS  13  -0.460  -7.697 -14.674
  112    HA   LYS  13           HA       LYS  13  -0.826  -8.253 -17.485
  113    HB2  LYS  13           2HB      LYS  13  -1.311 -10.535 -16.759
  114    HB3  LYS  13           3HB      LYS  13   0.162  -9.941 -16.005
  115    HG2  LYS  13           2HG      LYS  13  -0.679 -10.129 -13.946
  116    HG3  LYS  13           3HG      LYS  13  -2.241  -9.459 -14.419
  117    HD2  LYS  13           2HD      LYS  13  -2.929 -11.576 -13.990
  118    HD3  LYS  13           3HD      LYS  13  -2.395 -11.831 -15.653
  119    HE2  LYS  13           2HE      LYS  13  -0.576 -13.034 -15.026
  120    HE3  LYS  13           3HE      LYS  13  -0.344 -12.114 -13.541
  121    HZ1  LYS  13           3HZ      LYS  13  -2.699 -13.841 -13.732
  122    HZ2  LYS  13           1HZ      LYS  13  -1.758 -13.444 -12.383
  123    HZ3  LYS  13           2HZ      LYS  13  -1.195 -14.581 -13.502
  124    H    LEU  14           H        LEU  14  -2.722  -6.914 -15.089
  125    HA   LEU  14           HA       LEU  14  -5.226  -7.925 -16.236
  126    HB2  LEU  14           2HB      LEU  14  -4.603  -6.453 -13.689
  127    HB3  LEU  14           3HB      LEU  14  -6.249  -6.700 -14.269
  128    HG   LEU  14           HG       LEU  14  -4.298  -8.874 -13.510
  129   HD11  LEU  14          1HD1      LEU  14  -5.938  -9.259 -11.670
  130   HD12  LEU  14          2HD1      LEU  14  -6.710  -7.737 -12.112
  131   HD13  LEU  14          3HD1      LEU  14  -5.040  -7.746 -11.543
  132   HD21  LEU  14          3HD2      LEU  14  -5.666  -9.791 -15.175
  133   HD22  LEU  14          1HD2      LEU  14  -7.093  -8.924 -14.606
  134   HD23  LEU  14          2HD2      LEU  14  -6.439 -10.262 -13.660
  135    H    THR  15           H        THR  15  -3.439  -4.954 -15.588
  136    HA   THR  15           HA       THR  15  -5.409  -3.153 -16.511
  137    HB   THR  15           HB       THR  15  -3.736  -1.471 -16.484
  138    HG1  THR  15           HG1      THR  15  -1.685  -1.853 -16.961
  139   HG21  THR  15          3HG2      THR  15  -2.323  -2.835 -14.405
  140   HG22  THR  15          1HG2      THR  15  -4.027  -3.284 -14.336
  141   HG23  THR  15          2HG2      THR  15  -3.558  -1.585 -14.267
  142    H    HIS  16           H        HIS  16  -2.730  -4.800 -18.127
  143    HA   HIS  16           HA       HIS  16  -3.168  -3.484 -20.639
  144    HB2  HIS  16           2HB      HIS  16  -0.963  -4.451 -19.836
  145    HB3  HIS  16           3HB      HIS  16  -1.632  -6.043 -20.182
  146    HD1  HIS  16           HD1      HIS  16  -0.120  -3.079 -21.794
  147    HD2  HIS  16           HD2      HIS  16  -2.041  -6.576 -22.955
  148    HE1  HIS  16           HE1      HIS  16   0.343  -3.316 -24.254
  149    H    ARG  17           H        ARG  17  -4.424  -6.280 -19.052
  150    HA   ARG  17           HA       ARG  17  -5.546  -7.339 -21.535
  151    HB2  ARG  17           2HB      ARG  17  -5.222  -8.402 -18.755
  152    HB3  ARG  17           3HB      ARG  17  -6.444  -9.099 -19.809
  153    HG2  ARG  17           2HG      ARG  17  -4.443 -10.410 -19.947
  154    HG3  ARG  17           3HG      ARG  17  -4.684  -9.567 -21.479
  155    HD2  ARG  17           2HD      ARG  17  -2.796  -8.378 -21.254
  156    HD3  ARG  17           3HD      ARG  17  -3.087  -8.069 -19.542
  157    HE   ARG  17           HE       ARG  17  -2.359 -10.670 -19.577
  158   HH11  ARG  17          1HH1      ARG  17  -0.941  -7.779 -20.901
  159   HH12  ARG  17          2HH1      ARG  17   0.686  -8.359 -20.768
  160   HH21  ARG  17          1HH2      ARG  17  -0.221 -11.445 -19.397
  161   HH22  ARG  17          2HH2      ARG  17   1.094 -10.445 -19.913
  162    H    LEU  18           H        LEU  18  -7.187  -7.679 -18.485
  163    HA   LEU  18           HA       LEU  18  -9.344  -5.927 -19.465
  164    HB2  LEU  18           2HB      LEU  18 -10.936  -7.497 -18.378
  165    HB3  LEU  18           3HB      LEU  18 -10.084  -8.168 -19.767
  166    HG   LEU  18           HG       LEU  18  -8.986  -8.705 -17.054
  167   HD11  LEU  18          1HD1      LEU  18 -11.530  -9.055 -17.063
  168   HD12  LEU  18          2HD1      LEU  18 -10.506 -10.386 -16.526
  169   HD13  LEU  18          3HD1      LEU  18 -11.197 -10.405 -18.148
  170   HD21  LEU  18          3HD2      LEU  18  -7.698 -10.018 -18.295
  171   HD22  LEU  18          1HD2      LEU  18  -8.639  -9.639 -19.738
  172   HD23  LEU  18          2HD2      LEU  18  -9.119 -10.982 -18.700
  173    H    PHE  19           H        PHE  19  -8.173  -4.345 -18.106
  174    HA   PHE  19           HA       PHE  19  -7.769  -4.515 -15.386
  175    HB2  PHE  19           2HB      PHE  19  -7.197  -2.600 -17.005
  176    HB3  PHE  19           3HB      PHE  19  -8.822  -2.007 -16.679
  177    HD1  PHE  19           HD2      PHE  19  -6.036  -3.387 -14.609
  178    HD2  PHE  19           HD1      PHE  19  -8.853  -0.254 -15.213
  179    HE1  PHE  19           HE2      PHE  19  -5.213  -2.261 -12.582
  180    HE2  PHE  19           HE1      PHE  19  -8.034   0.878 -13.188
  181    HZ   PHE  19           HZ       PHE  19  -6.213  -0.126 -11.868
  182    H    ARG  20           H        ARG  20 -10.752  -4.186 -17.129
  183    HA   ARG  20           HA       ARG  20 -12.466  -3.115 -15.266
  184    HB2  ARG  20           2HB      ARG  20 -14.206  -4.674 -16.312
  185    HB3  ARG  20           3HB      ARG  20 -13.365  -3.567 -17.389
  186    HG2  ARG  20           2HG      ARG  20 -12.591  -5.241 -18.616
  187    HG3  ARG  20           3HG      ARG  20 -11.949  -6.064 -17.193
  188    HD2  ARG  20           2HD      ARG  20 -13.692  -7.471 -17.077
  189    HD3  ARG  20           3HD      ARG  20 -14.860  -6.199 -17.433
  190    HE   ARG  20           HE       ARG  20 -13.572  -6.696 -19.807
  191   HH11  ARG  20          1HH1      ARG  20 -15.442  -8.547 -17.527
  192   HH12  ARG  20          2HH1      ARG  20 -16.063  -9.637 -18.723
  193   HH21  ARG  20          1HH2      ARG  20 -14.383  -8.125 -21.390
  194   HH22  ARG  20          2HH2      ARG  20 -15.459  -9.396 -20.919
  195    H    ARG  21           H        ARG  21 -11.041  -6.307 -15.337
  196    HA   ARG  21           HA       ARG  21 -12.715  -7.313 -13.207
  197    HB2  ARG  21           2HB      ARG  21 -11.606  -9.367 -13.484
  198    HB3  ARG  21           3HB      ARG  21 -11.702  -8.696 -15.107
  199    HG2  ARG  21           2HG      ARG  21  -9.534  -9.322 -15.144
  200    HG3  ARG  21           3HG      ARG  21  -9.318  -7.734 -14.406
  201    HD2  ARG  21           2HD      ARG  21  -8.224  -8.841 -12.796
  202    HD3  ARG  21           3HD      ARG  21  -9.828  -9.305 -12.233
  203    HE   ARG  21           HE       ARG  21  -8.772 -11.083 -14.218
  204   HH11  ARG  21          1HH1      ARG  21  -8.807 -10.308 -10.825
  205   HH12  ARG  21          2HH1      ARG  21  -8.402 -11.915 -10.320
  206   HH21  ARG  21          1HH2      ARG  21  -8.238 -13.203 -13.567
  207   HH22  ARG  21          2HH2      ARG  21  -8.078 -13.560 -11.880
  Start of MODEL    8
    1    H1   LYS   1           H        LYS   1   2.043   0.175   0.678
    2    HA   LYS   1           HA       LYS   1   2.247   1.058  -1.415
    3    HB2  LYS   1           2HB      LYS   1   4.706  -0.699  -1.356
    4    HB3  LYS   1           3HB      LYS   1   4.413   0.563  -2.545
    5    HG2  LYS   1           2HG      LYS   1   4.712   2.264  -1.011
    6    HG3  LYS   1           3HG      LYS   1   4.378   1.216   0.369
    7    HD2  LYS   1           2HD      LYS   1   6.536  -0.031  -0.469
    8    HD3  LYS   1           3HD      LYS   1   6.880   1.528  -1.223
    9    HE2  LYS   1           2HE      LYS   1   6.197   1.208   1.692
   10    HE3  LYS   1           3HE      LYS   1   7.849   1.191   1.077
   11    HZ1  LYS   1           3HZ      LYS   1   7.562   3.384   1.645
   12    HZ2  LYS   1           1HZ      LYS   1   5.935   3.421   1.186
   13    HZ3  LYS   1           2HZ      LYS   1   7.146   3.423   0.006
   14    H    TYR   2           H        TYR   2   0.413  -0.952  -1.417
   15    HA   TYR   2           HA       TYR   2   0.965  -2.406  -3.919
   16    HB2  TYR   2           2HB      TYR   2   0.607  -3.876  -1.965
   17    HB3  TYR   2           3HB      TYR   2  -0.975  -3.146  -1.718
   18    HD1  TYR   2           HD1      TYR   2   0.324  -3.840  -5.078
   19    HD2  TYR   2           HD2      TYR   2  -2.158  -5.245  -1.921
   20    HE1  TYR   2           HE1      TYR   2  -0.671  -5.493  -6.604
   21    HE2  TYR   2           HE2      TYR   2  -3.159  -6.902  -3.438
   22    HH   TYR   2           HH       TYR   2  -2.140  -7.135  -6.835
   23    H    GLU   3           H        GLU   3  -0.021   0.329  -3.668
   24    HA   GLU   3           HA       GLU   3  -2.762   0.030  -4.693
   25    HB2  GLU   3           2HB      GLU   3  -1.343   2.461  -3.592
   26    HB3  GLU   3           3HB      GLU   3  -2.970   2.471  -4.257
   27    HG2  GLU   3           2HG      GLU   3  -2.650   0.447  -2.214
   28    HG3  GLU   3           3HG      GLU   3  -2.263   2.061  -1.620
   29    H    ILE   4           H        ILE   4   0.121   2.058  -5.250
   30    HA   ILE   4           HA       ILE   4  -0.461   1.917  -8.134
   31    HB   ILE   4           HB       ILE   4   0.639   4.320  -6.673
   32   HG12  ILE   4          2HG1      ILE   4  -1.766   3.938  -6.241
   33   HG13  ILE   4          3HG1      ILE   4  -1.486   5.396  -7.186
   34   HG21  ILE   4          1HG2      ILE   4   1.579   4.416  -8.790
   35   HG22  ILE   4          2HG2      ILE   4   0.163   3.701  -9.560
   36   HG23  ILE   4          3HG2      ILE   4   0.104   5.364  -8.978
   37   HD11  ILE   4          3HD1      ILE   4  -3.392   4.186  -8.036
   38   HD12  ILE   4          1HD1      ILE   4  -2.086   4.170  -9.221
   39   HD13  ILE   4          2HD1      ILE   4  -2.409   2.737  -8.246
   40    H    THR   5           H        THR   5   1.628   1.041  -5.778
   41    HA   THR   5           HA       THR   5   4.044   1.419  -7.399
   42    HB   THR   5           HB       THR   5   3.615   0.732  -4.504
   43    HG1  THR   5           HG1      THR   5   5.224   2.680  -5.829
   44   HG21  THR   5          3HG2      THR   5   6.085   0.286  -6.164
   45   HG22  THR   5          1HG2      THR   5   5.271  -0.847  -5.086
   46   HG23  THR   5          2HG2      THR   5   6.154   0.526  -4.418
   47    H    THR   6           H        THR   6   2.868  -1.194  -5.276
   48    HA   THR   6           HA       THR   6   4.171  -3.185  -6.893
   49    HB   THR   6           HB       THR   6   2.228  -3.657  -4.629
   50    HG1  THR   6           HG1      THR   6   3.748  -2.947  -3.352
   51   HG21  THR   6          3HG2      THR   6   4.511  -5.456  -5.107
   52   HG22  THR   6          1HG2      THR   6   3.271  -5.462  -6.360
   53   HG23  THR   6          2HG2      THR   6   2.839  -5.831  -4.690
   54    H    ILE   7           H        ILE   7   1.006  -1.812  -6.666
   55    HA   ILE   7           HA       ILE   7  -0.531  -3.895  -7.744
   56    HB   ILE   7           HB       ILE   7  -0.957  -1.180  -7.043
   57   HG12  ILE   7          2HG1      ILE   7  -2.845  -3.390  -7.881
   58   HG13  ILE   7          3HG1      ILE   7  -2.286  -3.055  -6.246
   59   HG21  ILE   7          1HG2      ILE   7  -0.787  -0.653  -9.421
   60   HG22  ILE   7          2HG2      ILE   7  -2.020  -1.859  -9.782
   61   HG23  ILE   7          3HG2      ILE   7  -2.435  -0.429  -8.836
   62   HD11  ILE   7          3HD1      ILE   7  -4.009  -1.248  -7.925
   63   HD12  ILE   7          1HD1      ILE   7  -4.555  -2.264  -6.591
   64   HD13  ILE   7          2HD1      ILE   7  -3.456  -0.918  -6.284
   65    H    HIS   8           H        HIS   8   1.630  -1.612  -9.229
   66    HA   HIS   8           HA       HIS   8   0.684  -2.158 -11.911
   67    HB2  HIS   8           2HB      HIS   8   2.315  -0.159 -10.650
   68    HB3  HIS   8           3HB      HIS   8   3.198  -0.862 -12.002
   69    HD1  HIS   8           HD1      HIS   8   2.994   1.120 -13.566
   70    HD2  HIS   8           HD2      HIS   8  -0.675  -0.228 -12.156
   71    HE1  HIS   8           HE1      HIS   8   1.263   2.332 -14.930
   72    H    ASN   9           H        ASN   9   2.420  -3.900  -9.782
   73    HA   ASN   9           HA       ASN   9   4.053  -5.139 -11.900
   74    HB2  ASN   9           2HB      ASN   9   4.686  -5.106  -8.941
   75    HB3  ASN   9           3HB      ASN   9   5.697  -5.754 -10.229
   76   HD21  ASN   9          1HD2      ASN   9   5.635  -3.371  -8.166
   77   HD22  ASN   9          2HD2      ASN   9   6.314  -2.082  -9.095
   78    H    LEU  10           H        LEU  10   1.835  -5.584  -9.259
   79    HA   LEU  10           HA       LEU  10   1.911  -8.495  -9.612
   80    HB2  LEU  10           2HB      LEU  10   2.090  -7.888  -7.336
   81    HB3  LEU  10           3HB      LEU  10   0.778  -6.719  -7.470
   82    HG   LEU  10           HG       LEU  10  -0.836  -8.532  -7.680
   83   HD11  LEU  10          1HD1      LEU  10   0.772 -10.745  -6.878
   84   HD12  LEU  10          2HD1      LEU  10   1.439 -10.056  -8.357
   85   HD13  LEU  10          3HD1      LEU  10  -0.246 -10.572  -8.307
   86   HD21  LEU  10          3HD2      LEU  10   0.396  -7.725  -5.410
   87   HD22  LEU  10          1HD2      LEU  10   0.665  -9.466  -5.332
   88   HD23  LEU  10          2HD2      LEU  10  -0.976  -8.833  -5.456
   89    H    PHE  11           H        PHE  11   0.220  -5.810 -10.661
   90    HA   PHE  11           HA       PHE  11  -2.136  -7.459 -11.303
   91    HB2  PHE  11           2HB      PHE  11  -2.125  -5.138  -9.791
   92    HB3  PHE  11           3HB      PHE  11  -2.602  -4.579 -11.391
   93    HD1  PHE  11           HD1      PHE  11  -3.515  -6.683  -8.541
   94    HD2  PHE  11           HD2      PHE  11  -4.697  -5.247 -12.369
   95    HE1  PHE  11           HE1      PHE  11  -5.811  -7.464  -8.122
   96    HE2  PHE  11           HE2      PHE  11  -6.994  -6.025 -11.956
   97    HZ   PHE  11           HZ       PHE  11  -7.554  -7.134  -9.830
   98    H    ARG  12           H        ARG  12   0.538  -5.957 -12.528
   99    HA   ARG  12           HA       ARG  12  -0.226  -4.618 -14.805
  100    HB2  ARG  12           2HB      ARG  12   1.941  -5.580 -15.799
  101    HB3  ARG  12           3HB      ARG  12   2.068  -4.616 -14.334
  102    HG2  ARG  12           2HG      ARG  12   2.960  -6.301 -13.200
  103    HG3  ARG  12           3HG      ARG  12   1.698  -7.416 -13.727
  104    HD2  ARG  12           2HD      ARG  12   2.985  -8.291 -15.341
  105    HD3  ARG  12           3HD      ARG  12   3.603  -6.713 -15.828
  106    HE   ARG  12           HE       ARG  12   4.882  -8.594 -14.114
  107   HH11  ARG  12          1HH1      ARG  12   4.480  -5.189 -14.718
  108   HH12  ARG  12          2HH1      ARG  12   6.001  -4.751 -14.013
  109   HH21  ARG  12          1HH2      ARG  12   6.887  -8.031 -13.183
  110   HH22  ARG  12          2HH2      ARG  12   7.370  -6.369 -13.141
  111    H    LYS  13           H        LYS  13  -0.046  -8.094 -14.266
  112    HA   LYS  13           HA       LYS  13  -0.401  -8.956 -16.904
  113    HB2  LYS  13           2HB      LYS  13  -1.275 -11.055 -15.873
  114    HB3  LYS  13           3HB      LYS  13   0.264 -10.522 -15.208
  115    HG2  LYS  13           2HG      LYS  13  -0.992  -9.501 -13.312
  116    HG3  LYS  13           3HG      LYS  13  -2.457 -10.248 -13.953
  117    HD2  LYS  13           2HD      LYS  13  -1.937 -12.202 -13.022
  118    HD3  LYS  13           3HD      LYS  13  -0.337 -12.187 -13.769
  119    HE2  LYS  13           2HE      LYS  13   0.285 -10.533 -11.898
  120    HE3  LYS  13           3HE      LYS  13  -1.187 -11.094 -11.106
  121    HZ1  LYS  13           3HZ      LYS  13  -0.108 -12.877 -10.402
  122    HZ2  LYS  13           1HZ      LYS  13   1.320 -12.302 -11.103
  123    HZ3  LYS  13           2HZ      LYS  13   0.294 -13.316 -11.985
  124    H    LEU  14           H        LEU  14  -2.786  -8.217 -14.385
  125    HA   LEU  14           HA       LEU  14  -5.030  -8.838 -16.049
  126    HB2  LEU  14           2HB      LEU  14  -4.791  -7.363 -13.435
  127    HB3  LEU  14           3HB      LEU  14  -6.327  -7.701 -14.229
  128    HG   LEU  14           HG       LEU  14  -4.385  -9.766 -13.193
  129   HD11  LEU  14          1HD1      LEU  14  -6.955  -8.647 -12.116
  130   HD12  LEU  14          2HD1      LEU  14  -5.388  -8.772 -11.318
  131   HD13  LEU  14          3HD1      LEU  14  -6.336 -10.225 -11.631
  132   HD21  LEU  14          3HD2      LEU  14  -5.617 -10.530 -15.165
  133   HD22  LEU  14          1HD2      LEU  14  -7.136 -10.083 -14.389
  134   HD23  LEU  14          2HD2      LEU  14  -6.144 -11.372 -13.707
  135    H    THR  15           H        THR  15  -3.525  -5.824 -14.922
  136    HA   THR  15           HA       THR  15  -5.234  -3.965 -15.999
  137    HB   THR  15           HB       THR  15  -3.423  -2.391 -16.022
  138    HG1  THR  15           HG1      THR  15  -1.861  -4.713 -16.305
  139   HG21  THR  15          3HG2      THR  15  -2.186  -3.554 -13.812
  140   HG22  THR  15          1HG2      THR  15  -3.813  -4.233 -13.824
  141   HG23  THR  15          2HG2      THR  15  -3.587  -2.484 -13.797
  142    H    HIS  16           H        HIS  16  -2.742  -5.835 -17.640
  143    HA   HIS  16           HA       HIS  16  -3.219  -4.464 -20.157
  144    HB2  HIS  16           2HB      HIS  16  -0.982  -5.594 -19.118
  145    HB3  HIS  16           3HB      HIS  16  -1.559  -6.909 -20.137
  146    HD1  HIS  16           HD1      HIS  16   0.171  -6.738 -21.964
  147    HD2  HIS  16           HD2      HIS  16  -1.749  -3.130 -21.217
  148    HE1  HIS  16           HE1      HIS  16   0.895  -5.195 -23.813
  149    H    ARG  17           H        ARG  17  -4.141  -7.380 -18.526
  150    HA   ARG  17           HA       ARG  17  -5.332  -8.457 -20.982
  151    HB2  ARG  17           2HB      ARG  17  -4.784  -9.692 -18.283
  152    HB3  ARG  17           3HB      ARG  17  -5.733 -10.494 -19.527
  153    HG2  ARG  17           2HG      ARG  17  -2.876  -9.599 -19.843
  154    HG3  ARG  17           3HG      ARG  17  -3.395 -11.245 -19.476
  155    HD2  ARG  17           2HD      ARG  17  -4.877 -10.423 -21.720
  156    HD3  ARG  17           3HD      ARG  17  -3.213  -9.919 -22.012
  157    HE   ARG  17           HE       ARG  17  -3.434 -12.624 -21.082
  158   HH11  ARG  17          1HH1      ARG  17  -3.548 -10.552 -23.877
  159   HH12  ARG  17          2HH1      ARG  17  -3.124 -11.810 -24.990
  160   HH21  ARG  17          1HH2      ARG  17  -2.875 -14.290 -22.537
  161   HH22  ARG  17          2HH2      ARG  17  -2.742 -13.936 -24.226
  162    H    LEU  18           H        LEU  18  -6.511  -9.075 -17.740
  163    HA   LEU  18           HA       LEU  18  -9.021  -7.696 -18.432
  164    HB2  LEU  18           2HB      LEU  18 -10.192  -9.448 -17.121
  165    HB3  LEU  18           3HB      LEU  18  -9.423 -10.040 -18.592
  166    HG   LEU  18           HG       LEU  18  -7.680 -10.320 -16.297
  167   HD11  LEU  18          1HD1      LEU  18 -10.253 -11.878 -16.182
  168   HD12  LEU  18          2HD1      LEU  18  -9.910 -10.479 -15.166
  169   HD13  LEU  18          3HD1      LEU  18  -8.908 -11.925 -15.043
  170   HD21  LEU  18          3HD2      LEU  18  -7.505 -11.437 -18.527
  171   HD22  LEU  18          1HD2      LEU  18  -8.913 -12.404 -18.089
  172   HD23  LEU  18          2HD2      LEU  18  -7.427 -12.535 -17.149
  173    H    PHE  19           H        PHE  19  -7.988  -5.892 -17.277
  174    HA   PHE  19           HA       PHE  19  -7.166  -5.872 -14.652
  175    HB2  PHE  19           2HB      PHE  19  -7.186  -3.947 -16.335
  176    HB3  PHE  19           3HB      PHE  19  -8.851  -3.667 -15.833
  177    HD1  PHE  19           HD1      PHE  19  -5.835  -4.580 -13.851
  178    HD2  PHE  19           HD2      PHE  19  -8.864  -1.695 -14.638
  179    HE1  PHE  19           HE1      PHE  19  -5.031  -3.226 -11.960
  180    HE2  PHE  19           HE2      PHE  19  -8.064  -0.335 -12.750
  181    HZ   PHE  19           HZ       PHE  19  -6.145  -1.100 -11.408
  182    H    ARG  20           H        ARG  20 -10.422  -4.798 -15.632
  183    HA   ARG  20           HA       ARG  20 -11.438  -5.907 -13.097
  184    HB2  ARG  20           2HB      ARG  20 -13.134  -4.144 -13.114
  185    HB3  ARG  20           3HB      ARG  20 -11.515  -3.460 -13.132
  186    HG2  ARG  20           2HG      ARG  20 -11.844  -3.373 -15.698
  187    HG3  ARG  20           3HG      ARG  20 -13.558  -3.534 -15.308
  188    HD2  ARG  20           2HD      ARG  20 -12.969  -1.594 -13.604
  189    HD3  ARG  20           3HD      ARG  20 -11.681  -1.294 -14.770
  190    HE   ARG  20           HE       ARG  20 -14.473  -0.766 -15.112
  191   HH11  ARG  20          1HH1      ARG  20 -11.513  -1.540 -16.774
  192   HH12  ARG  20          2HH1      ARG  20 -12.018  -0.834 -18.274
  193   HH21  ARG  20          1HH2      ARG  20 -15.149   0.166 -17.081
  194   HH22  ARG  20          2HH2      ARG  20 -14.086   0.137 -18.447
  195    H    ARG  21           H        ARG  21 -11.954  -5.524 -16.536
  196    HA   ARG  21           HA       ARG  21 -14.531  -6.776 -16.563
  197    HB2  ARG  21           2HB      ARG  21 -14.302  -6.742 -18.991
  198    HB3  ARG  21           3HB      ARG  21 -13.850  -5.186 -18.307
  199    HG2  ARG  21           2HG      ARG  21 -11.488  -5.775 -18.528
  200    HG3  ARG  21           3HG      ARG  21 -11.946  -7.332 -19.221
  201    HD2  ARG  21           2HD      ARG  21 -13.166  -5.005 -20.524
  202    HD3  ARG  21           3HD      ARG  21 -11.409  -5.080 -20.655
  203    HE   ARG  21           HE       ARG  21 -13.301  -6.749 -21.987
  204   HH11  ARG  21          1HH1      ARG  21 -10.091  -6.664 -20.642
  205   HH12  ARG  21          2HH1      ARG  21  -9.485  -7.917 -21.674
  206   HH21  ARG  21          1HH2      ARG  21 -12.515  -8.399 -23.352
  207   HH22  ARG  21          2HH2      ARG  21 -10.864  -8.903 -23.216
  Start of MODEL    9
    1    H1   LYS   1           H        LYS   1   2.017  -0.393   1.362
    2    HA   LYS   1           HA       LYS   1   1.939   0.867  -0.600
    3    HB2  LYS   1           2HB      LYS   1   4.192  -1.114  -0.962
    4    HB3  LYS   1           3HB      LYS   1   3.995   0.336  -1.938
    5    HG2  LYS   1           2HG      LYS   1   4.303   1.740  -0.018
    6    HG3  LYS   1           3HG      LYS   1   4.317   0.339   1.055
    7    HD2  LYS   1           2HD      LYS   1   6.542   0.393   0.838
    8    HD3  LYS   1           3HD      LYS   1   6.279  -0.265  -0.779
    9    HE2  LYS   1           2HE      LYS   1   6.086   2.113  -1.588
   10    HE3  LYS   1           3HE      LYS   1   6.639   2.620   0.008
   11    HZ1  LYS   1           3HZ      LYS   1   8.338   2.310  -1.897
   12    HZ2  LYS   1           1HZ      LYS   1   8.214   0.664  -1.524
   13    HZ3  LYS   1           2HZ      LYS   1   8.727   1.763  -0.344
   14    H    TYR   2           H        TYR   2  -0.187  -0.268  -1.173
   15    HA   TYR   2           HA       TYR   2   0.161  -1.704  -3.723
   16    HB2  TYR   2           2HB      TYR   2  -1.016  -2.772  -1.545
   17    HB3  TYR   2           3HB      TYR   2  -2.410  -1.983  -2.276
   18    HD1  TYR   2           HD2      TYR   2  -2.041  -2.335  -5.111
   19    HD2  TYR   2           HD1      TYR   2  -1.167  -5.043  -1.948
   20    HE1  TYR   2           HE2      TYR   2  -2.300  -4.224  -6.664
   21    HE2  TYR   2           HE1      TYR   2  -1.422  -6.939  -3.493
   22    HH   TYR   2           HH       TYR   2  -2.888  -6.718  -6.448
   23    H    GLU   3           H        GLU   3   0.172   1.075  -3.616
   24    HA   GLU   3           HA       GLU   3  -2.489   1.791  -4.655
   25    HB2  GLU   3           2HB      GLU   3  -0.352   3.710  -3.730
   26    HB3  GLU   3           3HB      GLU   3  -2.037   4.069  -4.078
   27    HG2  GLU   3           2HG      GLU   3  -2.760   2.835  -2.155
   28    HG3  GLU   3           3HG      GLU   3  -1.118   2.270  -1.850
   29    H    ILE   4           H        ILE   4   0.863   2.925  -5.113
   30    HA   ILE   4           HA       ILE   4   0.413   2.777  -8.021
   31    HB   ILE   4           HB       ILE   4   2.164   4.864  -6.747
   32   HG12  ILE   4          2HG1      ILE   4  -0.087   5.199  -5.862
   33   HG13  ILE   4          3HG1      ILE   4   0.298   6.457  -7.032
   34   HG21  ILE   4          1HG2      ILE   4   1.840   4.026  -9.357
   35   HG22  ILE   4          2HG2      ILE   4   0.845   5.478  -9.259
   36   HG23  ILE   4          3HG2      ILE   4   2.555   5.550  -8.832
   37   HD11  ILE   4          3HD1      ILE   4  -1.620   5.988  -8.026
   38   HD12  ILE   4          1HD1      ILE   4  -0.920   4.445  -8.516
   39   HD13  ILE   4          2HD1      ILE   4  -1.855   4.555  -7.024
   40    H    THR   5           H        THR   5   1.837   1.112  -5.844
   41    HA   THR   5           HA       THR   5   4.440   0.947  -7.219
   42    HB   THR   5           HB       THR   5   3.731   0.519  -4.331
   43    HG1  THR   5           HG1      THR   5   5.933   1.847  -5.558
   44   HG21  THR   5          3HG2      THR   5   6.169  -0.540  -5.764
   45   HG22  THR   5          1HG2      THR   5   4.916  -1.497  -4.976
   46   HG23  THR   5          2HG2      THR   5   5.978  -0.470  -4.013
   47    H    THR   6           H        THR   6   2.226  -1.070  -5.276
   48    HA   THR   6           HA       THR   6   3.088  -3.431  -6.754
   49    HB   THR   6           HB       THR   6   1.203  -3.176  -4.402
   50    HG1  THR   6           HG1      THR   6   2.934  -3.537  -3.193
   51   HG21  THR   6          3HG2      THR   6   2.301  -5.594  -5.832
   52   HG22  THR   6          1HG2      THR   6   0.609  -5.141  -5.634
   53   HG23  THR   6          2HG2      THR   6   1.554  -5.655  -4.236
   54    H    ILE   7           H        ILE   7   0.570  -1.140  -6.793
   55    HA   ILE   7           HA       ILE   7  -1.571  -2.719  -7.724
   56    HB   ILE   7           HB       ILE   7  -1.312  -0.099  -7.033
   57   HG12  ILE   7          2HG1      ILE   7  -3.595  -0.943  -8.788
   58   HG13  ILE   7          3HG1      ILE   7  -3.339  -1.736  -7.237
   59   HG21  ILE   7          1HG2      ILE   7  -1.746  -0.139 -10.017
   60   HG22  ILE   7          2HG2      ILE   7  -1.839   1.273  -8.965
   61   HG23  ILE   7          3HG2      ILE   7  -0.298   0.449  -9.202
   62   HD11  ILE   7          3HD1      ILE   7  -3.708   0.255  -6.047
   63   HD12  ILE   7          1HD1      ILE   7  -3.572   1.243  -7.501
   64   HD13  ILE   7          2HD1      ILE   7  -4.969   0.190  -7.277
   65    H    HIS   8           H        HIS   8   1.181  -1.279  -9.325
   66    HA   HIS   8           HA       HIS   8   0.172  -2.256 -11.913
   67    HB2  HIS   8           2HB      HIS   8   1.453   0.197 -11.143
   68    HB3  HIS   8           3HB      HIS   8   2.461  -0.644 -12.317
   69    HD1  HIS   8           HD1      HIS   8   1.971   0.105 -14.608
   70    HD2  HIS   8           HD2      HIS   8  -1.434   0.134 -12.228
   71    HE1  HIS   8           HE1      HIS   8   0.113   0.908 -16.101
   72    H    ASN   9           H        ASN   9   2.051  -3.251  -9.478
   73    HA   ASN   9           HA       ASN   9   4.096  -4.450 -11.221
   74    HB2  ASN   9           2HB      ASN   9   5.427  -3.591  -9.602
   75    HB3  ASN   9           3HB      ASN   9   4.109  -3.482  -8.439
   76   HD21  ASN   9          1HD2      ASN   9   4.684  -4.541  -6.687
   77   HD22  ASN   9          2HD2      ASN   9   5.399  -6.113  -6.638
   78    H    LEU  10           H        LEU  10   1.624  -5.146  -8.821
   79    HA   LEU  10           HA       LEU  10   2.049  -8.025  -9.207
   80    HB2  LEU  10           2HB      LEU  10   2.027  -7.409  -6.909
   81    HB3  LEU  10           3HB      LEU  10   0.560  -6.454  -7.117
   82    HG   LEU  10           HG       LEU  10  -0.761  -8.451  -7.386
   83   HD11  LEU  10          1HD1      LEU  10   1.851  -9.672  -7.827
   84   HD12  LEU  10          2HD1      LEU  10   0.251 -10.184  -8.363
   85   HD13  LEU  10          3HD1      LEU  10   0.811 -10.598  -6.743
   86   HD21  LEU  10          3HD2      LEU  10   0.602  -9.500  -5.099
   87   HD22  LEU  10          1HD2      LEU  10  -0.912  -8.598  -5.178
   88   HD23  LEU  10          2HD2      LEU  10   0.621  -7.737  -5.041
   89    H    PHE  11           H        PHE  11   0.252  -5.581 -10.476
   90    HA   PHE  11           HA       PHE  11  -1.976  -7.396 -11.129
   91    HB2  PHE  11           2HB      PHE  11  -2.130  -4.905  -9.882
   92    HB3  PHE  11           3HB      PHE  11  -2.583  -4.589 -11.554
   93    HD1  PHE  11           HD2      PHE  11  -3.415  -6.542  -8.543
   94    HD2  PHE  11           HD1      PHE  11  -4.657  -5.322 -12.427
   95    HE1  PHE  11           HE2      PHE  11  -5.674  -7.404  -8.087
   96    HE2  PHE  11           HE1      PHE  11  -6.919  -6.181 -11.977
   97    HZ   PHE  11           HZ       PHE  11  -7.429  -7.224  -9.805
   98    H    ARG  12           H        ARG  12   0.714  -5.877 -12.313
   99    HA   ARG  12           HA       ARG  12   0.075  -4.797 -14.751
  100    HB2  ARG  12           2HB      ARG  12   2.328  -5.789 -15.508
  101    HB3  ARG  12           3HB      ARG  12   2.330  -4.677 -14.146
  102    HG2  ARG  12           2HG      ARG  12   3.164  -6.213 -12.774
  103    HG3  ARG  12           3HG      ARG  12   1.997  -7.428 -13.301
  104    HD2  ARG  12           2HD      ARG  12   4.493  -6.667 -14.812
  105    HD3  ARG  12           3HD      ARG  12   4.354  -8.061 -13.742
  106    HE   ARG  12           HE       ARG  12   2.307  -8.331 -15.548
  107   HH11  ARG  12          1HH1      ARG  12   5.773  -8.054 -15.717
  108   HH12  ARG  12          2HH1      ARG  12   5.908  -8.998 -17.163
  109   HH21  ARG  12          1HH2      ARG  12   2.472  -9.575 -17.452
  110   HH22  ARG  12          2HH2      ARG  12   4.030  -9.862 -18.150
  111    H    LYS  13           H        LYS  13   0.264  -8.196 -13.866
  112    HA   LYS  13           HA       LYS  13   0.095  -9.287 -16.455
  113    HB2  LYS  13           2HB      LYS  13   0.765 -10.669 -14.598
  114    HB3  LYS  13           3HB      LYS  13  -0.764 -10.388 -13.776
  115    HG2  LYS  13           2HG      LYS  13  -0.650 -12.610 -14.797
  116    HG3  LYS  13           3HG      LYS  13  -1.949 -11.630 -15.480
  117    HD2  LYS  13           2HD      LYS  13  -1.081 -11.792 -17.525
  118    HD3  LYS  13           3HD      LYS  13   0.499 -11.250 -16.954
  119    HE2  LYS  13           2HE      LYS  13   0.708 -13.445 -17.934
  120    HE3  LYS  13           3HE      LYS  13   0.975 -13.552 -16.195
  121    HZ1  LYS  13           3HZ      LYS  13  -0.462 -15.330 -17.110
  122    HZ2  LYS  13           1HZ      LYS  13  -1.614 -14.159 -17.513
  123    HZ3  LYS  13           2HZ      LYS  13  -1.209 -14.424 -15.892
  124    H    LEU  14           H        LEU  14  -2.424  -8.527 -14.068
  125    HA   LEU  14           HA       LEU  14  -4.574  -9.380 -15.732
  126    HB2  LEU  14           2HB      LEU  14  -4.521  -7.592 -13.307
  127    HB3  LEU  14           3HB      LEU  14  -5.992  -8.173 -14.084
  128    HG   LEU  14           HG       LEU  14  -3.922  -9.821 -12.639
  129   HD11  LEU  14          1HD1      LEU  14  -5.248  -8.940 -10.985
  130   HD12  LEU  14          2HD1      LEU  14  -6.138 -10.410 -11.383
  131   HD13  LEU  14          3HD1      LEU  14  -6.674  -8.855 -12.020
  132   HD21  LEU  14          3HD2      LEU  14  -5.844 -11.582 -13.092
  133   HD22  LEU  14          1HD2      LEU  14  -4.526 -11.330 -14.237
  134   HD23  LEU  14          2HD2      LEU  14  -6.095 -10.575 -14.519
  135    H    THR  15           H        THR  15  -3.223  -6.202 -14.908
  136    HA   THR  15           HA       THR  15  -4.994  -4.565 -16.249
  137    HB   THR  15           HB       THR  15  -3.286  -2.887 -16.322
  138    HG1  THR  15           HG1      THR  15  -1.555  -5.113 -16.258
  139   HG21  THR  15          3HG2      THR  15  -2.105  -3.801 -13.950
  140   HG22  THR  15          1HG2      THR  15  -3.718  -4.512 -13.983
  141   HG23  THR  15          2HG2      THR  15  -3.522  -2.763 -14.108
  142    H    HIS  16           H        HIS  16  -2.306  -6.439 -17.536
  143    HA   HIS  16           HA       HIS  16  -2.626  -5.341 -20.196
  144    HB2  HIS  16           2HB      HIS  16  -0.746  -7.237 -18.877
  145    HB3  HIS  16           3HB      HIS  16  -0.950  -7.372 -20.621
  146    HD1  HIS  16           HD1      HIS  16   0.543  -5.226 -17.987
  147    HD2  HIS  16           HD2      HIS  16  -0.014  -5.144 -22.103
  148    HE1  HIS  16           HE1      HIS  16   2.035  -3.386 -18.830
  149    H    ARG  17           H        ARG  17  -3.670  -8.114 -18.384
  150    HA   ARG  17           HA       ARG  17  -4.721  -9.382 -20.811
  151    HB2  ARG  17           2HB      ARG  17  -4.062 -10.352 -18.067
  152    HB3  ARG  17           3HB      ARG  17  -5.318 -11.189 -18.968
  153    HG2  ARG  17           2HG      ARG  17  -3.117 -12.238 -19.222
  154    HG3  ARG  17           3HG      ARG  17  -3.771 -11.667 -20.759
  155    HD2  ARG  17           2HD      ARG  17  -2.385  -9.641 -20.568
  156    HD3  ARG  17           3HD      ARG  17  -1.706 -10.266 -19.065
  157    HE   ARG  17           HE       ARG  17  -1.382 -12.108 -21.212
  158   HH11  ARG  17          1HH1      ARG  17  -0.102  -9.179 -19.831
  159   HH12  ARG  17          2HH1      ARG  17   1.489  -9.417 -20.473
  160   HH21  ARG  17          1HH2      ARG  17   0.709 -12.432 -22.063
  161   HH22  ARG  17          2HH2      ARG  17   1.949 -11.267 -21.744
  162    H    LEU  18           H        LEU  18  -6.099  -9.749 -17.612
  163    HA   LEU  18           HA       LEU  18  -8.555  -8.426 -18.563
  164    HB2  LEU  18           2HB      LEU  18  -9.811 -10.060 -17.184
  165    HB3  LEU  18           3HB      LEU  18  -8.952 -10.778 -18.545
  166    HG   LEU  18           HG       LEU  18  -7.401 -10.835 -16.081
  167   HD11  LEU  18          1HD1      LEU  18  -9.930 -12.467 -16.148
  168   HD12  LEU  18          2HD1      LEU  18  -9.720 -11.014 -15.172
  169   HD13  LEU  18          3HD1      LEU  18  -8.707 -12.426 -14.878
  170   HD21  LEU  18          3HD2      LEU  18  -8.364 -13.078 -17.844
  171   HD22  LEU  18          1HD2      LEU  18  -6.966 -13.070 -16.768
  172   HD23  LEU  18          2HD2      LEU  18  -6.966 -12.070 -18.221
  173    H    PHE  19           H        PHE  19  -7.605  -6.525 -17.509
  174    HA   PHE  19           HA       PHE  19  -6.909  -6.255 -14.871
  175    HB2  PHE  19           2HB      PHE  19  -6.910  -4.476 -16.697
  176    HB3  PHE  19           3HB      PHE  19  -8.608  -4.217 -16.308
  177    HD1  PHE  19           HD1      PHE  19  -5.720  -4.876 -14.060
  178    HD2  PHE  19           HD2      PHE  19  -8.707  -2.123 -15.332
  179    HE1  PHE  19           HE1      PHE  19  -5.066  -3.338 -12.254
  180    HE2  PHE  19           HE2      PHE  19  -8.057  -0.580 -13.529
  181    HZ   PHE  19           HZ       PHE  19  -6.234  -1.186 -11.987
  182    H    ARG  20           H        ARG  20 -10.155  -5.370 -16.052
  183    HA   ARG  20           HA       ARG  20 -11.241  -6.336 -13.488
  184    HB2  ARG  20           2HB      ARG  20 -13.034  -4.604 -13.808
  185    HB3  ARG  20           3HB      ARG  20 -11.428  -3.957 -13.499
  186    HG2  ARG  20           2HG      ARG  20 -11.588  -2.728 -15.328
  187    HG3  ARG  20           3HG      ARG  20 -11.703  -4.199 -16.297
  188    HD2  ARG  20           2HD      ARG  20 -13.601  -2.769 -16.746
  189    HD3  ARG  20           3HD      ARG  20 -14.134  -4.231 -15.918
  190    HE   ARG  20           HE       ARG  20 -13.621  -2.068 -14.118
  191   HH11  ARG  20          1HH1      ARG  20 -15.967  -3.443 -16.292
  192   HH12  ARG  20          2HH1      ARG  20 -17.324  -2.729 -15.486
  193   HH21  ARG  20          1HH2      ARG  20 -15.400  -1.122 -13.049
  194   HH22  ARG  20          2HH2      ARG  20 -17.001  -1.409 -13.642
  195    H    ARG  21           H        ARG  21 -11.651  -6.118 -16.956
  196    HA   ARG  21           HA       ARG  21 -14.225  -7.294 -17.090
  197    HB2  ARG  21           2HB      ARG  21 -12.267  -6.308 -18.924
  198    HB3  ARG  21           3HB      ARG  21 -12.767  -7.910 -19.449
  199    HG2  ARG  21           2HG      ARG  21 -14.512  -6.940 -20.409
  200    HG3  ARG  21           3HG      ARG  21 -15.139  -6.633 -18.788
  201    HD2  ARG  21           2HD      ARG  21 -14.566  -4.439 -18.835
  202    HD3  ARG  21           3HD      ARG  21 -13.126  -4.726 -19.811
  203    HE   ARG  21           HE       ARG  21 -15.536  -5.145 -21.284
  204   HH11  ARG  21          1HH1      ARG  21 -13.336  -2.711 -20.120
  205   HH12  ARG  21          2HH1      ARG  21 -13.733  -1.572 -21.363
  206   HH21  ARG  21          1HH2      ARG  21 -16.067  -3.654 -22.926
  207   HH22  ARG  21          2HH2      ARG  21 -15.287  -2.108 -22.958
  Start of MODEL   10
    1    H1   LYS   1           H        LYS   1   2.378  -0.673   0.705
    2    HA   LYS   1           HA       LYS   1   2.672   1.005  -1.574
    3    HB2  LYS   1           2HB      LYS   1   4.304  -0.774  -0.067
    4    HB3  LYS   1           3HB      LYS   1   4.393  -1.268  -1.753
    5    HG2  LYS   1           2HG      LYS   1   5.976   0.281  -1.952
    6    HG3  LYS   1           3HG      LYS   1   4.659   1.456  -1.915
    7    HD2  LYS   1           2HD      LYS   1   5.037   2.008   0.293
    8    HD3  LYS   1           3HD      LYS   1   5.811   0.463   0.655
    9    HE2  LYS   1           2HE      LYS   1   7.653   1.262  -0.961
   10    HE3  LYS   1           3HE      LYS   1   6.943   2.861  -0.746
   11    HZ1  LYS   1           3HZ      LYS   1   8.780   1.637   0.894
   12    HZ2  LYS   1           1HZ      LYS   1   7.325   1.572   1.755
   13    HZ3  LYS   1           2HZ      LYS   1   7.923   3.059   1.217
   14    H    TYR   2           H        TYR   2   0.312  -0.835  -1.460
   15    HA   TYR   2           HA       TYR   2   0.788  -2.310  -3.966
   16    HB2  TYR   2           2HB      TYR   2   0.164  -3.731  -2.039
   17    HB3  TYR   2           3HB      TYR   2  -1.331  -2.818  -1.866
   18    HD1  TYR   2           HD1      TYR   2   0.114  -3.740  -5.127
   19    HD2  TYR   2           HD2      TYR   2  -2.812  -4.674  -2.183
   20    HE1  TYR   2           HE1      TYR   2  -0.991  -5.258  -6.715
   21    HE2  TYR   2           HE2      TYR   2  -3.924  -6.196  -3.762
   22    HH   TYR   2           HH       TYR   2  -3.531  -7.406  -5.741
   23    H    GLU   3           H        GLU   3  -0.005   0.561  -3.480
   24    HA   GLU   3           HA       GLU   3  -2.659   0.585  -4.725
   25    HB2  GLU   3           2HB      GLU   3  -1.035   2.817  -3.492
   26    HB3  GLU   3           3HB      GLU   3  -2.625   3.018  -4.216
   27    HG2  GLU   3           2HG      GLU   3  -2.893   0.942  -2.361
   28    HG3  GLU   3           3HG      GLU   3  -1.919   2.179  -1.568
   29    H    ILE   4           H        ILE   4   0.322   2.517  -5.065
   30    HA   ILE   4           HA       ILE   4  -0.011   2.341  -7.987
   31    HB   ILE   4           HB       ILE   4   1.126   4.772  -6.631
   32   HG12  ILE   4          2HG1      ILE   4  -1.152   4.503  -5.791
   33   HG13  ILE   4          3HG1      ILE   4  -1.075   5.849  -6.922
   34   HG21  ILE   4          1HG2      ILE   4   1.088   3.948  -9.257
   35   HG22  ILE   4          2HG2      ILE   4  -0.267   5.072  -9.166
   36   HG23  ILE   4          3HG2      ILE   4   1.348   5.598  -8.693
   37   HD11  ILE   4          3HD1      ILE   4  -2.731   4.947  -8.065
   38   HD12  ILE   4          1HD1      ILE   4  -1.718   3.547  -8.415
   39   HD13  ILE   4          2HD1      ILE   4  -2.747   3.555  -6.983
   40    H    THR   5           H        THR   5   1.717   0.983  -5.856
   41    HA   THR   5           HA       THR   5   4.318   1.541  -7.129
   42    HB   THR   5           HB       THR   5   3.645   0.909  -4.278
   43    HG1  THR   5           HG1      THR   5   5.645   2.620  -5.349
   44   HG21  THR   5          3HG2      THR   5   6.231   0.267  -5.689
   45   HG22  THR   5          1HG2      THR   5   5.206  -0.827  -4.761
   46   HG23  THR   5          2HG2      THR   5   6.101   0.452  -3.940
   47    H    THR   6           H        THR   6   2.664  -1.039  -5.295
   48    HA   THR   6           HA       THR   6   4.090  -3.041  -6.872
   49    HB   THR   6           HB       THR   6   2.231  -3.467  -4.526
   50    HG1  THR   6           HG1      THR   6   3.879  -2.915  -3.333
   51   HG21  THR   6          3HG2      THR   6   4.279  -5.303  -5.772
   52   HG22  THR   6          1HG2      THR   6   2.536  -5.423  -6.007
   53   HG23  THR   6          2HG2      THR   6   3.229  -5.676  -4.405
   54    H    ILE   7           H        ILE   7   1.040  -1.514  -6.712
   55    HA   ILE   7           HA       ILE   7  -0.643  -3.555  -7.660
   56    HB   ILE   7           HB       ILE   7  -0.964  -0.885  -6.978
   57   HG12  ILE   7          2HG1      ILE   7  -2.495  -2.864  -6.643
   58   HG13  ILE   7          3HG1      ILE   7  -3.304  -1.365  -7.084
   59   HG21  ILE   7          1HG2      ILE   7  -1.693  -1.280  -9.877
   60   HG22  ILE   7          2HG2      ILE   7  -2.168   0.097  -8.884
   61   HG23  ILE   7          3HG2      ILE   7  -0.465  -0.183  -9.245
   62   HD11  ILE   7          3HD1      ILE   7  -3.650  -3.819  -8.271
   63   HD12  ILE   7          1HD1      ILE   7  -4.150  -2.262  -8.929
   64   HD13  ILE   7          2HD1      ILE   7  -2.600  -2.961  -9.398
   65    H    HIS   8           H        HIS   8   1.580  -1.404  -9.291
   66    HA   HIS   8           HA       HIS   8   0.619  -2.093 -11.928
   67    HB2  HIS   8           2HB      HIS   8   2.332  -0.088 -10.791
   68    HB3  HIS   8           3HB      HIS   8   3.178  -0.901 -12.104
   69    HD1  HIS   8           HD1      HIS   8  -0.244   0.681 -11.553
   70    HD2  HIS   8           HD2      HIS   8   2.631   0.188 -14.512
   71    HE1  HIS   8           HE1      HIS   8  -1.101   1.957 -13.543
   72    H    ASN   9           H        ASN   9   2.271  -3.794  -9.716
   73    HA   ASN   9           HA       ASN   9   3.890  -5.182 -11.750
   74    HB2  ASN   9           2HB      ASN   9   4.496  -5.353  -8.815
   75    HB3  ASN   9           3HB      ASN   9   5.567  -5.627 -10.186
   76   HD21  ASN   9          1HD2      ASN   9   5.864  -3.903  -7.833
   77   HD22  ASN   9          2HD2      ASN   9   6.138  -2.312  -8.450
   78    H    LEU  10           H        LEU  10   1.616  -5.456  -9.121
   79    HA   LEU  10           HA       LEU  10   1.568  -8.373  -9.379
   80    HB2  LEU  10           2HB      LEU  10   1.666  -7.714  -7.126
   81    HB3  LEU  10           3HB      LEU  10   0.456  -6.454  -7.357
   82    HG   LEU  10           HG       LEU  10  -1.283  -8.150  -7.585
   83   HD11  LEU  10          1HD1      LEU  10   0.971  -9.886  -7.941
   84   HD12  LEU  10          2HD1      LEU  10  -0.742 -10.206  -8.211
   85   HD13  LEU  10          3HD1      LEU  10  -0.037 -10.466  -6.615
   86   HD21  LEU  10          3HD2      LEU  10  -0.061  -9.134  -5.127
   87   HD22  LEU  10          1HD2      LEU  10  -1.557  -8.231  -5.369
   88   HD23  LEU  10          2HD2      LEU  10  -0.016  -7.377  -5.276
   89    H    PHE  11           H        PHE  11   0.031  -5.678 -10.617
   90    HA   PHE  11           HA       PHE  11  -2.366  -7.259 -11.279
   91    HB2  PHE  11           2HB      PHE  11  -2.318  -4.870  -9.886
   92    HB3  PHE  11           3HB      PHE  11  -2.684  -4.366 -11.533
   93    HD1  PHE  11           HD1      PHE  11  -4.740  -5.051 -12.619
   94    HD2  PHE  11           HD2      PHE  11  -3.866  -6.209  -8.617
   95    HE1  PHE  11           HE1      PHE  11  -7.093  -5.695 -12.295
   96    HE2  PHE  11           HE2      PHE  11  -6.217  -6.856  -8.287
   97    HZ   PHE  11           HZ       PHE  11  -7.833  -6.600 -10.127
   98    H    ARG  12           H        ARG  12   0.419  -5.917 -12.462
   99    HA   ARG  12           HA       ARG  12  -0.186  -4.681 -14.837
  100    HB2  ARG  12           2HB      ARG  12   1.971  -5.806 -15.685
  101    HB3  ARG  12           3HB      ARG  12   2.083  -4.754 -14.280
  102    HG2  ARG  12           2HG      ARG  12   2.841  -6.401 -12.999
  103    HG3  ARG  12           3HG      ARG  12   1.560  -7.496 -13.523
  104    HD2  ARG  12           2HD      ARG  12   2.873  -8.502 -15.042
  105    HD3  ARG  12           3HD      ARG  12   3.615  -6.984 -15.546
  106    HE   ARG  12           HE       ARG  12   4.672  -8.864 -13.691
  107   HH11  ARG  12          1HH1      ARG  12   4.500  -5.465 -14.420
  108   HH12  ARG  12          2HH1      ARG  12   5.994  -5.086 -13.629
  109   HH21  ARG  12          1HH2      ARG  12   6.640  -8.379 -12.645
  110   HH22  ARG  12          2HH2      ARG  12   7.211  -6.745 -12.620
  111    H    LYS  13           H        LYS  13  -0.171  -8.134 -14.123
  112    HA   LYS  13           HA       LYS  13  -0.458  -9.125 -16.715
  113    HB2  LYS  13           2HB      LYS  13  -0.121 -10.342 -14.421
  114    HB3  LYS  13           3HB      LYS  13  -1.879 -10.408 -14.410
  115    HG2  LYS  13           2HG      LYS  13  -1.586 -11.406 -16.794
  116    HG3  LYS  13           3HG      LYS  13   0.055 -11.750 -16.241
  117    HD2  LYS  13           2HD      LYS  13  -0.736 -13.107 -14.463
  118    HD3  LYS  13           3HD      LYS  13  -2.398 -12.560 -14.694
  119    HE2  LYS  13           2HE      LYS  13  -2.781 -14.091 -16.275
  120    HE3  LYS  13           3HE      LYS  13  -1.268 -13.727 -17.103
  121    HZ1  LYS  13           3HZ      LYS  13  -1.183 -15.262 -14.602
  122    HZ2  LYS  13           1HZ      LYS  13  -0.137 -15.313 -15.931
  123    HZ3  LYS  13           2HZ      LYS  13  -1.657 -16.048 -16.024
  124    H    LEU  14           H        LEU  14  -2.970  -8.279 -14.339
  125    HA   LEU  14           HA       LEU  14  -5.137  -8.828 -16.095
  126    HB2  LEU  14           2HB      LEU  14  -4.960  -7.204 -13.565
  127    HB3  LEU  14           3HB      LEU  14  -6.468  -7.530 -14.416
  128    HG   LEU  14           HG       LEU  14  -4.670  -9.608 -13.167
  129   HD11  LEU  14          1HD1      LEU  14  -5.680  -8.492 -11.383
  130   HD12  LEU  14          2HD1      LEU  14  -6.738  -9.871 -11.682
  131   HD13  LEU  14          3HD1      LEU  14  -7.195  -8.269 -12.258
  132   HD21  LEU  14          3HD2      LEU  14  -6.472 -11.163 -13.660
  133   HD22  LEU  14          1HD2      LEU  14  -5.871 -10.423 -15.144
  134   HD23  LEU  14          2HD2      LEU  14  -7.393  -9.876 -14.440
  135    H    THR  15           H        THR  15  -3.520  -5.831 -15.091
  136    HA   THR  15           HA       THR  15  -5.087  -3.957 -16.347
  137    HB   THR  15           HB       THR  15  -3.182  -2.487 -16.405
  138    HG1  THR  15           HG1      THR  15  -1.510  -3.594 -17.238
  139   HG21  THR  15          3HG2      THR  15  -2.124  -3.506 -14.054
  140   HG22  THR  15          1HG2      THR  15  -3.762  -4.156 -14.098
  141   HG23  THR  15          2HG2      THR  15  -3.502  -2.414 -14.192
  142    H    HIS  16           H        HIS  16  -2.662  -6.074 -17.766
  143    HA   HIS  16           HA       HIS  16  -2.939  -4.830 -20.378
  144    HB2  HIS  16           2HB      HIS  16  -0.859  -6.130 -19.141
  145    HB3  HIS  16           3HB      HIS  16  -1.474  -7.369 -20.231
  146    HD1  HIS  16           HD1      HIS  16  -2.281  -5.260 -22.503
  147    HD2  HIS  16           HD2      HIS  16   1.418  -5.630 -20.648
  148    HE1  HIS  16           HE1      HIS  16  -0.620  -4.273 -24.112
  149    H    ARG  17           H        ARG  17  -4.103  -7.599 -18.632
  150    HA   ARG  17           HA       ARG  17  -5.296  -8.711 -21.070
  151    HB2  ARG  17           2HB      ARG  17  -4.619  -9.819 -18.383
  152    HB3  ARG  17           3HB      ARG  17  -5.954 -10.543 -19.270
  153    HG2  ARG  17           2HG      ARG  17  -3.826 -11.714 -19.629
  154    HG3  ARG  17           3HG      ARG  17  -4.499 -11.060 -21.123
  155    HD2  ARG  17           2HD      ARG  17  -2.832  -9.536 -21.367
  156    HD3  ARG  17           3HD      ARG  17  -2.622  -9.328 -19.629
  157    HE   ARG  17           HE       ARG  17  -1.698 -11.829 -20.058
  158   HH11  ARG  17          1HH1      ARG  17  -1.024  -8.753 -21.543
  159   HH12  ARG  17          2HH1      ARG  17   0.613  -9.157 -21.940
  160   HH21  ARG  17          1HH2      ARG  17   0.456 -12.372 -20.575
  161   HH22  ARG  17          2HH2      ARG  17   1.454 -11.215 -21.389
  162    H    LEU  18           H        LEU  18  -6.600  -9.094 -17.839
  163    HA   LEU  18           HA       LEU  18  -8.999  -7.602 -18.676
  164    HB2  LEU  18           2HB      LEU  18 -10.309  -9.201 -17.304
  165    HB3  LEU  18           3HB      LEU  18  -9.541  -9.922 -18.717
  166    HG   LEU  18           HG       LEU  18  -7.883 -10.172 -16.353
  167   HD11  LEU  18          1HD1      LEU  18 -10.542 -11.576 -16.244
  168   HD12  LEU  18          2HD1      LEU  18 -10.154 -10.143 -15.295
  169   HD13  LEU  18          3HD1      LEU  18  -9.239 -11.631 -15.057
  170   HD21  LEU  18          3HD2      LEU  18  -9.177 -12.279 -18.074
  171   HD22  LEU  18          1HD2      LEU  18  -7.731 -12.440 -17.077
  172   HD23  LEU  18          2HD2      LEU  18  -7.701 -11.417 -18.514
  173    H    PHE  19           H        PHE  19  -7.896  -5.797 -17.596
  174    HA   PHE  19           HA       PHE  19  -7.124  -5.663 -14.964
  175    HB2  PHE  19           2HB      PHE  19  -7.023  -3.835 -16.738
  176    HB3  PHE  19           3HB      PHE  19  -8.689  -3.461 -16.307
  177    HD1  PHE  19           HD2      PHE  19  -5.807  -4.395 -14.148
  178    HD2  PHE  19           HD1      PHE  19  -8.624  -1.403 -15.259
  179    HE1  PHE  19           HE2      PHE  19  -5.007  -2.965 -12.313
  180    HE2  PHE  19           HE1      PHE  19  -7.827   0.032 -13.426
  181    HZ   PHE  19           HZ       PHE  19  -6.017  -0.748 -11.950
  182    H    ARG  20           H        ARG  20 -10.366  -5.710 -16.281
  183    HA   ARG  20           HA       ARG  20 -11.430  -5.670 -13.533
  184    HB2  ARG  20           2HB      ARG  20 -12.251  -4.226 -15.944
  185    HB3  ARG  20           3HB      ARG  20 -13.577  -5.064 -15.149
  186    HG2  ARG  20           2HG      ARG  20 -13.581  -3.667 -13.393
  187    HG3  ARG  20           3HG      ARG  20 -11.821  -3.535 -13.361
  188    HD2  ARG  20           2HD      ARG  20 -12.213  -2.192 -15.589
  189    HD3  ARG  20           3HD      ARG  20 -13.823  -1.960 -14.908
  190    HE   ARG  20           HE       ARG  20 -11.919  -1.333 -12.950
  191   HH11  ARG  20          1HH1      ARG  20 -13.108  -0.136 -15.995
  192   HH12  ARG  20          2HH1      ARG  20 -12.735   1.518 -15.639
  193   HH21  ARG  20          1HH2      ARG  20 -11.423   0.841 -12.469
  194   HH22  ARG  20          2HH2      ARG  20 -11.776   2.072 -13.634
  195    H    ARG  21           H        ARG  21 -12.827  -6.545 -16.683
  196    HA   ARG  21           HA       ARG  21 -14.346  -8.673 -15.760
  197    HB2  ARG  21           2HB      ARG  21 -14.388  -9.433 -18.135
  198    HB3  ARG  21           3HB      ARG  21 -14.762  -7.726 -17.931
  199    HG2  ARG  21           2HG      ARG  21 -11.955  -8.006 -18.325
  200    HG3  ARG  21           3HG      ARG  21 -12.807  -8.905 -19.583
  201    HD2  ARG  21           2HD      ARG  21 -14.054  -6.961 -20.215
  202    HD3  ARG  21           3HD      ARG  21 -13.429  -6.053 -18.840
  203    HE   ARG  21           HE       ARG  21 -11.547  -5.599 -20.052
  204   HH11  ARG  21          1HH1      ARG  21 -13.208  -8.287 -21.514
  205   HH12  ARG  21          2HH1      ARG  21 -12.168  -8.345 -22.899
  206   HH21  ARG  21          1HH2      ARG  21 -10.170  -5.666 -21.870
  207   HH22  ARG  21          2HH2      ARG  21 -10.440  -6.855 -23.099
  Start of MODEL   11
    1    H1   LYS   1           H        LYS   1   1.329   1.271   0.049
    2    HA   LYS   1           HA       LYS   1   2.617   1.409  -1.833
    3    HB2  LYS   1           2HB      LYS   1   4.312  -0.463  -2.236
    4    HB3  LYS   1           3HB      LYS   1   4.526   0.513  -0.788
    5    HG2  LYS   1           2HG      LYS   1   3.723  -1.200   0.612
    6    HG3  LYS   1           3HG      LYS   1   3.075  -2.115  -0.752
    7    HD2  LYS   1           2HD      LYS   1   5.471  -2.305  -1.573
    8    HD3  LYS   1           3HD      LYS   1   5.956  -1.698   0.012
    9    HE2  LYS   1           2HE      LYS   1   4.124  -3.728   0.546
   10    HE3  LYS   1           3HE      LYS   1   5.114  -4.349  -0.773
   11    HZ1  LYS   1           3HZ      LYS   1   7.058  -3.517   0.677
   12    HZ2  LYS   1           1HZ      LYS   1   6.295  -4.970   1.087
   13    HZ3  LYS   1           2HZ      LYS   1   5.934  -3.555   1.940
   14    H    TYR   2           H        TYR   2   0.003   0.021  -1.617
   15    HA   TYR   2           HA       TYR   2   0.200  -1.638  -4.046
   16    HB2  TYR   2           2HB      TYR   2  -0.623  -2.602  -1.704
   17    HB3  TYR   2           3HB      TYR   2  -2.149  -1.900  -2.231
   18    HD1  TYR   2           HD2      TYR   2  -1.775  -2.408  -5.212
   19    HD2  TYR   2           HD1      TYR   2  -1.214  -4.896  -1.807
   20    HE1  TYR   2           HE2      TYR   2  -2.212  -4.392  -6.598
   21    HE2  TYR   2           HE1      TYR   2  -1.648  -6.888  -3.183
   22    HH   TYR   2           HH       TYR   2  -1.631  -6.854  -6.521
   23    H    GLU   3           H        GLU   3   0.006   1.136  -4.210
   24    HA   GLU   3           HA       GLU   3  -2.757   1.485  -5.176
   25    HB2  GLU   3           2HB      GLU   3  -2.331   3.962  -4.811
   26    HB3  GLU   3           3HB      GLU   3  -2.522   2.983  -3.363
   27    HG2  GLU   3           2HG      GLU   3  -0.035   2.873  -3.203
   28    HG3  GLU   3           3HG      GLU   3   0.043   4.031  -4.531
   29    H    ILE   4           H        ILE   4   0.606   2.540  -5.654
   30    HA   ILE   4           HA       ILE   4   0.030   2.741  -8.537
   31    HB   ILE   4           HB       ILE   4   1.829   4.513  -8.610
   32   HG12  ILE   4          2HG1      ILE   4   1.276   5.071  -5.735
   33   HG13  ILE   4          3HG1      ILE   4   2.441   3.806  -6.113
   34   HG21  ILE   4          1HG2      ILE   4  -0.864   4.852  -7.390
   35   HG22  ILE   4          2HG2      ILE   4   0.209   6.247  -7.480
   36   HG23  ILE   4          3HG2      ILE   4  -0.256   5.396  -8.953
   37   HD11  ILE   4          3HD1      ILE   4   3.126   5.971  -7.739
   38   HD12  ILE   4          1HD1      ILE   4   2.762   6.651  -6.154
   39   HD13  ILE   4          2HD1      ILE   4   3.976   5.382  -6.311
   40    H    THR   5           H        THR   5   1.805   1.244  -6.137
   41    HA   THR   5           HA       THR   5   4.069   0.647  -7.905
   42    HB   THR   5           HB       THR   5   3.676   0.207  -4.944
   43    HG1  THR   5           HG1      THR   5   4.948   1.912  -4.766
   44   HG21  THR   5          3HG2      THR   5   5.999  -0.638  -6.680
   45   HG22  THR   5          1HG2      THR   5   4.866  -1.715  -5.865
   46   HG23  THR   5          2HG2      THR   5   5.959  -0.704  -4.919
   47    H    THR   6           H        THR   6   2.481  -1.325  -5.415
   48    HA   THR   6           HA       THR   6   2.862  -3.741  -6.822
   49    HB   THR   6           HB       THR   6   0.792  -3.293  -4.672
   50    HG1  THR   6           HG1      THR   6   3.607  -3.519  -4.514
   51   HG21  THR   6          3HG2      THR   6   2.451  -5.746  -4.894
   52   HG22  THR   6          1HG2      THR   6   1.184  -5.510  -6.097
   53   HG23  THR   6          2HG2      THR   6   0.774  -5.557  -4.382
   54    H    ILE   7           H        ILE   7   0.292  -1.391  -6.812
   55    HA   ILE   7           HA       ILE   7  -1.742  -3.006  -7.930
   56    HB   ILE   7           HB       ILE   7  -1.450  -0.274  -7.181
   57   HG12  ILE   7          2HG1      ILE   7  -3.919  -1.759  -8.099
   58   HG13  ILE   7          3HG1      ILE   7  -3.207  -1.924  -6.497
   59   HG21  ILE   7          1HG2      ILE   7  -1.159   0.235  -9.537
   60   HG22  ILE   7          2HG2      ILE   7  -2.627  -0.660  -9.929
   61   HG23  ILE   7          3HG2      ILE   7  -2.725   0.818  -8.972
   62   HD11  ILE   7          3HD1      ILE   7  -5.174  -0.169  -7.194
   63   HD12  ILE   7          1HD1      ILE   7  -4.133  -0.033  -5.777
   64   HD13  ILE   7          2HD1      ILE   7  -3.728   0.839  -7.257
   65    H    HIS   8           H        HIS   8   0.974  -1.317  -9.297
   66    HA   HIS   8           HA       HIS   8   0.044  -2.024 -12.002
   67    HB2  HIS   8           2HB      HIS   8   1.188   0.388 -10.942
   68    HB3  HIS   8           3HB      HIS   8   2.257  -0.270 -12.178
   69    HD1  HIS   8           HD1      HIS   8   0.867  -0.921 -14.504
   70    HD2  HIS   8           HD2      HIS   8  -0.769   1.936 -11.969
   71    HE1  HIS   8           HE1      HIS   8  -0.774   0.365 -15.910
   72    H    ASN   9           H        ASN   9   1.932  -3.188  -9.649
   73    HA   ASN   9           HA       ASN   9   4.045  -4.110 -11.480
   74    HB2  ASN   9           2HB      ASN   9   5.157  -3.110  -9.692
   75    HB3  ASN   9           3HB      ASN   9   3.974  -3.669  -8.513
   76   HD21  ASN   9          1HD2      ASN   9   5.304  -4.703  -7.134
   77   HD22  ASN   9          2HD2      ASN   9   6.259  -6.081  -7.552
   78    H    LEU  10           H        LEU  10   1.592  -5.130  -9.184
   79    HA   LEU  10           HA       LEU  10   2.142  -7.938  -9.858
   80    HB2  LEU  10           2HB      LEU  10   2.199  -7.566  -7.506
   81    HB3  LEU  10           3HB      LEU  10   0.680  -6.673  -7.553
   82    HG   LEU  10           HG       LEU  10  -0.550  -8.701  -7.999
   83   HD11  LEU  10          1HD1      LEU  10   1.177  -9.803  -9.375
   84   HD12  LEU  10          2HD1      LEU  10   0.504 -10.865  -8.139
   85   HD13  LEU  10          3HD1      LEU  10   2.096 -10.141  -7.909
   86   HD21  LEU  10          3HD2      LEU  10   0.984  -8.221  -5.637
   87   HD22  LEU  10          1HD2      LEU  10   0.819  -9.960  -5.881
   88   HD23  LEU  10          2HD2      LEU  10  -0.619  -8.942  -5.795
   89    H    PHE  11           H        PHE  11   0.198  -5.448 -10.774
   90    HA   PHE  11           HA       PHE  11  -1.985  -7.275 -11.538
   91    HB2  PHE  11           2HB      PHE  11  -2.179  -4.946 -10.012
   92    HB3  PHE  11           3HB      PHE  11  -2.722  -4.468 -11.617
   93    HD1  PHE  11           HD1      PHE  11  -3.326  -6.797  -8.824
   94    HD2  PHE  11           HD2      PHE  11  -4.810  -5.175 -12.468
   95    HE1  PHE  11           HE1      PHE  11  -5.524  -7.805  -8.373
   96    HE2  PHE  11           HE2      PHE  11  -7.011  -6.179 -12.023
   97    HZ   PHE  11           HZ       PHE  11  -7.371  -7.496  -9.973
   98    H    ARG  12           H        ARG  12   0.588  -5.513 -12.648
   99    HA   ARG  12           HA       ARG  12  -0.203  -4.199 -14.921
  100    HB2  ARG  12           2HB      ARG  12   2.052  -4.998 -15.874
  101    HB3  ARG  12           3HB      ARG  12   2.070  -4.043 -14.398
  102    HG2  ARG  12           2HG      ARG  12   2.446  -5.978 -13.060
  103    HG3  ARG  12           3HG      ARG  12   2.180  -7.047 -14.438
  104    HD2  ARG  12           2HD      ARG  12   4.586  -6.674 -13.798
  105    HD3  ARG  12           3HD      ARG  12   4.187  -6.347 -15.483
  106    HE   ARG  12           HE       ARG  12   4.015  -4.001 -13.874
  107   HH11  ARG  12          1HH1      ARG  12   6.243  -6.109 -15.520
  108   HH12  ARG  12          2HH1      ARG  12   7.448  -4.882 -15.735
  109   HH21  ARG  12          1HH2      ARG  12   5.593  -2.378 -14.150
  110   HH22  ARG  12          2HH2      ARG  12   7.078  -2.761 -14.954
  111    H    LYS  13           H        LYS  13   0.137  -7.660 -14.424
  112    HA   LYS  13           HA       LYS  13  -0.088  -8.469 -17.111
  113    HB2  LYS  13           2HB      LYS  13  -0.753 -10.668 -16.168
  114    HB3  LYS  13           3HB      LYS  13   0.702 -10.011 -15.428
  115    HG2  LYS  13           2HG      LYS  13  -1.050  -9.064 -13.687
  116    HG3  LYS  13           3HG      LYS  13  -1.994 -10.437 -14.270
  117    HD2  LYS  13           2HD      LYS  13   0.330 -11.682 -13.891
  118    HD3  LYS  13           3HD      LYS  13   0.533 -10.382 -12.713
  119    HE2  LYS  13           2HE      LYS  13  -1.916 -11.089 -12.032
  120    HE3  LYS  13           3HE      LYS  13  -1.435 -12.617 -12.769
  121    HZ1  LYS  13           3HZ      LYS  13  -0.716 -12.980 -10.667
  122    HZ2  LYS  13           1HZ      LYS  13  -0.462 -11.342 -10.330
  123    HZ3  LYS  13           2HZ      LYS  13   0.668 -12.201 -11.250
  124    H    LEU  14           H        LEU  14  -2.520  -7.925 -14.598
  125    HA   LEU  14           HA       LEU  14  -4.708  -8.709 -16.282
  126    HB2  LEU  14           2HB      LEU  14  -4.603  -7.283 -13.632
  127    HB3  LEU  14           3HB      LEU  14  -6.099  -7.744 -14.440
  128    HG   LEU  14           HG       LEU  14  -3.986  -9.596 -13.345
  129   HD11  LEU  14          1HD1      LEU  14  -6.652  -8.663 -12.429
  130   HD12  LEU  14          2HD1      LEU  14  -5.198  -9.027 -11.501
  131   HD13  LEU  14          3HD1      LEU  14  -6.202 -10.340 -12.117
  132   HD21  LEU  14          3HD2      LEU  14  -4.861 -10.523 -15.398
  133   HD22  LEU  14          1HD2      LEU  14  -6.515 -10.215 -14.867
  134   HD23  LEU  14          2HD2      LEU  14  -5.524 -11.403 -14.019
  135    H    THR  15           H        THR  15  -3.472  -5.614 -15.047
  136    HA   THR  15           HA       THR  15  -5.326  -3.885 -16.118
  137    HB   THR  15           HB       THR  15  -3.677  -2.148 -16.016
  138    HG1  THR  15           HG1      THR  15  -1.865  -4.300 -16.266
  139   HG21  THR  15          3HG2      THR  15  -2.398  -3.304 -13.813
  140   HG22  THR  15          1HG2      THR  15  -3.975  -4.088 -13.901
  141   HG23  THR  15          2HG2      THR  15  -3.868  -2.330 -13.801
  142    H    HIS  16           H        HIS  16  -2.621  -5.466 -17.722
  143    HA   HIS  16           HA       HIS  16  -3.102  -4.045 -20.206
  144    HB2  HIS  16           2HB      HIS  16  -0.831  -5.019 -19.147
  145    HB3  HIS  16           3HB      HIS  16  -1.290  -6.396 -20.144
  146    HD1  HIS  16           HD1      HIS  16  -0.100  -6.302 -22.296
  147    HD2  HIS  16           HD2      HIS  16  -1.155  -2.511 -20.965
  148    HE1  HIS  16           HE1      HIS  16   0.700  -4.717 -24.078
  149    H    ARG  17           H        ARG  17  -3.904  -7.074 -18.723
  150    HA   ARG  17           HA       ARG  17  -4.941  -8.116 -21.261
  151    HB2  ARG  17           2HB      ARG  17  -4.413  -9.438 -18.599
  152    HB3  ARG  17           3HB      ARG  17  -5.250 -10.240 -19.922
  153    HG2  ARG  17           2HG      ARG  17  -3.317 -10.143 -21.308
  154    HG3  ARG  17           3HG      ARG  17  -2.480  -9.096 -20.160
  155    HD2  ARG  17           2HD      ARG  17  -1.549 -11.050 -19.506
  156    HD3  ARG  17           3HD      ARG  17  -3.027 -11.171 -18.553
  157    HE   ARG  17           HE       ARG  17  -3.263 -12.303 -21.181
  158   HH11  ARG  17          1HH1      ARG  17  -2.263 -12.888 -17.898
  159   HH12  ARG  17          2HH1      ARG  17  -2.465 -14.606 -18.005
  160   HH21  ARG  17          1HH2      ARG  17  -3.534 -14.563 -21.334
  161   HH22  ARG  17          2HH2      ARG  17  -3.188 -15.557 -19.959
  162    H    LEU  18           H        LEU  18  -6.179  -8.953 -18.092
  163    HA   LEU  18           HA       LEU  18  -8.750  -7.705 -18.811
  164    HB2  LEU  18           2HB      LEU  18  -9.846  -9.580 -17.613
  165    HB3  LEU  18           3HB      LEU  18  -8.991 -10.063 -19.076
  166    HG   LEU  18           HG       LEU  18  -7.355 -10.314 -16.679
  167   HD11  LEU  18          1HD1      LEU  18  -8.512 -12.163 -15.684
  168   HD12  LEU  18          2HD1      LEU  18  -9.791 -12.073 -16.894
  169   HD13  LEU  18          3HD1      LEU  18  -9.598 -10.774 -15.718
  170   HD21  LEU  18          3HD2      LEU  18  -6.869 -11.239 -18.940
  171   HD22  LEU  18          1HD2      LEU  18  -8.222 -12.349 -18.726
  172   HD23  LEU  18          2HD2      LEU  18  -6.829 -12.441 -17.649
  173    H    PHE  19           H        PHE  19  -7.884  -5.887 -17.552
  174    HA   PHE  19           HA       PHE  19  -7.134  -5.913 -14.909
  175    HB2  PHE  19           2HB      PHE  19  -7.262  -3.926 -16.509
  176    HB3  PHE  19           3HB      PHE  19  -8.956  -3.797 -16.048
  177    HD1  PHE  19           HD1      PHE  19  -5.963  -4.583 -13.985
  178    HD2  PHE  19           HD2      PHE  19  -9.127  -1.856 -14.805
  179    HE1  PHE  19           HE1      PHE  19  -5.320  -3.250 -12.018
  180    HE2  PHE  19           HE2      PHE  19  -8.489  -0.519 -12.841
  181    HZ   PHE  19           HZ       PHE  19  -6.583  -1.215 -11.445
  182    H    ARG  20           H        ARG  20 -10.401  -5.973 -16.249
  183    HA   ARG  20           HA       ARG  20 -11.419  -6.541 -13.542
  184    HB2  ARG  20           2HB      ARG  20 -12.888  -5.193 -15.817
  185    HB3  ARG  20           3HB      ARG  20 -13.550  -5.541 -14.225
  186    HG2  ARG  20           2HG      ARG  20 -12.840  -3.570 -13.524
  187    HG3  ARG  20           3HG      ARG  20 -11.176  -4.077 -13.822
  188    HD2  ARG  20           2HD      ARG  20 -11.159  -3.146 -15.972
  189    HD3  ARG  20           3HD      ARG  20 -12.917  -3.030 -16.029
  190    HE   ARG  20           HE       ARG  20 -12.173  -1.412 -13.952
  191   HH11  ARG  20          1HH1      ARG  20 -11.407  -1.611 -17.342
  192   HH12  ARG  20          2HH1      ARG  20 -11.130   0.091 -17.513
  193   HH21  ARG  20          1HH2      ARG  20 -11.811   0.830 -14.164
  194   HH22  ARG  20          2HH2      ARG  20 -11.358   1.478 -15.704
  195    H    ARG  21           H        ARG  21 -11.569  -7.315 -16.964
  196    HA   ARG  21           HA       ARG  21 -13.639  -9.190 -16.919
  197    HB2  ARG  21           2HB      ARG  21 -11.368  -8.568 -18.707
  198    HB3  ARG  21           3HB      ARG  21 -12.024 -10.194 -18.847
  199    HG2  ARG  21           2HG      ARG  21 -13.768  -9.463 -20.000
  200    HG3  ARG  21           3HG      ARG  21 -14.144  -8.252 -18.773
  201    HD2  ARG  21           2HD      ARG  21 -12.912  -6.613 -19.820
  202    HD3  ARG  21           3HD      ARG  21 -11.867  -7.775 -20.637
  203    HE   ARG  21           HE       ARG  21 -13.364  -7.854 -22.370
  204   HH11  ARG  21          1HH1      ARG  21 -14.868  -6.340 -19.619
  205   HH12  ARG  21          2HH1      ARG  21 -16.280  -5.851 -20.496
  206   HH21  ARG  21          1HH2      ARG  21 -15.218  -7.215 -23.535
  207   HH22  ARG  21          2HH2      ARG  21 -16.478  -6.350 -22.723
  Start of MODEL   12
    1    H1   LYS   1           H        LYS   1   2.447  -1.040   0.490
    2    HA   LYS   1           HA       LYS   1   2.011   1.221  -1.348
    3    HB2  LYS   1           2HB      LYS   1   4.440  -0.474  -0.812
    4    HB3  LYS   1           3HB      LYS   1   4.282   0.464  -2.292
    5    HG2  LYS   1           2HG      LYS   1   3.685   2.278  -0.294
    6    HG3  LYS   1           3HG      LYS   1   5.004   1.317   0.378
    7    HD2  LYS   1           2HD      LYS   1   6.103   1.692  -1.952
    8    HD3  LYS   1           3HD      LYS   1   4.963   3.034  -2.072
    9    HE2  LYS   1           2HE      LYS   1   6.681   4.146  -1.092
   10    HE3  LYS   1           3HE      LYS   1   5.915   3.524   0.369
   11    HZ1  LYS   1           3HZ      LYS   1   8.038   2.858   0.735
   12    HZ2  LYS   1           1HZ      LYS   1   8.416   2.715  -0.908
   13    HZ3  LYS   1           2HZ      LYS   1   7.511   1.510  -0.140
   14    H    TYR   2           H        TYR   2   0.183  -0.823  -1.410
   15    HA   TYR   2           HA       TYR   2   0.901  -2.258  -3.883
   16    HB2  TYR   2           2HB      TYR   2   0.615  -3.756  -1.918
   17    HB3  TYR   2           3HB      TYR   2  -1.038  -3.175  -1.749
   18    HD1  TYR   2           HD2      TYR   2   0.569  -3.805  -5.004
   19    HD2  TYR   2           HD1      TYR   2  -2.097  -5.303  -2.046
   20    HE1  TYR   2           HE2      TYR   2  -0.195  -5.535  -6.577
   21    HE2  TYR   2           HE1      TYR   2  -2.868  -7.038  -3.609
   22    HH   TYR   2           HH       TYR   2  -1.567  -7.243  -6.911
   23    H    GLU   3           H        GLU   3  -0.127   0.323  -3.961
   24    HA   GLU   3           HA       GLU   3  -2.866  -0.144  -4.944
   25    HB2  GLU   3           2HB      GLU   3  -1.702   2.361  -3.717
   26    HB3  GLU   3           3HB      GLU   3  -3.288   2.267  -4.469
   27    HG2  GLU   3           2HG      GLU   3  -3.033   0.191  -2.522
   28    HG3  GLU   3           3HG      GLU   3  -2.602   1.740  -1.800
   29    H    ILE   4           H        ILE   4  -0.077   2.042  -5.341
   30    HA   ILE   4           HA       ILE   4  -0.588   2.003  -8.242
   31    HB   ILE   4           HB       ILE   4   0.420   4.371  -6.661
   32   HG12  ILE   4          2HG1      ILE   4  -1.973   3.930  -6.272
   33   HG13  ILE   4          3HG1      ILE   4  -1.730   5.412  -7.190
   34   HG21  ILE   4          1HG2      ILE   4   1.389   4.566  -8.763
   35   HG22  ILE   4          2HG2      ILE   4  -0.008   3.867  -9.580
   36   HG23  ILE   4          3HG2      ILE   4  -0.098   5.501  -8.923
   37   HD11  ILE   4          3HD1      ILE   4  -2.440   2.760  -8.415
   38   HD12  ILE   4          1HD1      ILE   4  -3.607   4.013  -7.994
   39   HD13  ILE   4          2HD1      ILE   4  -2.378   4.328  -9.220
   40    H    THR   5           H        THR   5   1.487   1.133  -5.849
   41    HA   THR   5           HA       THR   5   3.907   1.582  -7.452
   42    HB   THR   5           HB       THR   5   3.492   0.918  -4.547
   43    HG1  THR   5           HG1      THR   5   3.623   3.146  -5.452
   44   HG21  THR   5          3HG2      THR   5   5.983   0.579  -6.200
   45   HG22  THR   5          1HG2      THR   5   5.229  -0.579  -5.105
   46   HG23  THR   5          2HG2      THR   5   6.041   0.847  -4.459
   47    H    THR   6           H        THR   6   2.865  -1.025  -5.259
   48    HA   THR   6           HA       THR   6   4.211  -3.000  -6.856
   49    HB   THR   6           HB       THR   6   2.399  -3.327  -4.457
   50    HG1  THR   6           HG1      THR   6   5.222  -3.198  -4.781
   51   HG21  THR   6          3HG2      THR   6   4.140  -5.510  -4.693
   52   HG22  THR   6          1HG2      THR   6   3.468  -5.261  -6.303
   53   HG23  THR   6          2HG2      THR   6   2.393  -5.506  -4.927
   54    H    ILE   7           H        ILE   7   1.015  -1.719  -6.649
   55    HA   ILE   7           HA       ILE   7  -0.444  -3.904  -7.671
   56    HB   ILE   7           HB       ILE   7  -0.957  -1.118  -7.097
   57   HG12  ILE   7          2HG1      ILE   7  -1.946  -3.163  -6.011
   58   HG13  ILE   7          3HG1      ILE   7  -3.124  -1.950  -6.499
   59   HG21  ILE   7          1HG2      ILE   7  -1.163  -0.832  -9.482
   60   HG22  ILE   7          2HG2      ILE   7  -2.212  -2.244  -9.595
   61   HG23  ILE   7          3HG2      ILE   7  -2.768  -0.798  -8.752
   62   HD11  ILE   7          3HD1      ILE   7  -3.197  -4.643  -7.075
   63   HD12  ILE   7          1HD1      ILE   7  -4.163  -3.380  -7.837
   64   HD13  ILE   7          2HD1      ILE   7  -2.651  -3.903  -8.580
   65    H    HIS   8           H        HIS   8   1.584  -1.525  -9.183
   66    HA   HIS   8           HA       HIS   8   0.621  -2.156 -11.852
   67    HB2  HIS   8           2HB      HIS   8   2.058   0.013 -10.637
   68    HB3  HIS   8           3HB      HIS   8   2.986  -0.612 -11.997
   69    HD1  HIS   8           HD1      HIS   8   0.618  -1.304 -13.881
   70    HD2  HIS   8           HD2      HIS   8   1.013   2.261 -11.784
   71    HE1  HIS   8           HE1      HIS   8  -0.756   0.377 -15.149
   72    H    ASN   9           H        ASN   9   2.518  -3.722  -9.747
   73    HA   ASN   9           HA       ASN   9   4.272  -4.783 -11.865
   74    HB2  ASN   9           2HB      ASN   9   4.904  -4.768  -8.909
   75    HB3  ASN   9           3HB      ASN   9   5.982  -5.207 -10.231
   76   HD21  ASN   9          1HD2      ASN   9   5.951  -3.078  -8.058
   77   HD22  ASN   9          2HD2      ASN   9   6.321  -1.620  -8.908
   78    H    LEU  10           H        LEU  10   2.120  -5.462  -9.211
   79    HA   LEU  10           HA       LEU  10   2.459  -8.349  -9.613
   80    HB2  LEU  10           2HB      LEU  10   2.625  -7.702  -7.325
   81    HB3  LEU  10           3HB      LEU  10   1.150  -6.743  -7.429
   82    HG   LEU  10           HG       LEU  10  -0.182  -8.764  -7.620
   83   HD11  LEU  10          1HD1      LEU  10   0.768 -10.961  -7.493
   84   HD12  LEU  10          2HD1      LEU  10   2.392 -10.299  -7.305
   85   HD13  LEU  10          3HD1      LEU  10   1.529 -10.098  -8.829
   86   HD21  LEU  10          3HD2      LEU  10  -0.251  -8.850  -5.403
   87   HD22  LEU  10          1HD2      LEU  10   1.255  -7.934  -5.356
   88   HD23  LEU  10          2HD2      LEU  10   1.295  -9.697  -5.344
   89    H    PHE  11           H        PHE  11   0.520  -5.818 -10.601
   90    HA   PHE  11           HA       PHE  11  -1.691  -7.663 -11.226
   91    HB2  PHE  11           2HB      PHE  11  -1.847  -5.340  -9.701
   92    HB3  PHE  11           3HB      PHE  11  -2.442  -4.853 -11.284
   93    HD1  PHE  11           HD1      PHE  11  -2.985  -7.103  -8.432
   94    HD2  PHE  11           HD2      PHE  11  -4.525  -5.653 -12.125
   95    HE1  PHE  11           HE1      PHE  11  -5.167  -8.115  -7.915
   96    HE2  PHE  11           HE2      PHE  11  -6.710  -6.661 -11.614
   97    HZ   PHE  11           HZ       PHE  11  -7.034  -7.893  -9.507
   98    H    ARG  12           H        ARG  12   0.811  -5.886 -12.467
   99    HA   ARG  12           HA       ARG  12  -0.093  -4.594 -14.709
  100    HB2  ARG  12           2HB      ARG  12   2.120  -5.384 -15.761
  101    HB3  ARG  12           3HB      ARG  12   2.202  -4.423 -14.291
  102    HG2  ARG  12           2HG      ARG  12   2.850  -6.220 -12.993
  103    HG3  ARG  12           3HG      ARG  12   2.196  -7.404 -14.127
  104    HD2  ARG  12           2HD      ARG  12   4.247  -5.768 -15.349
  105    HD3  ARG  12           3HD      ARG  12   4.843  -6.584 -13.904
  106    HE   ARG  12           HE       ARG  12   3.403  -8.349 -15.624
  107   HH11  ARG  12          1HH1      ARG  12   6.482  -6.803 -15.124
  108   HH12  ARG  12          2HH1      ARG  12   7.378  -8.022 -15.970
  109   HH21  ARG  12          1HH2      ARG  12   4.571  -9.960 -16.739
  110   HH22  ARG  12          2HH2      ARG  12   6.289  -9.816 -16.888
  111    H    LYS  13           H        LYS  13   0.363  -8.056 -14.239
  112    HA   LYS  13           HA       LYS  13   0.025  -8.905 -16.880
  113    HB2  LYS  13           2HB      LYS  13  -0.691 -11.073 -15.867
  114    HB3  LYS  13           3HB      LYS  13   0.818 -10.445 -15.216
  115    HG2  LYS  13           2HG      LYS  13  -0.472  -9.538 -13.288
  116    HG3  LYS  13           3HG      LYS  13  -1.896 -10.368 -13.918
  117    HD2  LYS  13           2HD      LYS  13   0.448 -12.093 -13.719
  118    HD3  LYS  13           3HD      LYS  13  -0.058 -11.425 -12.165
  119    HE2  LYS  13           2HE      LYS  13  -1.961 -12.755 -14.080
  120    HE3  LYS  13           3HE      LYS  13  -1.095 -13.637 -12.823
  121    HZ1  LYS  13           3HZ      LYS  13  -2.112 -12.132 -11.182
  122    HZ2  LYS  13           1HZ      LYS  13  -3.261 -13.039 -12.031
  123    HZ3  LYS  13           2HZ      LYS  13  -3.016 -11.411 -12.416
  124    H    LEU  14           H        LEU  14  -2.373  -8.359 -14.324
  125    HA   LEU  14           HA       LEU  14  -4.585  -9.095 -15.998
  126    HB2  LEU  14           2HB      LEU  14  -4.207  -8.867 -13.302
  127    HB3  LEU  14           3HB      LEU  14  -5.155  -7.425 -13.660
  128    HG   LEU  14           HG       LEU  14  -6.926  -8.806 -14.605
  129   HD11  LEU  14          1HD1      LEU  14  -6.473 -10.833 -15.373
  130   HD12  LEU  14          2HD1      LEU  14  -6.240 -11.383 -13.714
  131   HD13  LEU  14          3HD1      LEU  14  -4.866 -10.789 -14.647
  132   HD21  LEU  14          3HD2      LEU  14  -7.315 -10.212 -12.405
  133   HD22  LEU  14          1HD2      LEU  14  -7.424  -8.451 -12.405
  134   HD23  LEU  14          2HD2      LEU  14  -5.957  -9.244 -11.828
  135    H    THR  15           H        THR  15  -3.281  -6.037 -14.748
  136    HA   THR  15           HA       THR  15  -5.148  -4.275 -15.762
  137    HB   THR  15           HB       THR  15  -3.516  -2.549 -15.599
  138    HG1  THR  15           HG1      THR  15  -1.800  -3.356 -16.757
  139   HG21  THR  15          3HG2      THR  15  -2.151  -3.873 -13.509
  140   HG22  THR  15          1HG2      THR  15  -3.782  -4.540 -13.563
  141   HG23  THR  15          2HG2      THR  15  -3.546  -2.801 -13.386
  142    H    HIS  16           H        HIS  16  -2.359  -5.716 -17.393
  143    HA   HIS  16           HA       HIS  16  -2.847  -4.279 -19.843
  144    HB2  HIS  16           2HB      HIS  16  -0.564  -4.985 -19.088
  145    HB3  HIS  16           3HB      HIS  16  -1.033  -6.655 -19.390
  146    HD1  HIS  16           HD1      HIS  16  -1.460  -7.309 -21.916
  147    HD2  HIS  16           HD2      HIS  16   0.212  -3.554 -21.310
  148    HE1  HIS  16           HE1      HIS  16  -0.565  -6.602 -24.157
  149    H    ARG  17           H        ARG  17  -3.733  -7.337 -18.460
  150    HA   ARG  17           HA       ARG  17  -4.727  -8.335 -21.019
  151    HB2  ARG  17           2HB      ARG  17  -4.458  -9.578 -18.285
  152    HB3  ARG  17           3HB      ARG  17  -5.329 -10.365 -19.595
  153    HG2  ARG  17           2HG      ARG  17  -3.321 -10.418 -20.943
  154    HG3  ARG  17           3HG      ARG  17  -2.435  -9.542 -19.693
  155    HD2  ARG  17           2HD      ARG  17  -2.428 -11.356 -18.248
  156    HD3  ARG  17           3HD      ARG  17  -3.805 -12.119 -19.041
  157    HE   ARG  17           HE       ARG  17  -1.914 -12.176 -20.959
  158   HH11  ARG  17          1HH1      ARG  17  -1.917 -13.140 -17.614
  159   HH12  ARG  17          2HH1      ARG  17  -0.755 -14.404 -17.842
  160   HH21  ARG  17          1HH2      ARG  17  -0.382 -13.837 -21.272
  161   HH22  ARG  17          2HH2      ARG  17   0.119 -14.799 -19.922
  162    H    LEU  18           H        LEU  18  -6.320  -9.098 -18.021
  163    HA   LEU  18           HA       LEU  18  -8.676  -7.562 -18.896
  164    HB2  LEU  18           2HB      LEU  18 -10.065  -9.389 -17.950
  165    HB3  LEU  18           3HB      LEU  18  -9.122  -9.855 -19.364
  166    HG   LEU  18           HG       LEU  18  -7.733 -10.447 -16.884
  167   HD11  LEU  18          1HD1      LEU  18 -10.081 -10.680 -16.101
  168   HD12  LEU  18          2HD1      LEU  18  -9.166 -12.187 -16.074
  169   HD13  LEU  18          3HD1      LEU  18 -10.335 -11.889 -17.359
  170   HD21  LEU  18          3HD2      LEU  18  -7.339 -12.527 -17.954
  171   HD22  LEU  18          1HD2      LEU  18  -7.256 -11.289 -19.207
  172   HD23  LEU  18          2HD2      LEU  18  -8.697 -12.295 -19.057
  173    H    PHE  19           H        PHE  19  -7.669  -5.962 -17.408
  174    HA   PHE  19           HA       PHE  19  -7.227  -6.227 -14.728
  175    HB2  PHE  19           2HB      PHE  19  -7.045  -4.132 -16.202
  176    HB3  PHE  19           3HB      PHE  19  -8.743  -3.864 -15.821
  177    HD1  PHE  19           HD1      PHE  19  -5.722  -4.874 -13.870
  178    HD2  PHE  19           HD2      PHE  19  -9.043  -2.238 -14.242
  179    HE1  PHE  19           HE1      PHE  19  -5.069  -3.761 -11.775
  180    HE2  PHE  19           HE2      PHE  19  -8.395  -1.120 -12.149
  181    HZ   PHE  19           HZ       PHE  19  -6.405  -1.880 -10.912
  182    H    ARG  20           H        ARG  20 -10.330  -4.981 -15.965
  183    HA   ARG  20           HA       ARG  20 -11.645  -6.248 -13.655
  184    HB2  ARG  20           2HB      ARG  20 -13.448  -4.522 -14.054
  185    HB3  ARG  20           3HB      ARG  20 -11.906  -3.894 -13.486
  186    HG2  ARG  20           2HG      ARG  20 -11.634  -2.642 -15.303
  187    HG3  ARG  20           3HG      ARG  20 -12.072  -3.967 -16.383
  188    HD2  ARG  20           2HD      ARG  20 -14.255  -3.350 -16.476
  189    HD3  ARG  20           3HD      ARG  20 -14.264  -2.740 -14.821
  190    HE   ARG  20           HE       ARG  20 -12.675  -1.025 -16.321
  191   HH11  ARG  20          1HH1      ARG  20 -16.001  -2.047 -16.202
  192   HH12  ARG  20          2HH1      ARG  20 -16.619  -0.549 -16.815
  193   HH21  ARG  20          1HH2      ARG  20 -13.476   0.951 -17.129
  194   HH22  ARG  20          2HH2      ARG  20 -15.182   1.155 -17.343
  195    H    ARG  21           H        ARG  21 -11.603  -5.924 -17.109
  196    HA   ARG  21           HA       ARG  21 -14.166  -7.141 -17.544
  197    HB2  ARG  21           2HB      ARG  21 -11.873  -6.340 -19.302
  198    HB3  ARG  21           3HB      ARG  21 -13.149  -7.370 -19.938
  199    HG2  ARG  21           2HG      ARG  21 -14.795  -5.703 -19.584
  200    HG3  ARG  21           3HG      ARG  21 -13.683  -4.719 -18.630
  201    HD2  ARG  21           2HD      ARG  21 -12.246  -4.723 -20.799
  202    HD3  ARG  21           3HD      ARG  21 -13.760  -5.171 -21.584
  203    HE   ARG  21           HE       ARG  21 -14.480  -3.020 -21.318
  204   HH11  ARG  21          1HH1      ARG  21 -11.817  -3.589 -19.150
  205   HH12  ARG  21          2HH1      ARG  21 -11.709  -1.937 -18.640
  206   HH21  ARG  21          1HH2      ARG  21 -14.349  -0.842 -20.655
  207   HH22  ARG  21          2HH2      ARG  21 -13.151  -0.376 -19.495
  Start of MODEL   13
    1    H1   LYS   1           H        LYS   1   3.012  -1.501   0.174
    2    HA   LYS   1           HA       LYS   1   1.996   0.401  -0.787
    3    HB2  LYS   1           2HB      LYS   1   4.642   0.657  -1.812
    4    HB3  LYS   1           3HB      LYS   1   3.526   0.762  -3.167
    5    HG2  LYS   1           2HG      LYS   1   3.370   2.919  -2.634
    6    HG3  LYS   1           3HG      LYS   1   2.330   2.375  -1.315
    7    HD2  LYS   1           2HD      LYS   1   4.427   2.151   0.078
    8    HD3  LYS   1           3HD      LYS   1   5.276   2.997  -1.218
    9    HE2  LYS   1           2HE      LYS   1   4.693   4.885  -0.184
   10    HE3  LYS   1           3HE      LYS   1   3.056   4.573  -0.761
   11    HZ1  LYS   1           3HZ      LYS   1   4.011   3.405   1.774
   12    HZ2  LYS   1           1HZ      LYS   1   2.422   3.690   1.269
   13    HZ3  LYS   1           2HZ      LYS   1   3.410   4.985   1.723
   14    H    TYR   2           H        TYR   2   0.186  -0.413  -1.603
   15    HA   TYR   2           HA       TYR   2   0.370  -2.104  -4.010
   16    HB2  TYR   2           2HB      TYR   2  -0.528  -3.019  -1.677
   17    HB3  TYR   2           3HB      TYR   2  -2.019  -2.269  -2.236
   18    HD1  TYR   2           HD2      TYR   2  -1.633  -2.811  -5.202
   19    HD2  TYR   2           HD1      TYR   2  -1.175  -5.294  -1.777
   20    HE1  TYR   2           HE2      TYR   2  -2.114  -4.791  -6.579
   21    HE2  TYR   2           HE1      TYR   2  -1.654  -7.281  -3.145
   22    HH   TYR   2           HH       TYR   2  -2.822  -7.037  -6.392
   23    H    GLU   3           H        GLU   3   0.279   0.667  -4.214
   24    HA   GLU   3           HA       GLU   3  -2.456   1.107  -5.223
   25    HB2  GLU   3           2HB      GLU   3  -1.936   3.572  -4.888
   26    HB3  GLU   3           3HB      GLU   3  -2.190   2.622  -3.430
   27    HG2  GLU   3           2HG      GLU   3   0.290   2.412  -3.232
   28    HG3  GLU   3           3HG      GLU   3   0.432   3.555  -4.567
   29    H    ILE   4           H        ILE   4   0.949   2.037  -5.669
   30    HA   ILE   4           HA       ILE   4   0.421   2.208  -8.563
   31    HB   ILE   4           HB       ILE   4   2.279   3.919  -8.638
   32   HG12  ILE   4          2HG1      ILE   4   1.762   4.737  -5.867
   33   HG13  ILE   4          3HG1      ILE   4   2.643   3.220  -6.004
   34   HG21  ILE   4          1HG2      ILE   4  -0.419   4.368  -7.461
   35   HG22  ILE   4          2HG2      ILE   4   0.701   5.725  -7.564
   36   HG23  ILE   4          3HG2      ILE   4   0.227   4.861  -9.026
   37   HD11  ILE   4          3HD1      ILE   4   4.300   4.842  -5.882
   38   HD12  ILE   4          1HD1      ILE   4   4.185   4.484  -7.605
   39   HD13  ILE   4          2HD1      ILE   4   3.435   5.942  -6.955
   40    H    THR   5           H        THR   5   2.109   0.692  -6.114
   41    HA   THR   5           HA       THR   5   4.382  -0.003  -7.833
   42    HB   THR   5           HB       THR   5   3.919  -0.389  -4.875
   43    HG1  THR   5           HG1      THR   5   6.034   0.858  -5.020
   44   HG21  THR   5          3HG2      THR   5   6.228  -1.359  -6.563
   45   HG22  THR   5          1HG2      THR   5   5.049  -2.370  -5.729
   46   HG23  THR   5          2HG2      THR   5   6.174  -1.379  -4.801
   47    H    THR   6           H        THR   6   2.672  -1.888  -5.356
   48    HA   THR   6           HA       THR   6   3.000  -4.333  -6.731
   49    HB   THR   6           HB       THR   6   0.911  -3.794  -4.621
   50    HG1  THR   6           HG1      THR   6   3.712  -4.040  -4.430
   51   HG21  THR   6          3HG2      THR   6   2.495  -6.302  -4.807
   52   HG22  THR   6          1HG2      THR   6   1.236  -6.035  -6.011
   53   HG23  THR   6          2HG2      THR   6   0.826  -6.055  -4.296
   54    H    ILE   7           H        ILE   7   0.516  -1.895  -6.793
   55    HA   ILE   7           HA       ILE   7  -1.561  -3.445  -7.917
   56    HB   ILE   7           HB       ILE   7  -1.169  -0.713  -7.218
   57   HG12  ILE   7          2HG1      ILE   7  -3.683  -2.102  -8.163
   58   HG13  ILE   7          3HG1      ILE   7  -3.009  -2.281  -6.547
   59   HG21  ILE   7          1HG2      ILE   7  -0.809  -0.271  -9.582
   60   HG22  ILE   7          2HG2      ILE   7  -2.312  -1.100  -9.981
   61   HG23  ILE   7          3HG2      ILE   7  -2.352   0.400  -9.055
   62   HD11  ILE   7          3HD1      ILE   7  -3.783  -0.293  -5.870
   63   HD12  ILE   7          1HD1      ILE   7  -3.439   0.487  -7.413
   64   HD13  ILE   7          2HD1      ILE   7  -4.899  -0.484  -7.222
   65    H    HIS   8           H        HIS   8   1.242  -1.895  -9.276
   66    HA   HIS   8           HA       HIS   8   0.329  -2.631 -11.978
   67    HB2  HIS   8           2HB      HIS   8   1.542  -0.236 -10.956
   68    HB3  HIS   8           3HB      HIS   8   2.606  -0.962 -12.157
   69    HD1  HIS   8           HD1      HIS   8  -0.230   1.226 -11.868
   70    HD2  HIS   8           HD2      HIS   8   1.129  -1.503 -14.690
   71    HE1  HIS   8           HE1      HIS   8  -1.428   1.812 -14.000
   72    H    ASN   9           H        ASN   9   2.157  -3.783  -9.560
   73    HA   ASN   9           HA       ASN   9   4.264  -4.822 -11.331
   74    HB2  ASN   9           2HB      ASN   9   5.368  -3.831  -9.533
   75    HB3  ASN   9           3HB      ASN   9   4.139  -4.332  -8.374
   76   HD21  ASN   9          1HD2      ASN   9   5.412  -5.380  -6.949
   77   HD22  ASN   9          2HD2      ASN   9   6.324  -6.800  -7.323
   78    H    LEU  10           H        LEU  10   1.738  -5.724  -9.061
   79    HA   LEU  10           HA       LEU  10   2.199  -8.558  -9.692
   80    HB2  LEU  10           2HB      LEU  10   2.227  -8.108  -7.336
   81    HB3  LEU  10           3HB      LEU  10   0.701  -7.234  -7.440
   82    HG   LEU  10           HG       LEU  10  -0.502  -9.274  -7.852
   83   HD11  LEU  10          1HD1      LEU  10   1.182 -11.382  -7.461
   84   HD12  LEU  10          2HD1      LEU  10   2.174 -10.299  -8.437
   85   HD13  LEU  10          3HD1      LEU  10   0.599 -10.825  -9.030
   86   HD21  LEU  10          3HD2      LEU  10   0.921  -8.706  -5.485
   87   HD22  LEU  10          1HD2      LEU  10   0.969 -10.455  -5.709
   88   HD23  LEU  10          2HD2      LEU  10  -0.581  -9.614  -5.662
   89    H    PHE  11           H        PHE  11   0.361  -6.017 -10.679
   90    HA   PHE  11           HA       PHE  11  -1.867  -7.779 -11.461
   91    HB2  PHE  11           2HB      PHE  11  -2.000  -5.407  -9.974
   92    HB3  PHE  11           3HB      PHE  11  -2.542  -4.968 -11.591
   93    HD1  PHE  11           HD2      PHE  11  -3.153  -7.265  -8.761
   94    HD2  PHE  11           HD1      PHE  11  -4.666  -5.600 -12.375
   95    HE1  PHE  11           HE2      PHE  11  -5.366  -8.220  -8.270
   96    HE2  PHE  11           HE1      PHE  11  -6.882  -6.552 -11.889
   97    HZ   PHE  11           HZ       PHE  11  -7.234  -7.865  -9.836
   98    H    ARG  12           H        ARG  12   0.819  -6.408 -12.604
   99    HA   ARG  12           HA       ARG  12   0.081  -5.000 -14.902
  100    HB2  ARG  12           2HB      ARG  12   2.306  -5.303 -15.653
  101    HB3  ARG  12           3HB      ARG  12   2.399  -5.229 -13.899
  102    HG2  ARG  12           2HG      ARG  12   3.734  -7.021 -14.222
  103    HG3  ARG  12           3HG      ARG  12   2.186  -7.868 -14.180
  104    HD2  ARG  12           2HD      ARG  12   2.581  -8.643 -16.222
  105    HD3  ARG  12           3HD      ARG  12   2.570  -6.988 -16.832
  106    HE   ARG  12           HE       ARG  12   4.846  -7.087 -17.017
  107   HH11  ARG  12          1HH1      ARG  12   3.772  -9.648 -14.917
  108   HH12  ARG  12          2HH1      ARG  12   5.334 -10.387 -14.804
  109   HH21  ARG  12          1HH2      ARG  12   6.908  -8.051 -16.876
  110   HH22  ARG  12          2HH2      ARG  12   7.118  -9.478 -15.918
  111    H    LYS  13           H        LYS  13   0.052  -8.395 -14.206
  112    HA   LYS  13           HA       LYS  13  -0.131  -9.217 -16.965
  113    HB2  LYS  13           2HB      LYS  13  -0.323 -11.441 -16.129
  114    HB3  LYS  13           3HB      LYS  13   0.870 -10.622 -15.131
  115    HG2  LYS  13           2HG      LYS  13  -1.348 -10.142 -13.689
  116    HG3  LYS  13           3HG      LYS  13  -1.783 -11.685 -14.428
  117    HD2  LYS  13           2HD      LYS  13   0.884 -11.938 -13.569
  118    HD3  LYS  13           3HD      LYS  13   0.008 -11.157 -12.250
  119    HE2  LYS  13           2HE      LYS  13  -0.944 -13.653 -13.643
  120    HE3  LYS  13           3HE      LYS  13   0.042 -13.669 -12.182
  121    HZ1  LYS  13           3HZ      LYS  13  -2.759 -12.913 -12.524
  122    HZ2  LYS  13           1HZ      LYS  13  -1.862 -12.068 -11.366
  123    HZ3  LYS  13           2HZ      LYS  13  -2.012 -13.749 -11.257
  124    H    LEU  14           H        LEU  14  -2.244  -7.783 -14.847
  125    HA   LEU  14           HA       LEU  14  -4.586  -9.017 -16.139
  126    HB2  LEU  14           2HB      LEU  14  -4.233  -7.736 -13.447
  127    HB3  LEU  14           3HB      LEU  14  -5.826  -7.954 -14.169
  128    HG   LEU  14           HG       LEU  14  -3.885 -10.148 -13.443
  129   HD11  LEU  14          1HD1      LEU  14  -5.632 -10.739 -11.790
  130   HD12  LEU  14          2HD1      LEU  14  -6.477  -9.247 -12.199
  131   HD13  LEU  14          3HD1      LEU  14  -4.870  -9.180 -11.476
  132   HD21  LEU  14          3HD2      LEU  14  -5.948 -11.572 -13.924
  133   HD22  LEU  14          1HD2      LEU  14  -5.061 -10.937 -15.310
  134   HD23  LEU  14          2HD2      LEU  14  -6.564 -10.169 -14.800
  135    H    THR  15           H        THR  15  -3.326  -5.925 -14.917
  136    HA   THR  15           HA       THR  15  -5.262  -4.214 -15.879
  137    HB   THR  15           HB       THR  15  -3.652  -2.443 -15.791
  138    HG1  THR  15           HG1      THR  15  -1.639  -2.765 -16.355
  139   HG21  THR  15          3HG2      THR  15  -2.265  -3.650 -13.669
  140   HG22  THR  15          1HG2      THR  15  -3.849  -4.422 -13.713
  141   HG23  THR  15          2HG2      THR  15  -3.727  -2.668 -13.575
  142    H    HIS  16           H        HIS  16  -2.564  -5.682 -17.604
  143    HA   HIS  16           HA       HIS  16  -3.164  -4.227 -20.039
  144    HB2  HIS  16           2HB      HIS  16  -1.033  -6.107 -19.144
  145    HB3  HIS  16           3HB      HIS  16  -1.354  -5.999 -20.872
  146    HD1  HIS  16           HD1      HIS  16  -0.874  -3.695 -22.019
  147    HD2  HIS  16           HD2      HIS  16   0.290  -3.938 -18.038
  148    HE1  HIS  16           HE1      HIS  16   0.644  -1.726 -21.641
  149    H    ARG  17           H        ARG  17  -3.781  -7.348 -18.626
  150    HA   ARG  17           HA       ARG  17  -4.868  -8.369 -21.142
  151    HB2  ARG  17           2HB      ARG  17  -4.257  -9.652 -18.486
  152    HB3  ARG  17           3HB      ARG  17  -5.200 -10.475 -19.720
  153    HG2  ARG  17           2HG      ARG  17  -3.022 -11.253 -20.018
  154    HG3  ARG  17           3HG      ARG  17  -3.234 -10.038 -21.279
  155    HD2  ARG  17           2HD      ARG  17  -2.267  -8.777 -18.903
  156    HD3  ARG  17           3HD      ARG  17  -1.239 -10.157 -19.287
  157    HE   ARG  17           HE       ARG  17  -1.816  -8.434 -21.527
  158   HH11  ARG  17          1HH1      ARG  17   0.318  -9.084 -18.854
  159   HH12  ARG  17          2HH1      ARG  17   1.662  -8.243 -19.553
  160   HH21  ARG  17          1HH2      ARG  17  -0.054  -7.323 -22.457
  161   HH22  ARG  17          2HH2      ARG  17   1.449  -7.241 -21.602
  162    H    LEU  18           H        LEU  18  -6.118  -9.242 -17.994
  163    HA   LEU  18           HA       LEU  18  -8.687  -7.985 -18.703
  164    HB2  LEU  18           2HB      LEU  18  -9.787  -9.884 -17.547
  165    HB3  LEU  18           3HB      LEU  18  -8.925 -10.336 -19.016
  166    HG   LEU  18           HG       LEU  18  -7.302 -10.634 -16.614
  167   HD11  LEU  18          1HD1      LEU  18  -9.709 -12.422 -16.884
  168   HD12  LEU  18          2HD1      LEU  18  -9.575 -11.119 -15.704
  169   HD13  LEU  18          3HD1      LEU  18  -8.456 -12.481 -15.643
  170   HD21  LEU  18          3HD2      LEU  18  -6.734 -12.713 -17.631
  171   HD22  LEU  18          1HD2      LEU  18  -6.825 -11.505 -18.913
  172   HD23  LEU  18          2HD2      LEU  18  -8.147 -12.650 -18.686
  173    H    PHE  19           H        PHE  19  -7.787  -6.198 -17.401
  174    HA   PHE  19           HA       PHE  19  -7.070  -6.279 -14.753
  175    HB2  PHE  19           2HB      PHE  19  -7.180  -4.261 -16.323
  176    HB3  PHE  19           3HB      PHE  19  -8.871  -4.126 -15.853
  177    HD1  PHE  19           HD2      PHE  19  -5.849  -4.954 -13.843
  178    HD2  PHE  19           HD1      PHE  19  -9.048  -2.235 -14.545
  179    HE1  PHE  19           HE2      PHE  19  -5.188  -3.667 -11.853
  180    HE2  PHE  19           HE1      PHE  19  -8.391  -0.943 -12.557
  181    HZ   PHE  19           HZ       PHE  19  -6.459  -1.659 -11.207
  182    H    ARG  20           H        ARG  20 -10.362  -5.375 -15.784
  183    HA   ARG  20           HA       ARG  20 -11.367  -6.554 -13.283
  184    HB2  ARG  20           2HB      ARG  20 -13.261  -5.061 -13.467
  185    HB3  ARG  20           3HB      ARG  20 -11.775  -4.130 -13.598
  186    HG2  ARG  20           2HG      ARG  20 -12.123  -4.404 -16.151
  187    HG3  ARG  20           3HG      ARG  20 -13.788  -4.783 -15.704
  188    HD2  ARG  20           2HD      ARG  20 -13.597  -2.602 -14.283
  189    HD3  ARG  20           3HD      ARG  20 -12.264  -2.234 -15.376
  190    HE   ARG  20           HE       ARG  20 -14.691  -2.999 -16.716
  191   HH11  ARG  20          1HH1      ARG  20 -12.891  -0.365 -15.323
  192   HH12  ARG  20          2HH1      ARG  20 -13.679   0.849 -16.276
  193   HH21  ARG  20          1HH2      ARG  20 -15.736  -1.410 -17.975
  194   HH22  ARG  20          2HH2      ARG  20 -15.298   0.253 -17.783
  195    H    ARG  21           H        ARG  21 -11.684  -6.549 -16.760
  196    HA   ARG  21           HA       ARG  21 -14.092  -7.899 -17.074
  197    HB2  ARG  21           2HB      ARG  21 -11.592  -8.154 -18.757
  198    HB3  ARG  21           3HB      ARG  21 -13.211  -8.632 -19.251
  199    HG2  ARG  21           2HG      ARG  21 -12.553  -5.817 -18.450
  200    HG3  ARG  21           3HG      ARG  21 -12.349  -6.405 -20.102
  201    HD2  ARG  21           2HD      ARG  21 -14.740  -7.074 -20.100
  202    HD3  ARG  21           3HD      ARG  21 -14.906  -6.338 -18.506
  203    HE   ARG  21           HE       ARG  21 -13.872  -4.363 -20.099
  204   HH11  ARG  21          1HH1      ARG  21 -16.706  -6.384 -20.155
  205   HH12  ARG  21          2HH1      ARG  21 -17.688  -5.209 -20.965
  206   HH21  ARG  21          1HH2      ARG  21 -15.155  -2.807 -21.166
  207   HH22  ARG  21          2HH2      ARG  21 -16.804  -3.175 -21.541
  Start of MODEL   14
    1    H1   LYS   1           H        LYS   1   1.250  -1.008   0.145
    2    HA   LYS   1           HA       LYS   1   2.021   1.157  -1.364
    3    HB2  LYS   1           2HB      LYS   1   4.152  -0.989  -1.401
    4    HB3  LYS   1           3HB      LYS   1   4.094   0.420  -2.453
    5    HG2  LYS   1           2HG      LYS   1   4.475   1.897  -0.622
    6    HG3  LYS   1           3HG      LYS   1   4.282   0.587   0.545
    7    HD2  LYS   1           2HD      LYS   1   6.261  -0.463  -0.881
    8    HD3  LYS   1           3HD      LYS   1   6.576   1.239  -1.229
    9    HE2  LYS   1           2HE      LYS   1   6.216   0.171   1.562
   10    HE3  LYS   1           3HE      LYS   1   7.786   0.264   0.766
   11    HZ1  LYS   1           3HZ      LYS   1   7.091   2.194   2.252
   12    HZ2  LYS   1           1HZ      LYS   1   6.044   2.638   0.999
   13    HZ3  LYS   1           2HZ      LYS   1   7.712   2.575   0.725
   14    H    TYR   2           H        TYR   2  -0.144  -0.373  -1.485
   15    HA   TYR   2           HA       TYR   2   0.191  -1.938  -3.961
   16    HB2  TYR   2           2HB      TYR   2  -0.580  -3.047  -1.665
   17    HB3  TYR   2           3HB      TYR   2  -2.148  -2.437  -2.183
   18    HD1  TYR   2           HD2      TYR   2  -1.802  -2.805  -5.156
   19    HD2  TYR   2           HD1      TYR   2  -0.913  -5.370  -1.880
   20    HE1  TYR   2           HE2      TYR   2  -2.083  -4.761  -6.619
   21    HE2  TYR   2           HE1      TYR   2  -1.190  -7.334  -3.334
   22    HH   TYR   2           HH       TYR   2  -2.741  -7.389  -6.074
   23    H    GLU   3           H        GLU   3  -0.189   0.807  -4.050
   24    HA   GLU   3           HA       GLU   3  -2.985   1.026  -4.957
   25    HB2  GLU   3           2HB      GLU   3  -2.627   3.526  -4.621
   26    HB3  GLU   3           3HB      GLU   3  -2.762   2.544  -3.168
   27    HG2  GLU   3           2HG      GLU   3  -0.256   2.499  -3.086
   28    HG3  GLU   3           3HG      GLU   3  -0.265   3.695  -4.381
   29    H    ILE   4           H        ILE   4   0.301   2.262  -5.550
   30    HA   ILE   4           HA       ILE   4  -0.365   2.372  -8.418
   31    HB   ILE   4           HB       ILE   4  -0.161   4.643  -7.302
   32   HG12  ILE   4          2HG1      ILE   4   1.749   3.965  -9.549
   33   HG13  ILE   4          3HG1      ILE   4   0.038   4.337  -9.725
   34   HG21  ILE   4          1HG2      ILE   4   2.787   4.040  -7.319
   35   HG22  ILE   4          2HG2      ILE   4   1.974   5.473  -6.692
   36   HG23  ILE   4          3HG2      ILE   4   1.785   3.923  -5.872
   37   HD11  ILE   4          3HD1      ILE   4   0.639   6.577  -8.613
   38   HD12  ILE   4          1HD1      ILE   4   2.300   6.159  -9.034
   39   HD13  ILE   4          2HD1      ILE   4   1.082   6.316 -10.300
   40    H    THR   5           H        THR   5   1.619   1.119  -6.018
   41    HA   THR   5           HA       THR   5   3.913   0.709  -7.776
   42    HB   THR   5           HB       THR   5   3.446   0.143  -4.854
   43    HG1  THR   5           HG1      THR   5   5.502   1.485  -4.919
   44   HG21  THR   5          3HG2      THR   5   5.758  -0.736  -6.583
   45   HG22  THR   5          1HG2      THR   5   4.673  -1.762  -5.646
   46   HG23  THR   5          2HG2      THR   5   5.805  -0.691  -4.820
   47    H    THR   6           H        THR   6   2.246  -1.476  -5.511
   48    HA   THR   6           HA       THR   6   2.881  -3.779  -7.066
   49    HB   THR   6           HB       THR   6   0.878  -3.527  -4.814
   50    HG1  THR   6           HG1      THR   6   2.862  -4.596  -3.757
   51   HG21  THR   6          3HG2      THR   6   2.303  -5.947  -5.926
   52   HG22  THR   6          1HG2      THR   6   0.600  -5.559  -6.168
   53   HG23  THR   6          2HG2      THR   6   1.198  -5.933  -4.551
   54    H    ILE   7           H        ILE   7   0.284  -1.523  -7.070
   55    HA   ILE   7           HA       ILE   7  -1.766  -3.136  -8.135
   56    HB   ILE   7           HB       ILE   7  -1.593  -0.519  -7.332
   57   HG12  ILE   7          2HG1      ILE   7  -3.564  -2.028  -7.266
   58   HG13  ILE   7          3HG1      ILE   7  -3.966  -0.410  -7.829
   59   HG21  ILE   7          1HG2      ILE   7  -2.065  -0.527 -10.310
   60   HG22  ILE   7          2HG2      ILE   7  -2.276   0.854  -9.235
   61   HG23  ILE   7          3HG2      ILE   7  -0.671   0.167  -9.483
   62   HD11  ILE   7          3HD1      ILE   7  -3.592  -2.855  -9.541
   63   HD12  ILE   7          1HD1      ILE   7  -5.119  -2.068  -9.143
   64   HD13  ILE   7          2HD1      ILE   7  -3.930  -1.232 -10.142
   65    H    HIS   8           H        HIS   8   0.983  -1.559  -9.583
   66    HA   HIS   8           HA       HIS   8   0.070  -2.448 -12.240
   67    HB2  HIS   8           2HB      HIS   8   1.159   0.055 -11.345
   68    HB3  HIS   8           3HB      HIS   8   2.247  -0.665 -12.528
   69    HD1  HIS   8           HD1      HIS   8   1.432  -0.811 -14.952
   70    HD2  HIS   8           HD2      HIS   8  -1.375   0.791 -12.341
   71    HE1  HIS   8           HE1      HIS   8  -0.368   0.163 -16.414
   72    H    ASN   9           H        ASN   9   1.981  -3.396  -9.803
   73    HA   ASN   9           HA       ASN   9   4.141  -4.371 -11.543
   74    HB2  ASN   9           2HB      ASN   9   5.288  -3.398  -9.817
   75    HB3  ASN   9           3HB      ASN   9   3.986  -3.662  -8.661
   76   HD21  ASN   9          1HD2      ASN   9   4.844  -4.770  -7.050
   77   HD22  ASN   9          2HD2      ASN   9   5.774  -6.218  -7.204
   78    H    LEU  10           H        LEU  10   1.653  -5.359  -9.269
   79    HA   LEU  10           HA       LEU  10   2.247  -8.175  -9.884
   80    HB2  LEU  10           2HB      LEU  10   2.371  -7.732  -7.533
   81    HB3  LEU  10           3HB      LEU  10   0.810  -6.914  -7.557
   82    HG   LEU  10           HG       LEU  10  -0.340  -8.992  -7.899
   83   HD11  LEU  10          1HD1      LEU  10   2.373 -10.302  -8.000
   84   HD12  LEU  10          2HD1      LEU  10   1.308 -10.043  -9.381
   85   HD13  LEU  10          3HD1      LEU  10   0.811 -11.119  -8.075
   86   HD21  LEU  10          3HD2      LEU  10  -0.269  -9.315  -5.707
   87   HD22  LEU  10          1HD2      LEU  10   1.243  -8.410  -5.625
   88   HD23  LEU  10          2HD2      LEU  10   1.274 -10.157  -5.866
   89    H    PHE  11           H        PHE  11   0.269  -5.737 -10.817
   90    HA   PHE  11           HA       PHE  11  -1.920  -7.597 -11.472
   91    HB2  PHE  11           2HB      PHE  11  -2.089  -5.224  -9.989
   92    HB3  PHE  11           3HB      PHE  11  -2.726  -4.820 -11.580
   93    HD1  PHE  11           HD1      PHE  11  -3.085  -7.165  -8.741
   94    HD2  PHE  11           HD2      PHE  11  -4.867  -5.512 -12.235
   95    HE1  PHE  11           HE1      PHE  11  -5.227  -8.216  -8.142
   96    HE2  PHE  11           HE2      PHE  11  -7.012  -6.560 -11.641
   97    HZ   PHE  11           HZ       PHE  11  -7.195  -7.914  -9.592
   98    H    ARG  12           H        ARG  12   0.648  -6.144 -12.753
   99    HA   ARG  12           HA       ARG  12  -0.252  -4.767 -15.013
  100    HB2  ARG  12           2HB      ARG  12   1.939  -4.942 -15.842
  101    HB3  ARG  12           3HB      ARG  12   2.130  -4.968 -14.094
  102    HG2  ARG  12           2HG      ARG  12   2.050  -7.445 -15.796
  103    HG3  ARG  12           3HG      ARG  12   3.537  -6.611 -15.340
  104    HD2  ARG  12           2HD      ARG  12   2.502  -6.849 -12.920
  105    HD3  ARG  12           3HD      ARG  12   1.649  -8.196 -13.673
  106    HE   ARG  12           HE       ARG  12   3.591  -9.377 -13.576
  107   HH11  ARG  12          1HH1      ARG  12   4.369  -5.984 -13.529
  108   HH12  ARG  12          2HH1      ARG  12   6.070  -6.244 -13.328
  109   HH21  ARG  12          1HH2      ARG  12   5.828  -9.732 -13.311
  110   HH22  ARG  12          2HH2      ARG  12   6.899  -8.376 -13.205
  111    H    LYS  13           H        LYS  13  -0.178  -8.148 -14.296
  112    HA   LYS  13           HA       LYS  13  -0.439  -9.002 -17.040
  113    HB2  LYS  13           2HB      LYS  13  -0.801 -11.247 -16.043
  114    HB3  LYS  13           3HB      LYS  13   0.679 -10.477 -15.487
  115    HG2  LYS  13           2HG      LYS  13   0.007 -10.458 -13.360
  116    HG3  LYS  13           3HG      LYS  13  -1.625  -9.934 -13.782
  117    HD2  LYS  13           2HD      LYS  13  -1.853 -12.083 -12.820
  118    HD3  LYS  13           3HD      LYS  13  -2.044 -12.305 -14.560
  119    HE2  LYS  13           2HE      LYS  13  -0.624 -14.043 -13.935
  120    HE3  LYS  13           3HE      LYS  13   0.474 -12.815 -14.563
  121    HZ1  LYS  13           3HZ      LYS  13   1.526 -12.830 -12.633
  122    HZ2  LYS  13           1HZ      LYS  13   0.458 -13.992 -12.022
  123    HZ3  LYS  13           2HZ      LYS  13   0.117 -12.346 -11.831
  124    H    LEU  14           H        LEU  14  -2.506  -7.606 -14.843
  125    HA   LEU  14           HA       LEU  14  -4.865  -8.880 -16.064
  126    HB2  LEU  14           2HB      LEU  14  -4.444  -7.630 -13.368
  127    HB3  LEU  14           3HB      LEU  14  -6.057  -7.869 -14.037
  128    HG   LEU  14           HG       LEU  14  -4.050 -10.033 -13.408
  129   HD11  LEU  14          1HD1      LEU  14  -6.549  -9.078 -12.043
  130   HD12  LEU  14          2HD1      LEU  14  -4.928  -9.250 -11.371
  131   HD13  LEU  14          3HD1      LEU  14  -5.873 -10.684 -11.772
  132   HD21  LEU  14          3HD2      LEU  14  -6.827 -10.156 -14.569
  133   HD22  LEU  14          1HD2      LEU  14  -5.971 -11.547 -13.904
  134   HD23  LEU  14          2HD2      LEU  14  -5.326 -10.706 -15.314
  135    H    THR  15           H        THR  15  -3.639  -5.776 -14.831
  136    HA   THR  15           HA       THR  15  -5.640  -4.097 -15.704
  137    HB   THR  15           HB       THR  15  -4.065  -2.292 -15.649
  138    HG1  THR  15           HG1      THR  15  -2.184  -2.668 -16.534
  139   HG21  THR  15          3HG2      THR  15  -2.587  -3.483 -13.585
  140   HG22  THR  15          1HG2      THR  15  -4.146  -4.305 -13.591
  141   HG23  THR  15          2HG2      THR  15  -4.076  -2.550 -13.434
  142    H    HIS  16           H        HIS  16  -2.985  -5.495 -17.544
  143    HA   HIS  16           HA       HIS  16  -3.702  -4.016 -19.936
  144    HB2  HIS  16           2HB      HIS  16  -1.327  -5.009 -19.035
  145    HB3  HIS  16           3HB      HIS  16  -1.803  -6.257 -20.182
  146    HD1  HIS  16           HD1      HIS  16  -0.640  -5.838 -22.314
  147    HD2  HIS  16           HD2      HIS  16  -1.896  -2.302 -20.531
  148    HE1  HIS  16           HE1      HIS  16   0.005  -4.011 -23.917
  149    H    ARG  17           H        ARG  17  -4.176  -7.174 -18.548
  150    HA   ARG  17           HA       ARG  17  -5.334  -8.185 -21.037
  151    HB2  ARG  17           2HB      ARG  17  -4.590  -9.504 -18.431
  152    HB3  ARG  17           3HB      ARG  17  -5.530 -10.330 -19.666
  153    HG2  ARG  17           2HG      ARG  17  -3.339 -11.017 -20.046
  154    HG3  ARG  17           3HG      ARG  17  -3.614  -9.761 -21.254
  155    HD2  ARG  17           2HD      ARG  17  -1.960  -8.520 -20.434
  156    HD3  ARG  17           3HD      ARG  17  -2.628  -8.614 -18.805
  157    HE   ARG  17           HE       ARG  17  -1.137 -10.293 -18.316
  158   HH11  ARG  17          1HH1      ARG  17  -1.166  -9.715 -21.749
  159   HH12  ARG  17          2HH1      ARG  17   0.220 -10.708 -22.060
  160   HH21  ARG  17          1HH2      ARG  17   0.688 -11.603 -18.712
  161   HH22  ARG  17          2HH2      ARG  17   1.273 -11.782 -20.332
  162    H    LEU  18           H        LEU  18  -6.417  -9.147 -17.852
  163    HA   LEU  18           HA       LEU  18  -9.055  -7.969 -18.434
  164    HB2  LEU  18           2HB      LEU  18 -10.038  -9.917 -17.253
  165    HB3  LEU  18           3HB      LEU  18  -9.226 -10.324 -18.763
  166    HG   LEU  18           HG       LEU  18  -7.495 -10.589 -16.431
  167   HD11  LEU  18          1HD1      LEU  18  -8.542 -12.495 -15.448
  168   HD12  LEU  18          2HD1      LEU  18  -9.845 -12.460 -16.635
  169   HD13  LEU  18          3HD1      LEU  18  -9.709 -11.172 -15.439
  170   HD21  LEU  18          3HD2      LEU  18  -8.341 -12.617 -18.489
  171   HD22  LEU  18          1HD2      LEU  18  -6.881 -12.622 -17.501
  172   HD23  LEU  18          2HD2      LEU  18  -7.085 -11.410 -18.766
  173    H    PHE  19           H        PHE  19  -8.165  -6.165 -17.152
  174    HA   PHE  19           HA       PHE  19  -7.330  -6.247 -14.538
  175    HB2  PHE  19           2HB      PHE  19  -7.572  -4.219 -16.076
  176    HB3  PHE  19           3HB      PHE  19  -9.247  -4.148 -15.541
  177    HD1  PHE  19           HD2      PHE  19  -6.131  -4.896 -13.648
  178    HD2  PHE  19           HD1      PHE  19  -9.432  -2.269 -14.214
  179    HE1  PHE  19           HE2      PHE  19  -5.439  -3.607 -11.671
  180    HE2  PHE  19           HE1      PHE  19  -8.744  -0.975 -12.238
  181    HZ   PHE  19           HZ       PHE  19  -6.746  -1.643 -10.963
  182    H    ARG  20           H        ARG  20 -10.691  -5.447 -15.416
  183    HA   ARG  20           HA       ARG  20 -11.550  -6.781 -12.934
  184    HB2  ARG  20           2HB      ARG  20 -13.420  -5.251 -12.846
  185    HB3  ARG  20           3HB      ARG  20 -11.926  -4.333 -12.981
  186    HG2  ARG  20           2HG      ARG  20 -12.504  -4.453 -15.557
  187    HG3  ARG  20           3HG      ARG  20 -14.140  -4.656 -14.927
  188    HD2  ARG  20           2HD      ARG  20 -14.216  -2.549 -14.062
  189    HD3  ARG  20           3HD      ARG  20 -12.480  -2.494 -13.760
  190    HE   ARG  20           HE       ARG  20 -13.041  -2.506 -16.545
  191   HH11  ARG  20          1HH1      ARG  20 -13.039  -0.464 -13.725
  192   HH12  ARG  20          2HH1      ARG  20 -12.797   0.998 -14.623
  193   HH21  ARG  20          1HH2      ARG  20 -12.723  -0.588 -17.738
  194   HH22  ARG  20          2HH2      ARG  20 -12.618   0.926 -16.906
  195    H    ARG  21           H        ARG  21 -12.095  -6.416 -16.365
  196    HA   ARG  21           HA       ARG  21 -14.415  -8.165 -16.328
  197    HB2  ARG  21           2HB      ARG  21 -14.611  -7.704 -18.671
  198    HB3  ARG  21           3HB      ARG  21 -14.261  -6.186 -17.854
  199    HG2  ARG  21           2HG      ARG  21 -11.835  -6.576 -18.470
  200    HG3  ARG  21           3HG      ARG  21 -12.420  -7.860 -19.530
  201    HD2  ARG  21           2HD      ARG  21 -13.950  -6.131 -20.562
  202    HD3  ARG  21           3HD      ARG  21 -13.039  -4.918 -19.663
  203    HE   ARG  21           HE       ARG  21 -11.231  -6.496 -21.102
  204   HH11  ARG  21          1HH1      ARG  21 -13.756  -4.166 -21.666
  205   HH12  ARG  21          2HH1      ARG  21 -13.067  -3.584 -23.146
  206   HH21  ARG  21          1HH2      ARG  21 -10.314  -5.738 -23.049
  207   HH22  ARG  21          2HH2      ARG  21 -11.110  -4.479 -23.932
  Start of MODEL   15
    1    H1   LYS   1           H        LYS   1   3.417  -2.754  -0.114
    2    HA   LYS   1           HA       LYS   1   2.273  -0.296  -0.265
    3    HB2  LYS   1           2HB      LYS   1   4.677   0.446  -0.711
    4    HB3  LYS   1           3HB      LYS   1   4.514  -0.330  -2.281
    5    HG2  LYS   1           2HG      LYS   1   4.022   1.893  -2.715
    6    HG3  LYS   1           3HG      LYS   1   2.430   1.144  -2.565
    7    HD2  LYS   1           2HD      LYS   1   1.918   2.602  -0.968
    8    HD3  LYS   1           3HD      LYS   1   3.224   1.951   0.026
    9    HE2  LYS   1           2HE      LYS   1   4.776   3.481  -1.274
   10    HE3  LYS   1           3HE      LYS   1   3.324   4.253  -1.910
   11    HZ1  LYS   1           3HZ      LYS   1   4.597   4.814   0.470
   12    HZ2  LYS   1           1HZ      LYS   1   3.176   4.010   0.911
   13    HZ3  LYS   1           2HZ      LYS   1   3.097   5.403  -0.045
   14    H    TYR   2           H        TYR   2   0.465  -1.107  -1.116
   15    HA   TYR   2           HA       TYR   2   0.672  -2.564  -3.670
   16    HB2  TYR   2           2HB      TYR   2  -0.078  -3.999  -1.792
   17    HB3  TYR   2           3HB      TYR   2  -1.440  -2.915  -1.531
   18    HD1  TYR   2           HD1      TYR   2  -0.313  -3.640  -4.928
   19    HD2  TYR   2           HD2      TYR   2  -3.032  -4.743  -1.847
   20    HE1  TYR   2           HE1      TYR   2  -1.637  -4.917  -6.561
   21    HE2  TYR   2           HE2      TYR   2  -4.362  -6.024  -3.471
   22    HH   TYR   2           HH       TYR   2  -3.284  -6.968  -6.394
   23    H    GLU   3           H        GLU   3   0.427   0.304  -3.285
   24    HA   GLU   3           HA       GLU   3  -2.297   0.789  -4.282
   25    HB2  GLU   3           2HB      GLU   3  -0.900   2.093  -2.302
   26    HB3  GLU   3           3HB      GLU   3  -0.649   3.139  -3.692
   27    HG2  GLU   3           2HG      GLU   3  -3.016   3.388  -4.004
   28    HG3  GLU   3           3HG      GLU   3  -3.345   2.209  -2.735
   29    H    ILE   4           H        ILE   4   1.058   1.864  -4.832
   30    HA   ILE   4           HA       ILE   4   0.399   2.121  -7.692
   31    HB   ILE   4           HB       ILE   4   0.708   4.330  -6.474
   32   HG12  ILE   4          2HG1      ILE   4   2.573   3.667  -8.764
   33   HG13  ILE   4          3HG1      ILE   4   0.879   4.122  -8.911
   34   HG21  ILE   4          1HG2      ILE   4   3.642   3.758  -6.606
   35   HG22  ILE   4          2HG2      ILE   4   2.785   5.006  -5.702
   36   HG23  ILE   4          3HG2      ILE   4   2.708   3.325  -5.174
   37   HD11  ILE   4          3HD1      ILE   4   1.551   6.289  -7.744
   38   HD12  ILE   4          1HD1      ILE   4   3.211   5.816  -8.107
   39   HD13  ILE   4          2HD1      ILE   4   2.056   6.062  -9.418
   40    H    THR   5           H        THR   5   2.278   0.621  -5.378
   41    HA   THR   5           HA       THR   5   4.597   0.232  -7.103
   42    HB   THR   5           HB       THR   5   3.999  -0.590  -4.266
   43    HG1  THR   5           HG1      THR   5   6.128   0.656  -4.156
   44   HG21  THR   5          3HG2      THR   5   6.352  -1.376  -5.986
   45   HG22  THR   5          1HG2      THR   5   5.176  -2.455  -5.237
   46   HG23  THR   5          2HG2      THR   5   6.301  -1.542  -4.231
   47    H    THR   6           H        THR   6   2.763  -2.067  -5.098
   48    HA   THR   6           HA       THR   6   3.288  -4.210  -6.928
   49    HB   THR   6           HB       THR   6   1.514  -4.092  -4.483
   50    HG1  THR   6           HG1      THR   6   4.191  -4.844  -4.974
   51   HG21  THR   6          3HG2      THR   6   2.372  -6.464  -6.144
   52   HG22  THR   6          1HG2      THR   6   0.732  -5.839  -5.985
   53   HG23  THR   6          2HG2      THR   6   1.541  -6.557  -4.592
   54    H    ILE   7           H        ILE   7   0.791  -1.882  -6.534
   55    HA   ILE   7           HA       ILE   7  -1.386  -3.279  -7.642
   56    HB   ILE   7           HB       ILE   7  -0.826  -0.579  -6.851
   57   HG12  ILE   7          2HG1      ILE   7  -2.602  -2.150  -6.009
   58   HG13  ILE   7          3HG1      ILE   7  -3.180  -0.533  -6.393
   59   HG21  ILE   7          1HG2      ILE   7  -0.758  -0.045  -9.212
   60   HG22  ILE   7          2HG2      ILE   7  -2.295  -0.870  -9.467
   61   HG23  ILE   7          3HG2      ILE   7  -2.234   0.598  -8.492
   62   HD11  ILE   7          3HD1      ILE   7  -4.555  -1.281  -7.981
   63   HD12  ILE   7          1HD1      ILE   7  -3.364  -2.416  -8.616
   64   HD13  ILE   7          2HD1      ILE   7  -4.336  -2.852  -7.210
   65    H    HIS   8           H        HIS   8   1.394  -1.782  -9.078
   66    HA   HIS   8           HA       HIS   8   0.282  -2.311 -11.755
   67    HB2  HIS   8           2HB      HIS   8   1.588   0.010 -10.682
   68    HB3  HIS   8           3HB      HIS   8   2.565  -0.656 -11.988
   69    HD1  HIS   8           HD1      HIS   8   0.948  -1.238 -14.227
   70    HD2  HIS   8           HD2      HIS   8  -0.252   1.749 -11.601
   71    HE1  HIS   8           HE1      HIS   8  -0.673   0.184 -15.521
   72    H    ASN   9           H        ASN   9   2.290  -3.572  -9.518
   73    HA   ASN   9           HA       ASN   9   4.258  -4.533 -11.478
   74    HB2  ASN   9           2HB      ASN   9   5.616  -3.863  -9.784
   75    HB3  ASN   9           3HB      ASN   9   4.343  -3.996  -8.574
   76   HD21  ASN   9          1HD2      ASN   9   5.025  -5.305  -7.043
   77   HD22  ASN   9          2HD2      ASN   9   5.787  -6.837  -7.280
   78    H    LEU  10           H        LEU  10   1.873  -5.573  -9.110
   79    HA   LEU  10           HA       LEU  10   2.262  -8.360  -9.958
   80    HB2  LEU  10           2HB      LEU  10   2.411  -7.905  -7.548
   81    HB3  LEU  10           3HB      LEU  10   0.771  -7.260  -7.578
   82    HG   LEU  10           HG       LEU  10   0.577  -9.844  -8.637
   83   HD11  LEU  10          1HD1      LEU  10   2.906 -10.077  -7.582
   84   HD12  LEU  10          2HD1      LEU  10   1.690 -11.293  -7.195
   85   HD13  LEU  10          3HD1      LEU  10   2.057 -10.015  -6.037
   86   HD21  LEU  10          3HD2      LEU  10  -0.818  -8.336  -6.954
   87   HD22  LEU  10          1HD2      LEU  10  -0.005  -9.360  -5.769
   88   HD23  LEU  10          2HD2      LEU  10  -1.008 -10.089  -7.024
   89    H    PHE  11           H        PHE  11   0.439  -5.774 -10.755
   90    HA   PHE  11           HA       PHE  11  -1.883  -7.449 -11.453
   91    HB2  PHE  11           2HB      PHE  11  -1.907  -5.183  -9.860
   92    HB3  PHE  11           3HB      PHE  11  -2.399  -4.575 -11.437
   93    HD1  PHE  11           HD1      PHE  11  -3.256  -6.838  -8.684
   94    HD2  PHE  11           HD2      PHE  11  -4.497  -5.202 -12.412
   95    HE1  PHE  11           HE1      PHE  11  -5.536  -7.672  -8.287
   96    HE2  PHE  11           HE2      PHE  11  -6.780  -6.033 -12.021
   97    HZ   PHE  11           HZ       PHE  11  -7.302  -7.269  -9.956
   98    H    ARG  12           H        ARG  12   0.748  -5.812 -12.630
   99    HA   ARG  12           HA       ARG  12  -0.051  -4.424 -14.857
  100    HB2  ARG  12           2HB      ARG  12   2.125  -5.313 -15.899
  101    HB3  ARG  12           3HB      ARG  12   2.245  -4.399 -14.401
  102    HG2  ARG  12           2HG      ARG  12   3.172  -6.108 -13.333
  103    HG3  ARG  12           3HG      ARG  12   1.928  -7.226 -13.895
  104    HD2  ARG  12           2HD      ARG  12   3.097  -7.655 -15.910
  105    HD3  ARG  12           3HD      ARG  12   4.201  -6.308 -15.637
  106    HE   ARG  12           HE       ARG  12   4.455  -8.959 -14.625
  107   HH11  ARG  12          1HH1      ARG  12   5.116  -5.617 -13.907
  108   HH12  ARG  12          2HH1      ARG  12   6.456  -5.970 -12.868
  109   HH21  ARG  12          1HH2      ARG  12   6.218  -9.437 -13.260
  110   HH22  ARG  12          2HH2      ARG  12   7.083  -8.143 -12.501
  111    H    LYS  13           H        LYS  13   0.191  -7.914 -14.446
  112    HA   LYS  13           HA       LYS  13  -0.163  -8.690 -17.109
  113    HB2  LYS  13           2HB      LYS  13  -1.148 -10.135 -14.643
  114    HB3  LYS  13           3HB      LYS  13  -0.857 -10.849 -16.224
  115    HG2  LYS  13           2HG      LYS  13   1.493 -10.522 -16.025
  116    HG3  LYS  13           3HG      LYS  13   1.290  -9.548 -14.567
  117    HD2  LYS  13           2HD      LYS  13   0.193 -11.638 -13.560
  118    HD3  LYS  13           3HD      LYS  13   0.905 -12.506 -14.923
  119    HE2  LYS  13           2HE      LYS  13   3.090 -11.274 -14.158
  120    HE3  LYS  13           3HE      LYS  13   2.237 -11.153 -12.621
  121    HZ1  LYS  13           3HZ      LYS  13   2.187 -13.776 -13.836
  122    HZ2  LYS  13           1HZ      LYS  13   2.471 -13.332 -12.229
  123    HZ3  LYS  13           2HZ      LYS  13   3.724 -13.252 -13.362
  124    H    LEU  14           H        LEU  14  -2.556  -8.079 -14.561
  125    HA   LEU  14           HA       LEU  14  -4.791  -8.662 -16.253
  126    HB2  LEU  14           2HB      LEU  14  -4.581  -7.290 -13.580
  127    HB3  LEU  14           3HB      LEU  14  -6.109  -7.636 -14.388
  128    HG   LEU  14           HG       LEU  14  -4.115  -9.691 -13.433
  129   HD11  LEU  14          1HD1      LEU  14  -5.118  -8.832 -11.508
  130   HD12  LEU  14          2HD1      LEU  14  -6.088 -10.250 -11.903
  131   HD13  LEU  14          3HD1      LEU  14  -6.683  -8.638 -12.298
  132   HD21  LEU  14          3HD2      LEU  14  -6.866 -10.036 -14.620
  133   HD22  LEU  14          1HD2      LEU  14  -5.824 -11.320 -14.009
  134   HD23  LEU  14          2HD2      LEU  14  -5.343 -10.398 -15.433
  135    H    THR  15           H        THR  15  -3.326  -5.680 -14.998
  136    HA   THR  15           HA       THR  15  -5.060  -3.798 -15.988
  137    HB   THR  15           HB       THR  15  -3.269  -2.203 -15.951
  138    HG1  THR  15           HG1      THR  15  -1.238  -2.738 -16.352
  139   HG21  THR  15          3HG2      THR  15  -2.002  -3.453 -13.804
  140   HG22  THR  15          1HG2      THR  15  -3.625  -4.141 -13.834
  141   HG23  THR  15          2HG2      THR  15  -3.409  -2.393 -13.731
  142    H    HIS  16           H        HIS  16  -2.555  -5.566 -17.720
  143    HA   HIS  16           HA       HIS  16  -3.067  -4.096 -20.175
  144    HB2  HIS  16           2HB      HIS  16  -0.764  -4.942 -19.365
  145    HB3  HIS  16           3HB      HIS  16  -1.301  -6.520 -19.935
  146    HD1  HIS  16           HD1      HIS  16  -0.150  -3.188 -21.128
  147    HD2  HIS  16           HD2      HIS  16  -1.513  -6.768 -22.737
  148    HE1  HIS  16           HE1      HIS  16   0.382  -3.068 -23.582
  149    H    ARG  17           H        ARG  17  -3.927  -7.096 -18.664
  150    HA   ARG  17           HA       ARG  17  -5.114  -8.090 -21.155
  151    HB2  ARG  17           2HB      ARG  17  -4.539  -9.422 -18.510
  152    HB3  ARG  17           3HB      ARG  17  -5.479 -10.189 -19.783
  153    HG2  ARG  17           2HG      ARG  17  -3.596 -10.140 -21.276
  154    HG3  ARG  17           3HG      ARG  17  -2.649  -9.217 -20.107
  155    HD2  ARG  17           2HD      ARG  17  -1.857 -11.267 -19.575
  156    HD3  ARG  17           3HD      ARG  17  -3.312 -11.318 -18.581
  157    HE   ARG  17           HE       ARG  17  -4.150 -12.944 -19.956
  158   HH11  ARG  17          1HH1      ARG  17  -1.478 -11.375 -21.543
  159   HH12  ARG  17          2HH1      ARG  17  -1.433 -12.498 -22.862
  160   HH21  ARG  17          1HH2      ARG  17  -4.101 -14.428 -21.687
  161   HH22  ARG  17          2HH2      ARG  17  -2.926 -14.233 -22.943
  162    H    LEU  18           H        LEU  18  -6.271  -8.852 -17.936
  163    HA   LEU  18           HA       LEU  18  -8.805  -7.487 -18.567
  164    HB2  LEU  18           2HB      LEU  18  -9.944  -9.306 -17.322
  165    HB3  LEU  18           3HB      LEU  18  -9.171  -9.829 -18.817
  166    HG   LEU  18           HG       LEU  18  -7.419 -10.169 -16.535
  167   HD11  LEU  18          1HD1      LEU  18  -9.966 -11.772 -16.485
  168   HD12  LEU  18          2HD1      LEU  18  -9.640 -10.414 -15.409
  169   HD13  LEU  18          3HD1      LEU  18  -8.617 -11.850 -15.351
  170   HD21  LEU  18          3HD2      LEU  18  -7.126 -12.343 -17.477
  171   HD22  LEU  18          1HD2      LEU  18  -7.223 -11.191 -18.809
  172   HD23  LEU  18          2HD2      LEU  18  -8.615 -12.199 -18.414
  173    H    PHE  19           H        PHE  19  -7.791  -5.714 -17.346
  174    HA   PHE  19           HA       PHE  19  -6.964  -5.785 -14.723
  175    HB2  PHE  19           2HB      PHE  19  -7.011  -3.798 -16.331
  176    HB3  PHE  19           3HB      PHE  19  -8.677  -3.556 -15.815
  177    HD1  PHE  19           HD1      PHE  19  -5.644  -4.510 -13.878
  178    HD2  PHE  19           HD2      PHE  19  -8.709  -1.633 -14.544
  179    HE1  PHE  19           HE1      PHE  19  -4.850  -3.220 -11.939
  180    HE2  PHE  19           HE2      PHE  19  -7.920  -0.338 -12.607
  181    HZ   PHE  19           HZ       PHE  19  -5.987  -1.130 -11.301
  182    H    ARG  20           H        ARG  20 -10.234  -4.713 -15.658
  183    HA   ARG  20           HA       ARG  20 -11.208  -5.707 -13.072
  184    HB2  ARG  20           2HB      ARG  20 -13.014  -4.162 -13.260
  185    HB3  ARG  20           3HB      ARG  20 -11.548  -3.289 -13.681
  186    HG2  ARG  20           2HG      ARG  20 -12.291  -4.083 -16.124
  187    HG3  ARG  20           3HG      ARG  20 -13.873  -4.009 -15.346
  188    HD2  ARG  20           2HD      ARG  20 -12.545  -1.688 -14.542
  189    HD3  ARG  20           3HD      ARG  20 -12.167  -1.868 -16.255
  190    HE   ARG  20           HE       ARG  20 -14.862  -2.276 -16.100
  191   HH11  ARG  20          1HH1      ARG  20 -12.693   0.274 -15.143
  192   HH12  ARG  20          2HH1      ARG  20 -13.868   1.530 -15.356
  193   HH21  ARG  20          1HH2      ARG  20 -16.417  -0.631 -16.384
  194   HH22  ARG  20          2HH2      ARG  20 -15.985   1.014 -16.061
  195    H    ARG  21           H        ARG  21 -11.534  -6.066 -16.512
  196    HA   ARG  21           HA       ARG  21 -14.005  -7.374 -16.644
  197    HB2  ARG  21           2HB      ARG  21 -11.995  -6.680 -18.440
  198    HB3  ARG  21           3HB      ARG  21 -12.064  -8.434 -18.530
  199    HG2  ARG  21           2HG      ARG  21 -13.950  -8.383 -19.698
  200    HG3  ARG  21           3HG      ARG  21 -14.708  -7.269 -18.557
  201    HD2  ARG  21           2HD      ARG  21 -13.370  -5.432 -19.659
  202    HD3  ARG  21           3HD      ARG  21 -12.947  -6.604 -20.906
  203    HE   ARG  21           HE       ARG  21 -15.472  -5.273 -20.561
  204   HH11  ARG  21          1HH1      ARG  21 -13.860  -8.066 -21.873
  205   HH12  ARG  21          2HH1      ARG  21 -15.081  -8.373 -23.064
  206   HH21  ARG  21          1HH2      ARG  21 -17.086  -5.667 -22.124
  207   HH22  ARG  21          2HH2      ARG  21 -16.915  -7.007 -23.206
  Start of MODEL   16
    1    H1   LYS   1           H        LYS   1   1.441  -1.001   0.359
    2    HA   LYS   1           HA       LYS   1   2.037   0.835  -1.853
    3    HB2  LYS   1           2HB      LYS   1   3.708  -0.555  -0.140
    4    HB3  LYS   1           3HB      LYS   1   3.746  -1.522  -1.609
    5    HG2  LYS   1           2HG      LYS   1   5.350  -0.123  -2.267
    6    HG3  LYS   1           3HG      LYS   1   4.037   1.012  -2.587
    7    HD2  LYS   1           2HD      LYS   1   4.403   1.479   0.030
    8    HD3  LYS   1           3HD      LYS   1   6.039   0.980  -0.409
    9    HE2  LYS   1           2HE      LYS   1   6.377   3.061  -1.122
   10    HE3  LYS   1           3HE      LYS   1   5.263   2.710  -2.442
   11    HZ1  LYS   1           3HZ      LYS   1   3.442   3.442  -0.935
   12    HZ2  LYS   1           1HZ      LYS   1   4.522   4.672  -1.363
   13    HZ3  LYS   1           2HZ      LYS   1   4.614   3.960   0.168
   14    H    TYR   2           H        TYR   2  -0.337  -0.829  -1.830
   15    HA   TYR   2           HA       TYR   2   0.268  -2.571  -4.130
   16    HB2  TYR   2           2HB      TYR   2  -0.453  -3.808  -2.088
   17    HB3  TYR   2           3HB      TYR   2  -1.976  -2.928  -2.133
   18    HD1  TYR   2           HD2      TYR   2  -0.585  -3.762  -5.347
   19    HD2  TYR   2           HD1      TYR   2  -3.034  -5.215  -2.186
   20    HE1  TYR   2           HE2      TYR   2  -1.518  -5.461  -6.859
   21    HE2  TYR   2           HE1      TYR   2  -3.974  -6.919  -3.690
   22    HH   TYR   2           HH       TYR   2  -3.726  -7.948  -5.691
   23    H    GLU   3           H        GLU   3  -0.296   0.206  -4.329
   24    HA   GLU   3           HA       GLU   3  -2.931   0.126  -5.648
   25    HB2  GLU   3           2HB      GLU   3  -2.960   2.633  -5.244
   26    HB3  GLU   3           3HB      GLU   3  -3.175   1.615  -3.827
   27    HG2  GLU   3           2HG      GLU   3  -0.769   1.912  -3.312
   28    HG3  GLU   3           3HG      GLU   3  -0.661   3.041  -4.662
   29    H    ILE   4           H        ILE   4   0.283   1.636  -5.698
   30    HA   ILE   4           HA       ILE   4   0.044   1.826  -8.628
   31    HB   ILE   4           HB       ILE   4  -0.077   4.057  -7.418
   32   HG12  ILE   4          2HG1      ILE   4   2.178   3.597  -9.383
   33   HG13  ILE   4          3HG1      ILE   4   0.488   3.866  -9.795
   34   HG21  ILE   4          1HG2      ILE   4   2.885   3.840  -7.097
   35   HG22  ILE   4          2HG2      ILE   4   1.751   4.948  -6.326
   36   HG23  ILE   4          3HG2      ILE   4   1.814   3.259  -5.822
   37   HD11  ILE   4          3HD1      ILE   4   2.581   5.773  -9.076
   38   HD12  ILE   4          1HD1      ILE   4   1.125   5.990 -10.046
   39   HD13  ILE   4          2HD1      ILE   4   1.030   6.056  -8.286
   40    H    THR   5           H        THR   5   1.698   0.548  -6.024
   41    HA   THR   5           HA       THR   5   4.235   0.324  -7.478
   42    HB   THR   5           HB       THR   5   3.496  -0.188  -4.602
   43    HG1  THR   5           HG1      THR   5   5.110   1.640  -6.020
   44   HG21  THR   5          3HG2      THR   5   5.957  -1.042  -6.106
   45   HG22  THR   5          1HG2      THR   5   4.919  -2.011  -5.061
   46   HG23  THR   5          2HG2      THR   5   5.968  -0.777  -4.362
   47    H    THR   6           H        THR   6   2.568  -1.921  -5.283
   48    HA   THR   6           HA       THR   6   3.479  -4.207  -6.707
   49    HB   THR   6           HB       THR   6   1.225  -4.115  -4.697
   50    HG1  THR   6           HG1      THR   6   3.167  -4.797  -3.318
   51   HG21  THR   6          3HG2      THR   6   3.060  -6.400  -4.768
   52   HG22  THR   6          1HG2      THR   6   2.094  -6.205  -6.230
   53   HG23  THR   6          2HG2      THR   6   1.300  -6.363  -4.663
   54    H    ILE   7           H        ILE   7   0.628  -2.230  -6.873
   55    HA   ILE   7           HA       ILE   7  -1.074  -4.068  -8.189
   56    HB   ILE   7           HB       ILE   7  -1.173  -1.292  -7.434
   57   HG12  ILE   7          2HG1      ILE   7  -3.287  -3.301  -8.244
   58   HG13  ILE   7          3HG1      ILE   7  -2.698  -3.007  -6.611
   59   HG21  ILE   7          1HG2      ILE   7  -0.939  -0.797  -9.790
   60   HG22  ILE   7          2HG2      ILE   7  -2.220  -1.942 -10.186
   61   HG23  ILE   7          3HG2      ILE   7  -2.595  -0.478  -9.276
   62   HD11  ILE   7          3HD1      ILE   7  -4.363  -1.575  -6.367
   63   HD12  ILE   7          1HD1      ILE   7  -3.551  -0.523  -7.526
   64   HD13  ILE   7          2HD1      ILE   7  -4.772  -1.670  -8.080
   65    H    HIS   8           H        HIS   8   1.540  -2.071  -9.270
   66    HA   HIS   8           HA       HIS   8   0.815  -2.333 -12.073
   67    HB2  HIS   8           2HB      HIS   8   2.489  -0.581 -10.532
   68    HB3  HIS   8           3HB      HIS   8   3.440  -1.307 -11.824
   69    HD1  HIS   8           HD1      HIS   8   2.328  -1.024 -14.300
   70    HD2  HIS   8           HD2      HIS   8   0.975   1.531 -11.316
   71    HE1  HIS   8           HE1      HIS   8   1.212   0.883 -15.502
   72    H    ASN   9           H        ASN   9   2.126  -4.350  -9.882
   73    HA   ASN   9           HA       ASN   9   3.854  -5.647 -11.887
   74    HB2  ASN   9           2HB      ASN   9   4.183  -6.058  -8.925
   75    HB3  ASN   9           3HB      ASN   9   5.344  -6.357 -10.215
   76   HD21  ASN   9          1HD2      ASN   9   5.459  -4.736  -7.722
   77   HD22  ASN   9          2HD2      ASN   9   5.962  -3.165  -8.236
   78    H    LEU  10           H        LEU  10   1.337  -5.998  -9.505
   79    HA   LEU  10           HA       LEU  10   1.143  -8.872 -10.070
   80    HB2  LEU  10           2HB      LEU  10   1.204  -8.390  -7.737
   81    HB3  LEU  10           3HB      LEU  10  -0.036  -7.149  -7.903
   82    HG   LEU  10           HG       LEU  10  -1.710  -8.852  -8.358
   83   HD11  LEU  10          1HD1      LEU  10   0.544 -10.453  -8.952
   84   HD12  LEU  10          2HD1      LEU  10  -1.163 -10.862  -9.108
   85   HD13  LEU  10          3HD1      LEU  10  -0.309 -11.209  -7.605
   86   HD21  LEU  10          3HD2      LEU  10  -0.413 -10.003  -5.973
   87   HD22  LEU  10          1HD2      LEU  10  -2.036  -9.345  -6.181
   88   HD23  LEU  10          2HD2      LEU  10  -0.666  -8.258  -5.952
   89    H    PHE  11           H        PHE  11  -0.160  -5.946 -11.027
   90    HA   PHE  11           HA       PHE  11  -2.603  -7.278 -11.998
   91    HB2  PHE  11           2HB      PHE  11  -2.465  -5.064 -10.299
   92    HB3  PHE  11           3HB      PHE  11  -2.838  -4.389 -11.881
   93    HD1  PHE  11           HD2      PHE  11  -3.990  -6.670  -9.242
   94    HD2  PHE  11           HD1      PHE  11  -4.953  -4.751 -12.917
   95    HE1  PHE  11           HE2      PHE  11  -6.349  -7.305  -8.951
   96    HE2  PHE  11           HE1      PHE  11  -7.314  -5.382 -12.631
   97    HZ   PHE  11           HZ       PHE  11  -8.014  -6.662 -10.647
   98    H    ARG  12           H        ARG  12   0.290  -6.303 -12.965
   99    HA   ARG  12           HA       ARG  12  -0.156  -4.593 -15.149
  100    HB2  ARG  12           2HB      ARG  12   2.023  -5.557 -16.005
  101    HB3  ARG  12           3HB      ARG  12   2.077  -4.856 -14.393
  102    HG2  ARG  12           2HG      ARG  12   2.830  -6.757 -13.552
  103    HG3  ARG  12           3HG      ARG  12   1.435  -7.630 -14.188
  104    HD2  ARG  12           2HD      ARG  12   2.580  -8.426 -15.957
  105    HD3  ARG  12           3HD      ARG  12   3.479  -6.926 -16.177
  106    HE   ARG  12           HE       ARG  12   5.177  -7.802 -14.919
  107   HH11  ARG  12          1HH1      ARG  12   2.297  -9.694 -14.419
  108   HH12  ARG  12          2HH1      ARG  12   3.105 -10.921 -13.501
  109   HH21  ARG  12          1HH2      ARG  12   6.252  -9.412 -13.712
  110   HH22  ARG  12          2HH2      ARG  12   5.355 -10.759 -13.099
  111    H    LYS  13           H        LYS  13  -0.607  -8.013 -14.741
  112    HA   LYS  13           HA       LYS  13  -0.802  -8.573 -17.563
  113    HB2  LYS  13           2HB      LYS  13  -1.326 -10.824 -16.909
  114    HB3  LYS  13           3HB      LYS  13  -0.012 -10.250 -15.891
  115    HG2  LYS  13           2HG      LYS  13  -2.285  -9.591 -14.464
  116    HG3  LYS  13           3HG      LYS  13  -2.661 -11.167 -15.165
  117    HD2  LYS  13           2HD      LYS  13  -0.144 -10.536 -13.624
  118    HD3  LYS  13           3HD      LYS  13  -1.577 -11.298 -12.930
  119    HE2  LYS  13           2HE      LYS  13  -1.344 -13.190 -14.393
  120    HE3  LYS  13           3HE      LYS  13  -0.033 -12.404 -15.271
  121    HZ1  LYS  13           3HZ      LYS  13   0.929 -12.363 -12.790
  122    HZ2  LYS  13           1HZ      LYS  13   1.228 -13.618 -13.884
  123    HZ3  LYS  13           2HZ      LYS  13   0.012 -13.783 -12.720
  124    H    LEU  14           H        LEU  14  -2.788  -7.042 -15.414
  125    HA   LEU  14           HA       LEU  14  -5.225  -7.913 -16.821
  126    HB2  LEU  14           2HB      LEU  14  -4.814  -6.807 -14.057
  127    HB3  LEU  14           3HB      LEU  14  -6.399  -6.860 -14.826
  128    HG   LEU  14           HG       LEU  14  -4.745  -9.341 -14.463
  129   HD11  LEU  14          1HD1      LEU  14  -6.792  -8.300 -12.515
  130   HD12  LEU  14          2HD1      LEU  14  -5.049  -8.188 -12.274
  131   HD13  LEU  14          3HD1      LEU  14  -5.824  -9.768 -12.376
  132   HD21  LEU  14          3HD2      LEU  14  -6.454  -9.978 -15.805
  133   HD22  LEU  14          1HD2      LEU  14  -7.502  -8.659 -15.283
  134   HD23  LEU  14          2HD2      LEU  14  -7.309 -10.086 -14.265
  135    H    THR  15           H        THR  15  -3.597  -5.079 -15.429
  136    HA   THR  15           HA       THR  15  -5.298  -3.084 -16.291
  137    HB   THR  15           HB       THR  15  -3.474  -1.541 -16.107
  138    HG1  THR  15           HG1      THR  15  -1.475  -2.086 -16.586
  139   HG21  THR  15          3HG2      THR  15  -2.278  -3.028 -14.047
  140   HG22  THR  15          1HG2      THR  15  -3.950  -3.580 -14.137
  141   HG23  THR  15          2HG2      THR  15  -3.598  -1.867 -13.906
  142    H    HIS  16           H        HIS  16  -2.792  -4.785 -18.091
  143    HA   HIS  16           HA       HIS  16  -3.203  -3.139 -20.446
  144    HB2  HIS  16           2HB      HIS  16  -1.178  -4.995 -19.505
  145    HB3  HIS  16           3HB      HIS  16  -1.628  -5.323 -21.175
  146    HD1  HIS  16           HD1      HIS  16   0.857  -3.609 -19.490
  147    HD2  HIS  16           HD2      HIS  16  -1.736  -2.498 -22.540
  148    HE1  HIS  16           HE1      HIS  16   1.947  -1.642 -20.615
  149    H    ARG  17           H        ARG  17  -4.213  -6.206 -19.176
  150    HA   ARG  17           HA       ARG  17  -5.357  -6.999 -21.751
  151    HB2  ARG  17           2HB      ARG  17  -4.925  -8.450 -19.149
  152    HB3  ARG  17           3HB      ARG  17  -5.957  -9.106 -20.412
  153    HG2  ARG  17           2HG      ARG  17  -3.865 -10.122 -20.710
  154    HG3  ARG  17           3HG      ARG  17  -3.968  -8.882 -21.962
  155    HD2  ARG  17           2HD      ARG  17  -2.229  -7.750 -21.129
  156    HD3  ARG  17           3HD      ARG  17  -2.820  -7.896 -19.474
  157    HE   ARG  17           HE       ARG  17  -1.879 -10.365 -19.971
  158   HH11  ARG  17          1HH1      ARG  17  -0.505  -7.196 -20.410
  159   HH12  ARG  17          2HH1      ARG  17   1.126  -7.726 -20.163
  160   HH21  ARG  17          1HH2      ARG  17   0.264 -11.075 -19.643
  161   HH22  ARG  17          2HH2      ARG  17   1.562  -9.933 -19.728
  162    H    LEU  18           H        LEU  18  -6.743  -7.836 -18.648
  163    HA   LEU  18           HA       LEU  18  -9.144  -6.275 -19.341
  164    HB2  LEU  18           2HB      LEU  18 -10.457  -8.081 -18.238
  165    HB3  LEU  18           3HB      LEU  18  -9.661  -8.560 -19.736
  166    HG   LEU  18           HG       LEU  18  -8.291  -9.135 -17.155
  167   HD11  LEU  18          1HD1      LEU  18 -10.174 -11.186 -18.145
  168   HD12  LEU  18          2HD1      LEU  18 -10.870  -9.825 -17.266
  169   HD13  LEU  18          3HD1      LEU  18  -9.638 -10.830 -16.502
  170   HD21  LEU  18          3HD2      LEU  18  -7.923  -9.745 -19.880
  171   HD22  LEU  18          1HD2      LEU  18  -8.358 -11.253 -19.074
  172   HD23  LEU  18          2HD2      LEU  18  -6.979 -10.313 -18.502
  173    H    PHE  19           H        PHE  19  -8.094  -4.636 -17.972
  174    HA   PHE  19           HA       PHE  19  -7.465  -4.934 -15.292
  175    HB2  PHE  19           2HB      PHE  19  -7.155  -2.886 -16.802
  176    HB3  PHE  19           3HB      PHE  19  -8.814  -2.470 -16.383
  177    HD1  PHE  19           HD1      PHE  19  -6.049  -3.866 -14.316
  178    HD2  PHE  19           HD2      PHE  19  -8.722  -0.626 -15.004
  179    HE1  PHE  19           HE1      PHE  19  -5.250  -2.775 -12.260
  180    HE2  PHE  19           HE2      PHE  19  -7.927   0.471 -12.951
  181    HZ   PHE  19           HZ       PHE  19  -6.188  -0.603 -11.576
  182    H    ARG  20           H        ARG  20 -10.564  -4.840 -16.833
  183    HA   ARG  20           HA       ARG  20 -11.953  -4.505 -14.284
  184    HB2  ARG  20           2HB      ARG  20 -14.007  -4.476 -15.701
  185    HB3  ARG  20           3HB      ARG  20 -12.855  -3.206 -16.092
  186    HG2  ARG  20           2HG      ARG  20 -12.480  -5.645 -17.650
  187    HG3  ARG  20           3HG      ARG  20 -14.050  -4.875 -17.889
  188    HD2  ARG  20           2HD      ARG  20 -11.458  -3.355 -18.017
  189    HD3  ARG  20           3HD      ARG  20 -12.168  -4.139 -19.427
  190    HE   ARG  20           HE       ARG  20 -13.001  -1.689 -18.228
  191   HH11  ARG  20          1HH1      ARG  20 -14.129  -4.483 -19.971
  192   HH12  ARG  20          2HH1      ARG  20 -15.497  -3.667 -20.653
  193   HH21  ARG  20          1HH2      ARG  20 -14.799  -0.604 -19.119
  194   HH22  ARG  20          2HH2      ARG  20 -15.876  -1.461 -20.169
  195    H    ARG  21           H        ARG  21 -10.390  -6.912 -14.902
  196    HA   ARG  21           HA       ARG  21 -11.864  -9.102 -15.695
  197    HB2  ARG  21           2HB      ARG  21 -10.324 -10.462 -14.427
  198    HB3  ARG  21           3HB      ARG  21  -9.442  -9.124 -15.151
  199    HG2  ARG  21           2HG      ARG  21  -8.558  -9.052 -13.066
  200    HG3  ARG  21           3HG      ARG  21  -9.954  -8.004 -12.807
  201    HD2  ARG  21           2HD      ARG  21 -11.118  -9.624 -11.640
  202    HD3  ARG  21           3HD      ARG  21 -10.211 -10.947 -12.372
  203    HE   ARG  21           HE       ARG  21  -8.617 -10.725 -10.733
  204   HH11  ARG  21          1HH1      ARG  21 -10.737  -7.965 -10.679
  205   HH12  ARG  21          2HH1      ARG  21 -10.106  -7.345  -9.189
  206   HH21  ARG  21          1HH2      ARG  21  -7.778  -9.920  -8.771
  207   HH22  ARG  21          2HH2      ARG  21  -8.422  -8.458  -8.105
  Start of MODEL   17
    1    H1   LYS   1           H        LYS   1   1.005  -1.625   0.608
    2    HA   LYS   1           HA       LYS   1   1.691   0.504  -0.706
    3    HB2  LYS   1           2HB      LYS   1   4.104  -1.294  -0.796
    4    HB3  LYS   1           3HB      LYS   1   3.805  -0.090  -2.043
    5    HG2  LYS   1           2HG      LYS   1   3.527   1.389   0.226
    6    HG3  LYS   1           3HG      LYS   1   4.777   0.234   0.694
    7    HD2  LYS   1           2HD      LYS   1   6.264   1.469  -0.405
    8    HD3  LYS   1           3HD      LYS   1   5.420   1.088  -1.908
    9    HE2  LYS   1           2HE      LYS   1   4.218   3.065  -1.884
   10    HE3  LYS   1           3HE      LYS   1   4.411   3.280  -0.144
   11    HZ1  LYS   1           3HZ      LYS   1   5.896   4.476  -2.115
   12    HZ2  LYS   1           1HZ      LYS   1   6.924   3.291  -1.481
   13    HZ3  LYS   1           2HZ      LYS   1   6.248   4.458  -0.460
   14    H    TYR   2           H        TYR   2  -0.338  -0.894  -1.197
   15    HA   TYR   2           HA       TYR   2   0.145  -2.332  -3.725
   16    HB2  TYR   2           2HB      TYR   2  -0.822  -3.544  -1.561
   17    HB3  TYR   2           3HB      TYR   2  -2.332  -2.860  -2.153
   18    HD1  TYR   2           HD2      TYR   2  -1.760  -3.068  -5.113
   19    HD2  TYR   2           HD1      TYR   2  -1.218  -5.841  -1.932
   20    HE1  TYR   2           HE2      TYR   2  -1.984  -4.930  -6.705
   21    HE2  TYR   2           HE1      TYR   2  -1.439  -7.710  -3.515
   22    HH   TYR   2           HH       TYR   2  -1.507  -7.208  -6.951
   23    H    GLU   3           H        GLU   3  -0.155   0.419  -3.701
   24    HA   GLU   3           HA       GLU   3  -2.881   0.782  -4.759
   25    HB2  GLU   3           2HB      GLU   3  -1.039   2.890  -3.619
   26    HB3  GLU   3           3HB      GLU   3  -2.669   3.157  -4.219
   27    HG2  GLU   3           2HG      GLU   3  -3.113   1.228  -2.373
   28    HG3  GLU   3           3HG      GLU   3  -1.752   2.084  -1.651
   29    H    ILE   4           H        ILE   4   0.345   2.272  -5.098
   30    HA   ILE   4           HA       ILE   4  -0.017   2.163  -8.018
   31    HB   ILE   4           HB       ILE   4   1.422   4.423  -6.651
   32   HG12  ILE   4          2HG1      ILE   4  -0.881   4.468  -5.847
   33   HG13  ILE   4          3HG1      ILE   4  -0.616   5.780  -6.989
   34   HG21  ILE   4          1HG2      ILE   4   1.282   3.601  -9.289
   35   HG22  ILE   4          2HG2      ILE   4   0.136   4.937  -9.196
   36   HG23  ILE   4          3HG2      ILE   4   1.813   5.179  -8.709
   37   HD11  ILE   4          3HD1      ILE   4  -2.421   5.091  -8.061
   38   HD12  ILE   4          1HD1      ILE   4  -1.522   3.648  -8.532
   39   HD13  ILE   4          2HD1      ILE   4  -2.518   3.632  -7.076
   40    H    THR   5           H        THR   5   1.558   0.686  -5.781
   41    HA   THR   5           HA       THR   5   4.218   0.908  -7.025
   42    HB   THR   5           HB       THR   5   3.388   0.059  -4.258
   43    HG1  THR   5           HG1      THR   5   4.223   1.941  -3.786
   44   HG21  THR   5          3HG2      THR   5   6.053  -0.393  -5.604
   45   HG22  THR   5          1HG2      THR   5   4.951  -1.630  -5.003
   46   HG23  THR   5          2HG2      THR   5   5.763  -0.548  -3.872
   47    H    THR   6           H        THR   6   2.218  -1.565  -5.403
   48    HA   THR   6           HA       THR   6   3.411  -3.608  -7.121
   49    HB   THR   6           HB       THR   6   2.523  -5.246  -5.627
   50    HG1  THR   6           HG1      THR   6   1.216  -4.369  -3.773
   51   HG21  THR   6          3HG2      THR   6   3.348  -4.382  -3.383
   52   HG22  THR   6          1HG2      THR   6   3.645  -2.846  -4.195
   53   HG23  THR   6          2HG2      THR   6   4.493  -4.299  -4.721
   54    H    ILE   7           H        ILE   7   0.599  -1.717  -6.886
   55    HA   ILE   7           HA       ILE   7  -1.367  -3.448  -7.875
   56    HB   ILE   7           HB       ILE   7  -1.336  -0.826  -7.111
   57   HG12  ILE   7          2HG1      ILE   7  -3.568  -1.981  -8.773
   58   HG13  ILE   7          3HG1      ILE   7  -3.197  -2.593  -7.165
   59   HG21  ILE   7          1HG2      ILE   7  -1.853  -0.873 -10.081
   60   HG22  ILE   7          2HG2      ILE   7  -2.133   0.497  -9.009
   61   HG23  ILE   7          3HG2      ILE   7  -0.492  -0.093  -9.275
   62   HD11  ILE   7          3HD1      ILE   7  -3.689  -0.473  -6.180
   63   HD12  ILE   7          1HD1      ILE   7  -3.867   0.275  -7.767
   64   HD13  ILE   7          2HD1      ILE   7  -5.033  -0.933  -7.225
   65    H    HIS   8           H        HIS   8   1.233  -1.769  -9.465
   66    HA   HIS   8           HA       HIS   8   0.207  -2.614 -12.088
   67    HB2  HIS   8           2HB      HIS   8   1.538  -0.236 -11.174
   68    HB3  HIS   8           3HB      HIS   8   2.513  -1.013 -12.419
   69    HD1  HIS   8           HD1      HIS   8   0.125   1.504 -12.187
   70    HD2  HIS   8           HD2      HIS   8   0.517  -1.795 -14.682
   71    HE1  HIS   8           HE1      HIS   8  -1.265   2.027 -14.216
   72    H    ASN   9           H        ASN   9   2.022  -3.872  -9.772
   73    HA   ASN   9           HA       ASN   9   4.063  -4.949 -11.600
   74    HB2  ASN   9           2HB      ASN   9   4.076  -4.900  -8.573
   75    HB3  ASN   9           3HB      ASN   9   5.370  -5.506  -9.604
   76   HD21  ASN   9          1HD2      ASN   9   6.318  -3.793  -8.013
   77   HD22  ASN   9          2HD2      ASN   9   6.489  -2.211  -8.685
   78    H    LEU  10           H        LEU  10   1.571  -5.773  -9.266
   79    HA   LEU  10           HA       LEU  10   1.917  -8.619  -9.917
   80    HB2  LEU  10           2HB      LEU  10   2.031  -8.233  -7.571
   81    HB3  LEU  10           3HB      LEU  10   0.581  -7.232  -7.605
   82    HG   LEU  10           HG       LEU  10  -0.802  -9.165  -8.004
   83   HD11  LEU  10          1HD1      LEU  10   0.813 -10.394  -9.415
   84   HD12  LEU  10          2HD1      LEU  10   0.078 -11.400  -8.166
   85   HD13  LEU  10          3HD1      LEU  10   1.726 -10.805  -7.963
   86   HD21  LEU  10          3HD2      LEU  10   0.642 -10.463  -5.903
   87   HD22  LEU  10          1HD2      LEU  10  -0.850  -9.526  -5.816
   88   HD23  LEU  10          2HD2      LEU  10   0.709  -8.715  -5.673
   89    H    PHE  11           H        PHE  11   0.140  -6.011 -10.839
   90    HA   PHE  11           HA       PHE  11  -2.166  -7.695 -11.569
   91    HB2  PHE  11           2HB      PHE  11  -2.206  -5.373 -10.025
   92    HB3  PHE  11           3HB      PHE  11  -2.730  -4.846 -11.621
   93    HD1  PHE  11           HD1      PHE  11  -3.458  -7.157  -8.843
   94    HD2  PHE  11           HD2      PHE  11  -4.863  -5.417 -12.464
   95    HE1  PHE  11           HE1      PHE  11  -5.712  -8.030  -8.384
   96    HE2  PHE  11           HE2      PHE  11  -7.120  -6.286 -12.010
   97    HZ   PHE  11           HZ       PHE  11  -7.547  -7.594  -9.968
   98    H    ARG  12           H        ARG  12   0.501  -6.134 -12.714
   99    HA   ARG  12           HA       ARG  12  -0.232  -4.740 -14.965
  100    HB2  ARG  12           2HB      ARG  12   1.948  -5.686 -15.956
  101    HB3  ARG  12           3HB      ARG  12   2.054  -4.745 -14.474
  102    HG2  ARG  12           2HG      ARG  12   2.665  -6.531 -13.216
  103    HG3  ARG  12           3HG      ARG  12   1.752  -7.677 -14.199
  104    HD2  ARG  12           2HD      ARG  12   3.670  -8.263 -15.158
  105    HD3  ARG  12           3HD      ARG  12   3.717  -6.664 -15.898
  106    HE   ARG  12           HE       ARG  12   4.759  -6.421 -13.332
  107   HH11  ARG  12          1HH1      ARG  12   5.532  -8.042 -16.315
  108   HH12  ARG  12          2HH1      ARG  12   7.242  -8.017 -16.037
  109   HH21  ARG  12          1HH2      ARG  12   7.008  -6.382 -12.955
  110   HH22  ARG  12          2HH2      ARG  12   8.080  -7.074 -14.125
  111    H    LYS  13           H        LYS  13  -0.125  -8.220 -14.491
  112    HA   LYS  13           HA       LYS  13  -0.436  -9.003 -17.174
  113    HB2  LYS  13           2HB      LYS  13  -1.408 -10.429 -14.691
  114    HB3  LYS  13           3HB      LYS  13  -1.171 -11.155 -16.275
  115    HG2  LYS  13           2HG      LYS  13   0.976 -11.517 -15.866
  116    HG3  LYS  13           3HG      LYS  13   1.231  -9.837 -15.388
  117    HD2  LYS  13           2HD      LYS  13   1.055 -10.305 -13.185
  118    HD3  LYS  13           3HD      LYS  13  -0.209 -11.511 -13.436
  119    HE2  LYS  13           2HE      LYS  13   1.463 -12.913 -12.819
  120    HE3  LYS  13           3HE      LYS  13   1.834 -12.821 -14.540
  121    HZ1  LYS  13           3HZ      LYS  13   3.563 -12.274 -12.531
  122    HZ2  LYS  13           1HZ      LYS  13   3.056 -10.729 -12.996
  123    HZ3  LYS  13           2HZ      LYS  13   3.743 -11.772 -14.136
  124    H    LEU  14           H        LEU  14  -2.814  -8.312 -14.639
  125    HA   LEU  14           HA       LEU  14  -5.059  -8.907 -16.323
  126    HB2  LEU  14           2HB      LEU  14  -4.842  -7.514 -13.661
  127    HB3  LEU  14           3HB      LEU  14  -6.369  -7.867 -14.467
  128    HG   LEU  14           HG       LEU  14  -4.383  -9.861 -13.384
  129   HD11  LEU  14          1HD1      LEU  14  -6.626 -10.477 -12.157
  130   HD12  LEU  14          2HD1      LEU  14  -7.007  -8.786 -12.483
  131   HD13  LEU  14          3HD1      LEU  14  -5.572  -9.201 -11.546
  132   HD21  LEU  14          3HD2      LEU  14  -6.000 -11.569 -14.088
  133   HD22  LEU  14          1HD2      LEU  14  -5.322 -10.695 -15.462
  134   HD23  LEU  14          2HD2      LEU  14  -6.952 -10.323 -14.898
  135    H    THR  15           H        THR  15  -3.594  -5.925 -15.061
  136    HA   THR  15           HA       THR  15  -5.316  -4.051 -16.106
  137    HB   THR  15           HB       THR  15  -3.541  -2.444 -15.998
  138    HG1  THR  15           HG1      THR  15  -1.425  -2.992 -16.112
  139   HG21  THR  15          3HG2      THR  15  -2.346  -3.701 -13.808
  140   HG22  THR  15          1HG2      THR  15  -3.971  -4.379 -13.898
  141   HG23  THR  15          2HG2      THR  15  -3.749  -2.633 -13.784
  142    H    HIS  16           H        HIS  16  -2.747  -5.816 -17.740
  143    HA   HIS  16           HA       HIS  16  -3.133  -4.337 -20.207
  144    HB2  HIS  16           2HB      HIS  16  -0.868  -4.989 -19.634
  145    HB3  HIS  16           3HB      HIS  16  -1.346  -6.681 -19.527
  146    HD1  HIS  16           HD1      HIS  16  -1.081  -8.027 -21.600
  147    HD2  HIS  16           HD2      HIS  16  -1.088  -3.945 -22.375
  148    HE1  HIS  16           HE1      HIS  16  -0.546  -7.807 -24.047
  149    H    ARG  17           H        ARG  17  -4.145  -7.314 -18.749
  150    HA   ARG  17           HA       ARG  17  -5.273  -8.249 -21.292
  151    HB2  ARG  17           2HB      ARG  17  -4.812  -9.641 -18.653
  152    HB3  ARG  17           3HB      ARG  17  -5.718 -10.364 -19.976
  153    HG2  ARG  17           2HG      ARG  17  -3.801 -10.396 -21.381
  154    HG3  ARG  17           3HG      ARG  17  -2.879  -9.411 -20.242
  155    HD2  ARG  17           2HD      ARG  17  -2.132 -11.286 -19.315
  156    HD3  ARG  17           3HD      ARG  17  -3.778 -11.625 -18.782
  157    HE   ARG  17           HE       ARG  17  -3.587 -12.482 -21.413
  158   HH11  ARG  17          1HH1      ARG  17  -2.145 -13.237 -18.336
  159   HH12  ARG  17          2HH1      ARG  17  -1.860 -14.900 -18.730
  160   HH21  ARG  17          1HH2      ARG  17  -3.218 -14.669 -21.944
  161   HH22  ARG  17          2HH2      ARG  17  -2.470 -15.713 -20.783
  162    H    LEU  18           H        LEU  18  -6.535  -9.038 -18.119
  163    HA   LEU  18           HA       LEU  18  -9.020  -7.607 -18.797
  164    HB2  LEU  18           2HB      LEU  18 -10.232  -9.414 -17.609
  165    HB3  LEU  18           3HB      LEU  18  -9.425  -9.940 -19.085
  166    HG   LEU  18           HG       LEU  18  -7.779 -10.331 -16.718
  167   HD11  LEU  18          1HD1      LEU  18 -10.058 -10.613 -15.736
  168   HD12  LEU  18          2HD1      LEU  18  -9.049 -12.057 -15.674
  169   HD13  LEU  18          3HD1      LEU  18 -10.327 -11.927 -16.881
  170   HD21  LEU  18          3HD2      LEU  18  -7.422 -11.284 -18.995
  171   HD22  LEU  18          1HD2      LEU  18  -8.847 -12.293 -18.741
  172   HD23  LEU  18          2HD2      LEU  18  -7.435 -12.485 -17.702
  173    H    PHE  19           H        PHE  19  -8.022  -5.866 -17.530
  174    HA   PHE  19           HA       PHE  19  -7.247  -5.970 -14.896
  175    HB2  PHE  19           2HB      PHE  19  -7.258  -3.962 -16.472
  176    HB3  PHE  19           3HB      PHE  19  -8.936  -3.727 -15.994
  177    HD1  PHE  19           HD2      PHE  19  -5.987  -4.731 -13.963
  178    HD2  PHE  19           HD1      PHE  19  -8.966  -1.790 -14.733
  179    HE1  PHE  19           HE2      PHE  19  -5.242  -3.464 -11.989
  180    HE2  PHE  19           HE1      PHE  19  -8.226  -0.518 -12.761
  181    HZ   PHE  19           HZ       PHE  19  -6.362  -1.356 -11.386
  182    H    ARG  20           H        ARG  20 -10.499  -4.879 -15.867
  183    HA   ARG  20           HA       ARG  20 -11.537  -6.110 -13.399
  184    HB2  ARG  20           2HB      ARG  20 -12.266  -3.557 -14.804
  185    HB3  ARG  20           3HB      ARG  20 -13.417  -4.357 -13.741
  186    HG2  ARG  20           2HG      ARG  20 -12.359  -3.682 -11.893
  187    HG3  ARG  20           3HG      ARG  20 -10.763  -4.018 -12.567
  188    HD2  ARG  20           2HD      ARG  20 -10.665  -1.737 -12.399
  189    HD3  ARG  20           3HD      ARG  20 -11.299  -1.905 -14.035
  190    HE   ARG  20           HE       ARG  20 -13.495  -1.767 -12.368
  191   HH11  ARG  20          1HH1      ARG  20 -10.779   0.255 -13.179
  192   HH12  ARG  20          2HH1      ARG  20 -11.630   1.736 -12.893
  193   HH21  ARG  20          1HH2      ARG  20 -14.626   0.178 -11.989
  194   HH22  ARG  20          2HH2      ARG  20 -13.817   1.692 -12.215
  195    H    ARG  21           H        ARG  21 -11.928  -5.708 -16.834
  196    HA   ARG  21           HA       ARG  21 -14.495  -7.022 -16.927
  197    HB2  ARG  21           2HB      ARG  21 -14.281  -6.832 -19.348
  198    HB3  ARG  21           3HB      ARG  21 -13.900  -5.299 -18.576
  199    HG2  ARG  21           2HG      ARG  21 -11.444  -6.133 -18.728
  200    HG3  ARG  21           3HG      ARG  21 -12.087  -7.223 -19.958
  201    HD2  ARG  21           2HD      ARG  21 -13.115  -4.609 -20.429
  202    HD3  ARG  21           3HD      ARG  21 -11.368  -4.496 -20.219
  203    HE   ARG  21           HE       ARG  21 -12.116  -6.616 -21.981
  204   HH11  ARG  21          1HH1      ARG  21 -11.595  -3.180 -21.772
  205   HH12  ARG  21          2HH1      ARG  21 -11.223  -3.002 -23.455
  206   HH21  ARG  21          1HH2      ARG  21 -11.628  -6.394 -24.199
  207   HH22  ARG  21          2HH2      ARG  21 -11.243  -4.831 -24.834
  Start of MODEL   18
    1    H1   LYS   1           H        LYS   1   2.991  -2.371   0.637
    2    HA   LYS   1           HA       LYS   1   1.901  -0.336   0.040
    3    HB2  LYS   1           2HB      LYS   1   4.151   0.086  -1.928
    4    HB3  LYS   1           3HB      LYS   1   2.895   1.233  -1.479
    5    HG2  LYS   1           2HG      LYS   1   3.847   1.151   0.864
    6    HG3  LYS   1           3HG      LYS   1   5.222   0.290   0.168
    7    HD2  LYS   1           2HD      LYS   1   4.726   2.558  -1.453
    8    HD3  LYS   1           3HD      LYS   1   4.710   3.095   0.228
    9    HE2  LYS   1           2HE      LYS   1   6.953   3.258  -0.586
   10    HE3  LYS   1           3HE      LYS   1   6.880   1.915   0.553
   11    HZ1  LYS   1           3HZ      LYS   1   6.784   1.651  -2.404
   12    HZ2  LYS   1           1HZ      LYS   1   6.780   0.378  -1.289
   13    HZ3  LYS   1           2HZ      LYS   1   8.146   1.363  -1.444
   14    H    TYR   2           H        TYR   2   0.152  -0.905  -1.055
   15    HA   TYR   2           HA       TYR   2   0.495  -2.280  -3.640
   16    HB2  TYR   2           2HB      TYR   2  -0.540  -3.509  -1.528
   17    HB3  TYR   2           3HB      TYR   2  -1.996  -2.662  -2.040
   18    HD1  TYR   2           HD1      TYR   2  -1.496  -2.766  -5.027
   19    HD2  TYR   2           HD2      TYR   2  -1.179  -5.736  -1.997
   20    HE1  TYR   2           HE1      TYR   2  -1.926  -4.514  -6.704
   21    HE2  TYR   2           HE2      TYR   2  -1.607  -7.492  -3.665
   22    HH   TYR   2           HH       TYR   2  -2.406  -7.860  -5.787
   23    H    GLU   3           H        GLU   3   0.437   0.466  -3.555
   24    HA   GLU   3           HA       GLU   3  -2.254   1.084  -4.587
   25    HB2  GLU   3           2HB      GLU   3  -0.321   3.069  -3.387
   26    HB3  GLU   3           3HB      GLU   3  -1.991   3.359  -3.854
   27    HG2  GLU   3           2HG      GLU   3  -2.664   1.687  -2.111
   28    HG3  GLU   3           3HG      GLU   3  -0.987   1.688  -1.567
   29    H    ILE   4           H        ILE   4   1.086   2.329  -4.791
   30    HA   ILE   4           HA       ILE   4   0.758   2.453  -7.715
   31    HB   ILE   4           HB       ILE   4   2.392   4.465  -6.191
   32   HG12  ILE   4          2HG1      ILE   4   0.098   4.660  -5.373
   33   HG13  ILE   4          3HG1      ILE   4   0.494   6.028  -6.406
   34   HG21  ILE   4          1HG2      ILE   4   2.208   3.853  -8.870
   35   HG22  ILE   4          2HG2      ILE   4   1.146   5.250  -8.697
   36   HG23  ILE   4          3HG2      ILE   4   2.832   5.355  -8.189
   37   HD11  ILE   4          3HD1      ILE   4  -1.287   5.601  -7.633
   38   HD12  ILE   4          1HD1      ILE   4  -0.630   4.017  -8.044
   39   HD13  ILE   4          2HD1      ILE   4  -1.660   4.204  -6.624
   40    H    THR   5           H        THR   5   2.110   0.605  -5.675
   41    HA   THR   5           HA       THR   5   4.803   0.672  -6.874
   42    HB   THR   5           HB       THR   5   3.903  -0.201  -4.139
   43    HG1  THR   5           HG1      THR   5   5.777   1.638  -5.206
   44   HG21  THR   5          3HG2      THR   5   6.505  -0.896  -5.506
   45   HG22  THR   5          1HG2      THR   5   5.254  -2.030  -4.997
   46   HG23  THR   5          2HG2      THR   5   6.166  -1.123  -3.790
   47    H    THR   6           H        THR   6   2.547  -1.655  -5.375
   48    HA   THR   6           HA       THR   6   3.521  -3.713  -7.217
   49    HB   THR   6           HB       THR   6   2.549  -5.345  -5.776
   50    HG1  THR   6           HG1      THR   6   1.313  -4.572  -3.896
   51   HG21  THR   6          3HG2      THR   6   3.548  -4.764  -3.561
   52   HG22  THR   6          1HG2      THR   6   3.830  -3.134  -4.170
   53   HG23  THR   6          2HG2      THR   6   4.635  -4.510  -4.926
   54    H    ILE   7           H        ILE   7   0.961  -1.548  -6.866
   55    HA   ILE   7           HA       ILE   7  -1.190  -3.078  -7.879
   56    HB   ILE   7           HB       ILE   7  -0.817  -0.425  -7.016
   57   HG12  ILE   7          2HG1      ILE   7  -3.263  -1.901  -8.012
   58   HG13  ILE   7          3HG1      ILE   7  -2.663  -1.856  -6.358
   59   HG21  ILE   7          1HG2      ILE   7  -0.455   0.192  -9.362
   60   HG22  ILE   7          2HG2      ILE   7  -2.013  -0.518  -9.783
   61   HG23  ILE   7          3HG2      ILE   7  -1.942   0.890  -8.723
   62   HD11  ILE   7          3HD1      ILE   7  -3.124   0.552  -6.279
   63   HD12  ILE   7          1HD1      ILE   7  -3.776   0.464  -7.915
   64   HD13  ILE   7          2HD1      ILE   7  -4.570  -0.404  -6.601
   65    H    HIS   8           H        HIS   8   1.470  -1.418  -9.390
   66    HA   HIS   8           HA       HIS   8   0.351  -2.058 -12.039
   67    HB2  HIS   8           2HB      HIS   8   1.592   0.321 -11.016
   68    HB3  HIS   8           3HB      HIS   8   2.570  -0.327 -12.330
   69    HD1  HIS   8           HD1      HIS   8  -0.243   1.809 -11.731
   70    HD2  HIS   8           HD2      HIS   8   0.864  -0.832 -14.741
   71    HE1  HIS   8           HE1      HIS   8  -1.633   2.444 -13.727
   72    H    ASN   9           H        ASN   9   2.408  -3.252  -9.828
   73    HA   ASN   9           HA       ASN   9   4.349  -4.201 -11.828
   74    HB2  ASN   9           2HB      ASN   9   5.803  -3.441 -10.273
   75    HB3  ASN   9           3HB      ASN   9   4.585  -3.432  -9.001
   76   HD21  ASN   9          1HD2      ASN   9   5.237  -4.625  -7.373
   77   HD22  ASN   9          2HD2      ASN   9   6.012  -6.166  -7.482
   78    H    LEU  10           H        LEU  10   2.109  -5.180  -9.307
   79    HA   LEU  10           HA       LEU  10   2.592  -8.000  -9.970
   80    HB2  LEU  10           2HB      LEU  10   2.788  -7.570  -7.634
   81    HB3  LEU  10           3HB      LEU  10   1.267  -6.679  -7.613
   82    HG   LEU  10           HG       LEU  10   0.010  -8.705  -7.911
   83   HD11  LEU  10          1HD1      LEU  10   0.898 -10.390  -9.046
   84   HD12  LEU  10          2HD1      LEU  10   1.879 -10.766  -7.631
   85   HD13  LEU  10          3HD1      LEU  10   2.518  -9.711  -8.890
   86   HD21  LEU  10          3HD2      LEU  10   1.976  -8.457  -5.732
   87   HD22  LEU  10          1HD2      LEU  10   1.214 -10.039  -5.900
   88   HD23  LEU  10          2HD2      LEU  10   0.219  -8.601  -5.670
   89    H    PHE  11           H        PHE  11   0.605  -5.528 -10.835
   90    HA   PHE  11           HA       PHE  11  -1.624  -7.364 -11.421
   91    HB2  PHE  11           2HB      PHE  11  -1.709  -4.972  -9.965
   92    HB3  PHE  11           3HB      PHE  11  -2.381  -4.573 -11.542
   93    HD1  PHE  11           HD1      PHE  11  -2.749  -6.743  -8.590
   94    HD2  PHE  11           HD2      PHE  11  -4.512  -5.367 -12.212
   95    HE1  PHE  11           HE1      PHE  11  -4.895  -7.745  -7.923
   96    HE2  PHE  11           HE2      PHE  11  -6.660  -6.366 -11.550
   97    HZ   PHE  11           HZ       PHE  11  -6.854  -7.556  -9.403
   98    H    ARG  12           H        ARG  12   0.871  -5.591 -12.715
   99    HA   ARG  12           HA       ARG  12  -0.050  -4.352 -14.974
  100    HB2  ARG  12           2HB      ARG  12   2.150  -5.167 -16.035
  101    HB3  ARG  12           3HB      ARG  12   2.249  -4.178 -14.584
  102    HG2  ARG  12           2HG      ARG  12   2.759  -6.046 -13.230
  103    HG3  ARG  12           3HG      ARG  12   2.331  -7.180 -14.514
  104    HD2  ARG  12           2HD      ARG  12   4.211  -6.298 -15.860
  105    HD3  ARG  12           3HD      ARG  12   4.661  -5.265 -14.504
  106    HE   ARG  12           HE       ARG  12   4.531  -7.910 -13.600
  107   HH11  ARG  12          1HH1      ARG  12   6.441  -5.917 -15.722
  108   HH12  ARG  12          2HH1      ARG  12   7.891  -6.838 -15.495
  109   HH21  ARG  12          1HH2      ARG  12   6.434  -9.131 -13.293
  110   HH22  ARG  12          2HH2      ARG  12   7.885  -8.666 -14.115
  111    H    LYS  13           H        LYS  13   0.374  -7.804 -14.430
  112    HA   LYS  13           HA       LYS  13  -0.005  -8.684 -17.068
  113    HB2  LYS  13           2HB      LYS  13  -0.648 -10.852 -16.020
  114    HB3  LYS  13           3HB      LYS  13   0.862 -10.192 -15.405
  115    HG2  LYS  13           2HG      LYS  13  -0.399  -9.299 -13.454
  116    HG3  LYS  13           3HG      LYS  13  -1.826 -10.149 -14.051
  117    HD2  LYS  13           2HD      LYS  13   0.709 -11.677 -13.696
  118    HD3  LYS  13           3HD      LYS  13  -0.230 -11.248 -12.264
  119    HE2  LYS  13           2HE      LYS  13  -2.128 -12.200 -14.033
  120    HE3  LYS  13           3HE      LYS  13  -0.743 -13.258 -14.302
  121    HZ1  LYS  13           3HZ      LYS  13  -2.503 -13.737 -12.427
  122    HZ2  LYS  13           1HZ      LYS  13  -1.510 -12.695 -11.537
  123    HZ3  LYS  13           2HZ      LYS  13  -0.866 -14.105 -12.213
  124    H    LEU  14           H        LEU  14  -2.323  -8.125 -14.444
  125    HA   LEU  14           HA       LEU  14  -4.581  -8.917 -16.028
  126    HB2  LEU  14           2HB      LEU  14  -4.126  -8.662 -13.359
  127    HB3  LEU  14           3HB      LEU  14  -5.062  -7.206 -13.691
  128    HG   LEU  14           HG       LEU  14  -6.883  -8.574 -14.580
  129   HD11  LEU  14          1HD1      LEU  14  -6.511 -10.638 -15.290
  130   HD12  LEU  14          2HD1      LEU  14  -6.178 -11.140 -13.633
  131   HD13  LEU  14          3HD1      LEU  14  -4.863 -10.579 -14.665
  132   HD21  LEU  14          3HD2      LEU  14  -5.854  -8.947 -11.819
  133   HD22  LEU  14          1HD2      LEU  14  -7.223  -9.932 -12.333
  134   HD23  LEU  14          2HD2      LEU  14  -7.336  -8.173 -12.382
  135    H    THR  15           H        THR  15  -3.259  -5.824 -14.892
  136    HA   THR  15           HA       THR  15  -5.189  -4.108 -15.889
  137    HB   THR  15           HB       THR  15  -3.593  -2.351 -15.768
  138    HG1  THR  15           HG1      THR  15  -1.684  -4.425 -16.108
  139   HG21  THR  15          3HG2      THR  15  -2.152  -3.669 -13.706
  140   HG22  THR  15          1HG2      THR  15  -3.797  -4.305 -13.707
  141   HG23  THR  15          2HG2      THR  15  -3.522  -2.569 -13.554
  142    H    HIS  16           H        HIS  16  -2.398  -5.523 -17.540
  143    HA   HIS  16           HA       HIS  16  -2.933  -4.132 -20.002
  144    HB2  HIS  16           2HB      HIS  16  -0.673  -5.132 -19.027
  145    HB3  HIS  16           3HB      HIS  16  -1.194  -6.554 -19.927
  146    HD1  HIS  16           HD1      HIS  16   0.458  -6.475 -21.818
  147    HD2  HIS  16           HD2      HIS  16  -1.532  -2.868 -21.279
  148    HE1  HIS  16           HE1      HIS  16   1.100  -5.051 -23.789
  149    H    ARG  17           H        ARG  17  -3.818  -7.158 -18.560
  150    HA   ARG  17           HA       ARG  17  -4.853  -8.186 -21.094
  151    HB2  ARG  17           2HB      ARG  17  -4.515  -9.411 -18.361
  152    HB3  ARG  17           3HB      ARG  17  -5.416 -10.208 -19.643
  153    HG2  ARG  17           2HG      ARG  17  -3.468 -10.346 -21.020
  154    HG3  ARG  17           3HG      ARG  17  -2.546  -9.345 -19.897
  155    HD2  ARG  17           2HD      ARG  17  -2.192 -11.052 -18.457
  156    HD3  ARG  17           3HD      ARG  17  -3.774 -11.770 -18.757
  157    HE   ARG  17           HE       ARG  17  -2.143 -12.081 -21.033
  158   HH11  ARG  17          1HH1      ARG  17  -2.508 -13.262 -17.779
  159   HH12  ARG  17          2HH1      ARG  17  -1.808 -14.809 -18.123
  160   HH21  ARG  17          1HH2      ARG  17  -1.219 -14.114 -21.498
  161   HH22  ARG  17          2HH2      ARG  17  -1.074 -15.292 -20.238
  162    H    LEU  18           H        LEU  18  -6.362  -8.908 -18.038
  163    HA   LEU  18           HA       LEU  18  -8.752  -7.407 -18.882
  164    HB2  LEU  18           2HB      LEU  18 -10.102  -9.220 -17.857
  165    HB3  LEU  18           3HB      LEU  18  -9.193  -9.714 -19.284
  166    HG   LEU  18           HG       LEU  18  -7.740 -10.236 -16.822
  167   HD11  LEU  18          1HD1      LEU  18 -10.090 -10.466 -16.006
  168   HD12  LEU  18          2HD1      LEU  18  -9.134 -11.945 -15.918
  169   HD13  LEU  18          3HD1      LEU  18 -10.321 -11.738 -17.205
  170   HD21  LEU  18          3HD2      LEU  18  -7.371 -12.351 -17.851
  171   HD22  LEU  18          1HD2      LEU  18  -7.288 -11.130 -19.121
  172   HD23  LEU  18          2HD2      LEU  18  -8.734 -12.125 -18.948
  173    H    PHE  19           H        PHE  19  -7.738  -5.759 -17.463
  174    HA   PHE  19           HA       PHE  19  -7.212  -5.959 -14.789
  175    HB2  PHE  19           2HB      PHE  19  -7.088  -3.899 -16.318
  176    HB3  PHE  19           3HB      PHE  19  -8.777  -3.635 -15.896
  177    HD1  PHE  19           HD1      PHE  19  -5.751  -4.637 -13.952
  178    HD2  PHE  19           HD2      PHE  19  -8.991  -1.913 -14.403
  179    HE1  PHE  19           HE1      PHE  19  -5.050  -3.469 -11.903
  180    HE2  PHE  19           HE2      PHE  19  -8.294  -0.740 -12.355
  181    HZ   PHE  19           HZ       PHE  19  -6.322  -1.518 -11.102
  182    H    ARG  20           H        ARG  20 -10.358  -4.768 -15.971
  183    HA   ARG  20           HA       ARG  20 -11.593  -5.919 -13.563
  184    HB2  ARG  20           2HB      ARG  20 -13.375  -4.286 -13.853
  185    HB3  ARG  20           3HB      ARG  20 -11.814  -3.479 -13.799
  186    HG2  ARG  20           2HG      ARG  20 -12.613  -2.384 -15.586
  187    HG3  ARG  20           3HG      ARG  20 -12.079  -3.823 -16.456
  188    HD2  ARG  20           2HD      ARG  20 -14.168  -4.178 -17.116
  189    HD3  ARG  20           3HD      ARG  20 -14.652  -4.375 -15.431
  190    HE   ARG  20           HE       ARG  20 -14.497  -1.632 -16.068
  191   HH11  ARG  20          1HH1      ARG  20 -16.448  -4.454 -16.666
  192   HH12  ARG  20          2HH1      ARG  20 -17.907  -3.553 -16.912
  193   HH21  ARG  20          1HH2      ARG  20 -16.412  -0.436 -16.389
  194   HH22  ARG  20          2HH2      ARG  20 -17.886  -1.268 -16.755
  195    H    ARG  21           H        ARG  21 -11.644  -5.887 -17.038
  196    HA   ARG  21           HA       ARG  21 -14.163  -7.135 -17.403
  197    HB2  ARG  21           2HB      ARG  21 -11.829  -6.470 -19.071
  198    HB3  ARG  21           3HB      ARG  21 -12.735  -7.878 -19.607
  199    HG2  ARG  21           2HG      ARG  21 -14.743  -6.596 -19.803
  200    HG3  ARG  21           3HG      ARG  21 -13.977  -5.195 -19.052
  201    HD2  ARG  21           2HD      ARG  21 -13.745  -4.587 -21.230
  202    HD3  ARG  21           3HD      ARG  21 -12.272  -5.542 -21.060
  203    HE   ARG  21           HE       ARG  21 -13.129  -7.020 -22.567
  204   HH11  ARG  21          1HH1      ARG  21 -15.752  -5.180 -21.205
  205   HH12  ARG  21          2HH1      ARG  21 -16.951  -5.872 -22.246
  206   HH21  ARG  21          1HH2      ARG  21 -14.699  -7.938 -23.944
  207   HH22  ARG  21          2HH2      ARG  21 -16.351  -7.442 -23.804
  Start of MODEL   19
    1    H1   LYS   1           H        LYS   1   1.697  -0.844   0.656
    2    HA   LYS   1           HA       LYS   1   1.628   1.191  -1.467
    3    HB2  LYS   1           2HB      LYS   1   3.750  -0.793  -0.654
    4    HB3  LYS   1           3HB      LYS   1   3.820   0.104  -2.165
    5    HG2  LYS   1           2HG      LYS   1   3.547   2.185  -0.629
    6    HG3  LYS   1           3HG      LYS   1   4.103   1.088   0.637
    7    HD2  LYS   1           2HD      LYS   1   6.193   1.471  -0.018
    8    HD3  LYS   1           3HD      LYS   1   5.816   0.689  -1.555
    9    HE2  LYS   1           2HE      LYS   1   5.257   2.752  -2.572
   10    HE3  LYS   1           3HE      LYS   1   5.229   3.591  -1.022
   11    HZ1  LYS   1           3HZ      LYS   1   7.471   3.766  -0.970
   12    HZ2  LYS   1           1HZ      LYS   1   7.290   3.704  -2.651
   13    HZ3  LYS   1           2HZ      LYS   1   7.735   2.314  -1.797
   14    H    TYR   2           H        TYR   2  -0.494  -0.433  -1.579
   15    HA   TYR   2           HA       TYR   2   0.168  -2.327  -3.739
   16    HB2  TYR   2           2HB      TYR   2  -0.941  -3.005  -1.336
   17    HB3  TYR   2           3HB      TYR   2  -2.377  -2.760  -2.324
   18    HD1  TYR   2           HD1      TYR   2  -1.733  -3.770  -4.910
   19    HD2  TYR   2           HD2      TYR   2  -0.514  -5.260  -1.115
   20    HE1  TYR   2           HE1      TYR   2  -1.447  -6.009  -5.887
   21    HE2  TYR   2           HE2      TYR   2  -0.224  -7.503  -2.083
   22    HH   TYR   2           HH       TYR   2  -0.984  -8.805  -3.970
   23    H    GLU   3           H        GLU   3  -0.404   0.471  -4.050
   24    HA   GLU   3           HA       GLU   3  -2.965   0.309  -5.500
   25    HB2  GLU   3           2HB      GLU   3  -3.040   2.828  -5.190
   26    HB3  GLU   3           3HB      GLU   3  -3.317   1.858  -3.750
   27    HG2  GLU   3           2HG      GLU   3  -0.917   2.192  -3.156
   28    HG3  GLU   3           3HG      GLU   3  -0.801   3.320  -4.506
   29    H    ILE   4           H        ILE   4   0.200   1.932  -5.439
   30    HA   ILE   4           HA       ILE   4   0.118   1.989  -8.384
   31    HB   ILE   4           HB       ILE   4   1.612   4.027  -8.207
   32   HG12  ILE   4          2HG1      ILE   4   0.438   4.569  -5.531
   33   HG13  ILE   4          3HG1      ILE   4   1.797   3.453  -5.593
   34   HG21  ILE   4          1HG2      ILE   4  -1.286   3.915  -7.572
   35   HG22  ILE   4          2HG2      ILE   4  -0.470   5.473  -7.444
   36   HG23  ILE   4          3HG2      ILE   4  -0.459   4.595  -8.973
   37   HD11  ILE   4          3HD1      ILE   4   3.263   5.088  -5.961
   38   HD12  ILE   4          1HD1      ILE   4   2.216   5.896  -7.128
   39   HD13  ILE   4          2HD1      ILE   4   1.981   6.161  -5.400
   40    H    THR   5           H        THR   5   1.610   0.730  -5.713
   41    HA   THR   5           HA       THR   5   4.248   0.555  -6.988
   42    HB   THR   5           HB       THR   5   3.317   0.090  -4.166
   43    HG1  THR   5           HG1      THR   5   5.022   1.860  -5.525
   44   HG21  THR   5          3HG2      THR   5   5.825  -0.906  -5.488
   45   HG22  THR   5          1HG2      THR   5   4.701  -1.785  -4.452
   46   HG23  THR   5          2HG2      THR   5   5.766  -0.561  -3.760
   47    H    THR   6           H        THR   6   2.367  -1.685  -4.956
   48    HA   THR   6           HA       THR   6   3.421  -3.965  -6.335
   49    HB   THR   6           HB       THR   6   1.106  -3.938  -4.396
   50    HG1  THR   6           HG1      THR   6   2.559  -3.925  -2.775
   51   HG21  THR   6          3HG2      THR   6   3.144  -6.095  -4.928
   52   HG22  THR   6          1HG2      THR   6   1.582  -6.017  -5.742
   53   HG23  THR   6          2HG2      THR   6   1.655  -6.221  -3.992
   54    H    ILE   7           H        ILE   7   0.591  -1.992  -6.614
   55    HA   ILE   7           HA       ILE   7  -1.103  -3.828  -7.933
   56    HB   ILE   7           HB       ILE   7  -1.115  -0.979  -7.360
   57   HG12  ILE   7          2HG1      ILE   7  -2.601  -2.753  -6.391
   58   HG13  ILE   7          3HG1      ILE   7  -3.467  -1.367  -7.045
   59   HG21  ILE   7          1HG2      ILE   7  -0.987  -0.691  -9.744
   60   HG22  ILE   7          2HG2      ILE   7  -2.247  -1.897  -9.998
   61   HG23  ILE   7          3HG2      ILE   7  -2.638  -0.364  -9.219
   62   HD11  ILE   7          3HD1      ILE   7  -3.989  -2.629  -9.055
   63   HD12  ILE   7          1HD1      ILE   7  -3.096  -4.014  -8.427
   64   HD13  ILE   7          2HD1      ILE   7  -4.561  -3.464  -7.612
   65    H    HIS   8           H        HIS   8   1.581  -1.909  -9.000
   66    HA   HIS   8           HA       HIS   8   0.945  -2.251 -11.813
   67    HB2  HIS   8           2HB      HIS   8   2.624  -0.505 -10.271
   68    HB3  HIS   8           3HB      HIS   8   3.591  -1.298 -11.512
   69    HD1  HIS   8           HD1      HIS   8   3.713   0.074 -13.550
   70    HD2  HIS   8           HD2      HIS   8   0.046   0.493 -11.643
   71    HE1  HIS   8           HE1      HIS   8   2.401   1.689 -14.963
   72    H    ASN   9           H        ASN   9   2.074  -4.266  -9.546
   73    HA   ASN   9           HA       ASN   9   3.873  -5.647 -11.429
   74    HB2  ASN   9           2HB      ASN   9   4.002  -6.105  -8.466
   75    HB3  ASN   9           3HB      ASN   9   5.250  -6.354  -9.684
   76   HD21  ASN   9          1HD2      ASN   9   5.235  -4.842  -7.141
   77   HD22  ASN   9          2HD2      ASN   9   5.745  -3.246  -7.559
   78    H    LEU  10           H        LEU  10   1.208  -5.897  -9.193
   79    HA   LEU  10           HA       LEU  10   0.930  -8.758  -9.789
   80    HB2  LEU  10           2HB      LEU  10   0.929  -8.167  -7.431
   81    HB3  LEU  10           3HB      LEU  10  -0.402  -7.043  -7.697
   82    HG   LEU  10           HG       LEU  10  -1.198  -9.634  -8.591
   83   HD11  LEU  10          1HD1      LEU  10   0.051 -10.917  -7.223
   84   HD12  LEU  10          2HD1      LEU  10  -1.142 -10.427  -6.022
   85   HD13  LEU  10          3HD1      LEU  10   0.405  -9.587  -6.120
   86   HD21  LEU  10          3HD2      LEU  10  -2.291  -7.446  -7.354
   87   HD22  LEU  10          1HD2      LEU  10  -2.308  -8.660  -6.075
   88   HD23  LEU  10          2HD2      LEU  10  -3.102  -8.991  -7.615
   89    H    PHE  11           H        PHE  11  -0.187  -5.791 -10.811
   90    HA   PHE  11           HA       PHE  11  -2.661  -6.997 -11.861
   91    HB2  PHE  11           2HB      PHE  11  -2.514  -4.817 -10.173
   92    HB3  PHE  11           3HB      PHE  11  -2.645  -4.074 -11.764
   93    HD1  PHE  11           HD1      PHE  11  -4.634  -4.366 -13.116
   94    HD2  PHE  11           HD2      PHE  11  -4.322  -6.113  -9.247
   95    HE1  PHE  11           HE1      PHE  11  -7.063  -4.760 -13.102
   96    HE2  PHE  11           HE2      PHE  11  -6.750  -6.510  -9.227
   97    HZ   PHE  11           HZ       PHE  11  -8.124  -5.834 -11.156
   98    H    ARG  12           H        ARG  12   0.349  -5.871 -12.629
   99    HA   ARG  12           HA       ARG  12   0.101  -4.301 -14.875
  100    HB2  ARG  12           2HB      ARG  12   2.217  -5.535 -15.662
  101    HB3  ARG  12           3HB      ARG  12   2.286  -4.677 -14.129
  102    HG2  ARG  12           2HG      ARG  12   2.759  -6.535 -13.011
  103    HG3  ARG  12           3HG      ARG  12   1.435  -7.417 -13.776
  104    HD2  ARG  12           2HD      ARG  12   3.728  -8.349 -14.197
  105    HD3  ARG  12           3HD      ARG  12   2.785  -7.992 -15.643
  106    HE   ARG  12           HE       ARG  12   4.338  -6.414 -16.223
  107   HH11  ARG  12          1HH1      ARG  12   4.766  -7.260 -12.873
  108   HH12  ARG  12          2HH1      ARG  12   6.240  -6.366 -12.701
  109   HH21  ARG  12          1HH2      ARG  12   6.277  -5.233 -16.009
  110   HH22  ARG  12          2HH2      ARG  12   7.098  -5.212 -14.485
  111    H    LYS  13           H        LYS  13  -0.293  -7.791 -14.584
  112    HA   LYS  13           HA       LYS  13  -0.409  -8.448 -17.296
  113    HB2  LYS  13           2HB      LYS  13  -1.729 -10.427 -16.546
  114    HB3  LYS  13           3HB      LYS  13  -0.244 -10.181 -15.638
  115    HG2  LYS  13           2HG      LYS  13  -1.686  -8.978 -13.920
  116    HG3  LYS  13           3HG      LYS  13  -3.069  -9.672 -14.769
  117    HD2  LYS  13           2HD      LYS  13  -2.635 -11.212 -13.073
  118    HD3  LYS  13           3HD      LYS  13  -1.848 -11.919 -14.486
  119    HE2  LYS  13           2HE      LYS  13   0.300 -11.105 -13.751
  120    HE3  LYS  13           3HE      LYS  13  -0.448 -10.240 -12.409
  121    HZ1  LYS  13           3HZ      LYS  13  -1.309 -12.738 -11.987
  122    HZ2  LYS  13           1HZ      LYS  13   0.077 -12.082 -11.274
  123    HZ3  LYS  13           2HZ      LYS  13   0.213 -13.044 -12.658
  124    H    LEU  14           H        LEU  14  -2.982  -7.441 -15.074
  125    HA   LEU  14           HA       LEU  14  -5.028  -7.602 -17.076
  126    HB2  LEU  14           2HB      LEU  14  -5.002  -6.288 -14.364
  127    HB3  LEU  14           3HB      LEU  14  -6.430  -6.470 -15.380
  128    HG   LEU  14           HG       LEU  14  -4.926  -8.923 -14.622
  129   HD11  LEU  14          1HD1      LEU  14  -5.202  -7.444 -12.565
  130   HD12  LEU  14          2HD1      LEU  14  -5.857  -9.079 -12.479
  131   HD13  LEU  14          3HD1      LEU  14  -6.935  -7.711 -12.751
  132   HD21  LEU  14          3HD2      LEU  14  -6.729  -9.350 -16.031
  133   HD22  LEU  14          1HD2      LEU  14  -7.757  -8.156 -15.239
  134   HD23  LEU  14          2HD2      LEU  14  -7.380  -9.674 -14.424
  135    H    THR  15           H        THR  15  -3.251  -4.959 -15.508
  136    HA   THR  15           HA       THR  15  -4.475  -2.767 -16.602
  137    HB   THR  15           HB       THR  15  -2.427  -1.540 -16.317
  138    HG1  THR  15           HG1      THR  15  -0.492  -2.460 -16.448
  139   HG21  THR  15          3HG2      THR  15  -1.689  -3.018 -14.076
  140   HG22  THR  15          1HG2      THR  15  -3.392  -3.403 -14.321
  141   HG23  THR  15          2HG2      THR  15  -2.885  -1.724 -14.138
  142    H    HIS  16           H        HIS  16  -2.185  -4.950 -18.140
  143    HA   HIS  16           HA       HIS  16  -2.191  -3.350 -20.581
  144    HB2  HIS  16           2HB      HIS  16  -0.140  -4.585 -19.497
  145    HB3  HIS  16           3HB      HIS  16  -0.792  -5.987 -20.341
  146    HD1  HIS  16           HD1      HIS  16   1.600  -5.754 -21.620
  147    HD2  HIS  16           HD2      HIS  16  -1.265  -2.860 -22.442
  148    HE1  HIS  16           HE1      HIS  16   2.337  -4.669 -23.765
  149    H    ARG  17           H        ARG  17  -3.600  -6.217 -19.248
  150    HA   ARG  17           HA       ARG  17  -4.596  -7.051 -21.875
  151    HB2  ARG  17           2HB      ARG  17  -3.589  -8.799 -20.494
  152    HB3  ARG  17           3HB      ARG  17  -4.715  -8.440 -19.193
  153    HG2  ARG  17           2HG      ARG  17  -5.298 -10.455 -20.515
  154    HG3  ARG  17           3HG      ARG  17  -6.565  -9.226 -20.484
  155    HD2  ARG  17           2HD      ARG  17  -6.496  -8.978 -22.699
  156    HD3  ARG  17           3HD      ARG  17  -4.739  -8.835 -22.697
  157    HE   ARG  17           HE       ARG  17  -4.591 -11.046 -23.279
  158   HH11  ARG  17          1HH1      ARG  17  -7.819 -10.365 -22.166
  159   HH12  ARG  17          2HH1      ARG  17  -8.447 -11.909 -22.636
  160   HH21  ARG  17          1HH2      ARG  17  -5.407 -13.083 -23.902
  161   HH22  ARG  17          2HH2      ARG  17  -7.074 -13.455 -23.623
  162    H    LEU  18           H        LEU  18  -6.246  -7.575 -18.823
  163    HA   LEU  18           HA       LEU  18  -8.463  -5.886 -19.780
  164    HB2  LEU  18           2HB      LEU  18 -10.008  -7.496 -18.728
  165    HB3  LEU  18           3HB      LEU  18  -9.092  -8.180 -20.069
  166    HG   LEU  18           HG       LEU  18  -7.661  -8.742 -17.688
  167   HD11  LEU  18          1HD1      LEU  18 -10.029  -8.284 -16.734
  168   HD12  LEU  18          2HD1      LEU  18  -9.160  -9.737 -16.241
  169   HD13  LEU  18          3HD1      LEU  18 -10.431  -9.841 -17.459
  170   HD21  LEU  18          3HD2      LEU  18  -9.225 -10.919 -18.836
  171   HD22  LEU  18          1HD2      LEU  18  -7.477 -10.724 -18.701
  172   HD23  LEU  18          2HD2      LEU  18  -8.346  -9.978 -20.042
  173    H    PHE  19           H        PHE  19  -7.369  -4.253 -18.437
  174    HA   PHE  19           HA       PHE  19  -6.985  -4.457 -15.689
  175    HB2  PHE  19           2HB      PHE  19  -6.283  -2.569 -17.272
  176    HB3  PHE  19           3HB      PHE  19  -7.907  -1.928 -17.045
  177    HD1  PHE  19           HD1      PHE  19  -5.484  -3.475 -14.671
  178    HD2  PHE  19           HD2      PHE  19  -7.767  -0.044 -15.736
  179    HE1  PHE  19           HE1      PHE  19  -4.745  -2.349 -12.613
  180    HE2  PHE  19           HE2      PHE  19  -7.031   1.088 -13.679
  181    HZ   PHE  19           HZ       PHE  19  -5.517  -0.064 -12.115
  182    H    ARG  20           H        ARG  20  -9.894  -4.250 -17.500
  183    HA   ARG  20           HA       ARG  20 -11.678  -3.025 -15.808
  184    HB2  ARG  20           2HB      ARG  20 -13.406  -4.514 -16.783
  185    HB3  ARG  20           3HB      ARG  20 -12.347  -3.805 -17.995
  186    HG2  ARG  20           2HG      ARG  20 -11.017  -5.990 -17.830
  187    HG3  ARG  20           3HG      ARG  20 -12.443  -6.629 -17.008
  188    HD2  ARG  20           2HD      ARG  20 -13.624  -5.499 -19.131
  189    HD3  ARG  20           3HD      ARG  20 -12.054  -5.873 -19.841
  190    HE   ARG  20           HE       ARG  20 -13.001  -8.137 -18.482
  191   HH11  ARG  20          1HH1      ARG  20 -13.703  -6.220 -21.302
  192   HH12  ARG  20          2HH1      ARG  20 -14.392  -7.541 -22.188
  193   HH21  ARG  20          1HH2      ARG  20 -13.905  -9.883 -19.638
  194   HH22  ARG  20          2HH2      ARG  20 -14.507  -9.623 -21.240
  195    H    ARG  21           H        ARG  21 -10.328  -6.266 -15.581
  196    HA   ARG  21           HA       ARG  21 -11.998  -6.982 -13.334
  197    HB2  ARG  21           2HB      ARG  21 -11.344  -8.721 -14.893
  198    HB3  ARG  21           3HB      ARG  21  -9.642  -8.376 -14.614
  199    HG2  ARG  21           2HG      ARG  21 -11.178  -9.035 -12.203
  200    HG3  ARG  21           3HG      ARG  21 -11.035 -10.339 -13.383
  201    HD2  ARG  21           2HD      ARG  21  -8.850 -10.629 -12.969
  202    HD3  ARG  21           3HD      ARG  21  -8.539  -8.895 -12.905
  203    HE   ARG  21           HE       ARG  21  -8.659  -9.016 -10.632
  204   HH11  ARG  21          1HH1      ARG  21 -10.266 -11.795 -11.980
  205   HH12  ARG  21          2HH1      ARG  21 -10.540 -12.545 -10.442
  206   HH21  ARG  21          1HH2      ARG  21  -9.015  -9.993  -8.602
  207   HH22  ARG  21          2HH2      ARG  21  -9.830 -11.519  -8.521
  Start of MODEL   20
    1    H1   LYS   1           H        LYS   1   3.021  -2.110   0.506
    2    HA   LYS   1           HA       LYS   1   1.834   0.008   0.017
    3    HB2  LYS   1           2HB      LYS   1   4.157   0.338  -1.891
    4    HB3  LYS   1           3HB      LYS   1   2.762   1.405  -1.790
    5    HG2  LYS   1           2HG      LYS   1   3.991   2.622  -0.394
    6    HG3  LYS   1           3HG      LYS   1   3.679   1.358   0.797
    7    HD2  LYS   1           2HD      LYS   1   5.902   1.143   0.918
    8    HD3  LYS   1           3HD      LYS   1   5.787   0.338  -0.649
    9    HE2  LYS   1           2HE      LYS   1   6.572   2.148  -1.789
   10    HE3  LYS   1           3HE      LYS   1   5.895   3.302  -0.641
   11    HZ1  LYS   1           3HZ      LYS   1   7.705   3.157   0.715
   12    HZ2  LYS   1           1HZ      LYS   1   8.458   2.873  -0.773
   13    HZ3  LYS   1           2HZ      LYS   1   8.091   1.577   0.249
   14    H    TYR   2           H        TYR   2   0.080  -0.665  -1.009
   15    HA   TYR   2           HA       TYR   2   0.412  -2.214  -3.495
   16    HB2  TYR   2           2HB      TYR   2  -0.648  -3.195  -1.188
   17    HB3  TYR   2           3HB      TYR   2  -2.095  -2.595  -1.990
   18    HD1  TYR   2           HD1      TYR   2  -1.908  -3.192  -4.713
   19    HD2  TYR   2           HD2      TYR   2  -0.357  -5.458  -1.462
   20    HE1  TYR   2           HE1      TYR   2  -1.986  -5.222  -6.099
   21    HE2  TYR   2           HE2      TYR   2  -0.430  -7.494  -2.840
   22    HH   TYR   2           HH       TYR   2  -1.578  -8.353  -4.797
   23    H    GLU   3           H        GLU   3   0.221   0.601  -3.415
   24    HA   GLU   3           HA       GLU   3  -2.445   1.014  -4.603
   25    HB2  GLU   3           2HB      GLU   3  -0.728   3.008  -3.114
   26    HB3  GLU   3           3HB      GLU   3  -2.230   3.398  -3.941
   27    HG2  GLU   3           2HG      GLU   3  -2.332   1.230  -1.936
   28    HG3  GLU   3           3HG      GLU   3  -2.101   2.871  -1.336
   29    H    ILE   4           H        ILE   4   0.882   2.293  -4.633
   30    HA   ILE   4           HA       ILE   4   0.642   2.575  -7.554
   31    HB   ILE   4           HB       ILE   4   2.250   4.476  -5.864
   32   HG12  ILE   4          2HG1      ILE   4  -0.069   4.701  -5.158
   33   HG13  ILE   4          3HG1      ILE   4   0.392   6.091  -6.134
   34   HG21  ILE   4          1HG2      ILE   4   2.140   3.991  -8.599
   35   HG22  ILE   4          2HG2      ILE   4   1.190   5.458  -8.365
   36   HG23  ILE   4          3HG2      ILE   4   2.859   5.389  -7.799
   37   HD11  ILE   4          3HD1      ILE   4  -0.672   4.177  -7.899
   38   HD12  ILE   4          1HD1      ILE   4  -1.755   4.261  -6.510
   39   HD13  ILE   4          2HD1      ILE   4  -1.366   5.724  -7.416
   40    H    THR   5           H        THR   5   2.026   0.801  -5.309
   41    HA   THR   5           HA       THR   5   4.707   0.802  -6.517
   42    HB   THR   5           HB       THR   5   3.712  -0.179  -3.851
   43    HG1  THR   5           HG1      THR   5   4.552   2.056  -4.332
   44   HG21  THR   5          3HG2      THR   5   6.378  -0.773  -5.139
   45   HG22  THR   5          1HG2      THR   5   5.123  -1.948  -4.751
   46   HG23  THR   5          2HG2      THR   5   5.963  -1.096  -3.456
   47    H    THR   6           H        THR   6   2.556  -1.637  -5.049
   48    HA   THR   6           HA       THR   6   3.511  -3.600  -6.985
   49    HB   THR   6           HB       THR   6   2.526  -5.284  -5.612
   50    HG1  THR   6           HG1      THR   6   1.386  -4.307  -3.602
   51   HG21  THR   6          3HG2      THR   6   3.510  -4.786  -3.377
   52   HG22  THR   6          1HG2      THR   6   3.775  -3.126  -3.910
   53   HG23  THR   6          2HG2      THR   6   4.604  -4.456  -4.720
   54    H    ILE   7           H        ILE   7   0.931  -1.465  -6.601
   55    HA   ILE   7           HA       ILE   7  -1.214  -2.955  -7.658
   56    HB   ILE   7           HB       ILE   7  -0.724  -0.214  -6.945
   57   HG12  ILE   7          2HG1      ILE   7  -2.421  -1.760  -5.981
   58   HG13  ILE   7          3HG1      ILE   7  -3.105  -0.225  -6.504
   59   HG21  ILE   7          1HG2      ILE   7  -0.716   0.253  -9.320
   60   HG22  ILE   7          2HG2      ILE   7  -2.224  -0.637  -9.525
   61   HG23  ILE   7          3HG2      ILE   7  -2.204   0.861  -8.595
   62   HD11  ILE   7          3HD1      ILE   7  -4.267  -2.517  -7.050
   63   HD12  ILE   7          1HD1      ILE   7  -4.294  -1.175  -8.193
   64   HD13  ILE   7          2HD1      ILE   7  -3.145  -2.496  -8.410
   65    H    HIS   8           H        HIS   8   1.470  -1.305  -9.152
   66    HA   HIS   8           HA       HIS   8   0.390  -1.995 -11.804
   67    HB2  HIS   8           2HB      HIS   8   1.547   0.434 -10.803
   68    HB3  HIS   8           3HB      HIS   8   2.558  -0.202 -12.097
   69    HD1  HIS   8           HD1      HIS   8   1.960   1.059 -14.136
   70    HD2  HIS   8           HD2      HIS   8  -1.399   0.006 -11.930
   71    HE1  HIS   8           HE1      HIS   8  -0.008   1.825 -15.501
   72    H    ASN   9           H        ASN   9   2.475  -3.074  -9.550
   73    HA   ASN   9           HA       ASN   9   4.480  -3.973 -11.505
   74    HB2  ASN   9           2HB      ASN   9   5.817  -3.124  -9.872
   75    HB3  ASN   9           3HB      ASN   9   4.587  -3.308  -8.625
   76   HD21  ASN   9          1HD2      ASN   9   5.432  -4.486  -7.066
   77   HD22  ASN   9          2HD2      ASN   9   6.293  -5.969  -7.268
   78    H    LEU  10           H        LEU  10   2.206  -5.051  -9.052
   79    HA   LEU  10           HA       LEU  10   2.779  -7.846  -9.752
   80    HB2  LEU  10           2HB      LEU  10   2.918  -7.445  -7.404
   81    HB3  LEU  10           3HB      LEU  10   1.369  -6.604  -7.400
   82    HG   LEU  10           HG       LEU  10   0.184  -8.662  -7.749
   83   HD11  LEU  10          1HD1      LEU  10   2.742  -9.575  -8.700
   84   HD12  LEU  10          2HD1      LEU  10   1.143 -10.284  -8.919
   85   HD13  LEU  10          3HD1      LEU  10   2.093 -10.679  -7.487
   86   HD21  LEU  10          3HD2      LEU  10   2.020  -9.699  -5.727
   87   HD22  LEU  10          1HD2      LEU  10   0.312  -9.276  -5.602
   88   HD23  LEU  10          2HD2      LEU  10   1.544  -8.021  -5.463
   89    H    PHE  11           H        PHE  11   0.751  -5.419 -10.629
   90    HA   PHE  11           HA       PHE  11  -1.423  -7.300 -11.275
   91    HB2  PHE  11           2HB      PHE  11  -1.595  -4.928  -9.799
   92    HB3  PHE  11           3HB      PHE  11  -2.237  -4.523 -11.387
   93    HD1  PHE  11           HD2      PHE  11  -2.582  -6.892  -8.563
   94    HD2  PHE  11           HD1      PHE  11  -4.384  -5.194 -12.025
   95    HE1  PHE  11           HE2      PHE  11  -4.722  -7.945  -7.961
   96    HE2  PHE  11           HE1      PHE  11  -6.528  -6.244 -11.428
   97    HZ   PHE  11           HZ       PHE  11  -6.698  -7.622  -9.394
   98    H    ARG  12           H        ARG  12   1.083  -5.564 -12.526
   99    HA   ARG  12           HA       ARG  12   0.182  -4.287 -14.787
  100    HB2  ARG  12           2HB      ARG  12   2.408  -5.052 -15.812
  101    HB3  ARG  12           3HB      ARG  12   2.474  -4.099 -14.336
  102    HG2  ARG  12           2HG      ARG  12   3.289  -5.810 -13.102
  103    HG3  ARG  12           3HG      ARG  12   2.408  -7.035 -14.016
  104    HD2  ARG  12           2HD      ARG  12   4.650  -5.527 -15.296
  105    HD3  ARG  12           3HD      ARG  12   4.998  -6.879 -14.219
  106    HE   ARG  12           HE       ARG  12   3.921  -7.015 -16.879
  107   HH11  ARG  12          1HH1      ARG  12   4.176  -8.634 -13.808
  108   HH12  ARG  12          2HH1      ARG  12   3.908 -10.212 -14.470
  109   HH21  ARG  12          1HH2      ARG  12   3.567  -9.088 -17.763
  110   HH22  ARG  12          2HH2      ARG  12   3.563 -10.469 -16.721
  111    H    LYS  13           H        LYS  13   0.523  -7.726 -14.207
  112    HA   LYS  13           HA       LYS  13   0.248  -8.612 -16.868
  113    HB2  LYS  13           2HB      LYS  13  -0.382 -10.781 -15.861
  114    HB3  LYS  13           3HB      LYS  13   1.064 -10.095 -15.133
  115    HG2  LYS  13           2HG      LYS  13  -0.344  -9.253 -13.268
  116    HG3  LYS  13           3HG      LYS  13  -1.714 -10.111 -13.976
  117    HD2  LYS  13           2HD      LYS  13   0.548 -11.869 -13.760
  118    HD3  LYS  13           3HD      LYS  13   0.212 -11.120 -12.198
  119    HE2  LYS  13           2HE      LYS  13  -1.213 -12.885 -12.050
  120    HE3  LYS  13           3HE      LYS  13  -2.280 -11.750 -12.874
  121    HZ1  LYS  13           3HZ      LYS  13  -2.179 -14.041 -13.844
  122    HZ2  LYS  13           1HZ      LYS  13  -0.590 -13.708 -14.319
  123    HZ3  LYS  13           2HZ      LYS  13  -1.868 -12.788 -14.937
  124    H    LEU  14           H        LEU  14  -2.108  -7.825 -14.371
  125    HA   LEU  14           HA       LEU  14  -4.335  -8.658 -16.029
  126    HB2  LEU  14           2HB      LEU  14  -3.975  -8.522 -13.340
  127    HB3  LEU  14           3HB      LEU  14  -4.873  -7.035 -13.639
  128    HG   LEU  14           HG       LEU  14  -6.372  -8.850 -15.006
  129   HD11  LEU  14          1HD1      LEU  14  -5.827 -10.310 -12.476
  130   HD12  LEU  14          2HD1      LEU  14  -4.734 -10.554 -13.837
  131   HD13  LEU  14          3HD1      LEU  14  -6.453 -10.903 -14.015
  132   HD21  LEU  14          3HD2      LEU  14  -6.912  -7.069 -13.205
  133   HD22  LEU  14          1HD2      LEU  14  -6.822  -8.424 -12.079
  134   HD23  LEU  14          2HD2      LEU  14  -7.992  -8.451 -13.398
  135    H    THR  15           H        THR  15  -3.096  -5.615 -14.667
  136    HA   THR  15           HA       THR  15  -4.945  -3.841 -15.659
  137    HB   THR  15           HB       THR  15  -3.310  -2.114 -15.473
  138    HG1  THR  15           HG1      THR  15  -1.536  -2.758 -16.546
  139   HG21  THR  15          3HG2      THR  15  -1.960  -3.478 -13.396
  140   HG22  THR  15          1HG2      THR  15  -3.597  -4.129 -13.466
  141   HG23  THR  15          2HG2      THR  15  -3.344  -2.395 -13.264
  142    H    HIS  16           H        HIS  16  -2.192  -5.283 -17.336
  143    HA   HIS  16           HA       HIS  16  -2.687  -3.781 -19.753
  144    HB2  HIS  16           2HB      HIS  16  -0.437  -4.853 -18.759
  145    HB3  HIS  16           3HB      HIS  16  -0.936  -6.181 -19.803
  146    HD1  HIS  16           HD1      HIS  16   0.678  -2.896 -19.854
  147    HD2  HIS  16           HD2      HIS  16  -1.148  -5.429 -22.595
  148    HE1  HIS  16           HE1      HIS  16   1.394  -2.066 -22.117
  149    H    ARG  17           H        ARG  17  -3.457  -6.925 -18.454
  150    HA   ARG  17           HA       ARG  17  -4.503  -7.845 -21.019
  151    HB2  ARG  17           2HB      ARG  17  -3.213  -9.434 -19.685
  152    HB3  ARG  17           3HB      ARG  17  -4.324  -9.230 -18.338
  153    HG2  ARG  17           2HG      ARG  17  -4.682 -11.309 -19.634
  154    HG3  ARG  17           3HG      ARG  17  -6.101 -10.262 -19.561
  155    HD2  ARG  17           2HD      ARG  17  -6.146 -10.029 -21.777
  156    HD3  ARG  17           3HD      ARG  17  -4.427  -9.641 -21.838
  157    HE   ARG  17           HE       ARG  17  -3.998 -11.805 -22.441
  158   HH11  ARG  17          1HH1      ARG  17  -7.221 -11.604 -21.139
  159   HH12  ARG  17          2HH1      ARG  17  -7.635 -13.231 -21.565
  160   HH21  ARG  17          1HH2      ARG  17  -4.532 -13.949 -23.007
  161   HH22  ARG  17          2HH2      ARG  17  -6.105 -14.565 -22.627
  162    H    LEU  18           H        LEU  18  -5.967  -8.647 -17.943
  163    HA   LEU  18           HA       LEU  18  -8.410  -7.222 -18.768
  164    HB2  LEU  18           2HB      LEU  18  -9.702  -9.069 -17.749
  165    HB3  LEU  18           3HB      LEU  18  -8.767  -9.552 -19.163
  166    HG   LEU  18           HG       LEU  18  -7.146 -10.077 -16.922
  167   HD11  LEU  18          1HD1      LEU  18  -9.622  -9.936 -15.904
  168   HD12  LEU  18          2HD1      LEU  18  -8.396 -11.060 -15.319
  169   HD13  LEU  18          3HD1      LEU  18  -9.625 -11.610 -16.458
  170   HD21  LEU  18          3HD2      LEU  18  -8.651 -12.304 -18.118
  171   HD22  LEU  18          1HD2      LEU  18  -6.912 -12.063 -17.954
  172   HD23  LEU  18          2HD2      LEU  18  -7.792 -11.268 -19.259
  173    H    PHE  19           H        PHE  19  -7.399  -5.553 -17.354
  174    HA   PHE  19           HA       PHE  19  -6.854  -5.734 -14.688
  175    HB2  PHE  19           2HB      PHE  19  -6.794  -3.671 -16.207
  176    HB3  PHE  19           3HB      PHE  19  -8.491  -3.457 -15.790
  177    HD1  PHE  19           HD1      PHE  19  -5.615  -4.528 -13.687
  178    HD2  PHE  19           HD2      PHE  19  -8.587  -1.578 -14.450
  179    HE1  PHE  19           HE1      PHE  19  -4.955  -3.337 -11.637
  180    HE2  PHE  19           HE2      PHE  19  -7.932  -0.383 -12.402
  181    HZ   PHE  19           HZ       PHE  19  -6.113  -1.261 -10.993
  182    H    ARG  20           H        ARG  20 -10.049  -5.462 -16.183
  183    HA   ARG  20           HA       ARG  20 -11.238  -6.154 -13.576
  184    HB2  ARG  20           2HB      ARG  20 -13.287  -4.973 -14.365
  185    HB3  ARG  20           3HB      ARG  20 -11.899  -3.915 -14.153
  186    HG2  ARG  20           2HG      ARG  20 -11.508  -4.244 -16.664
  187    HG3  ARG  20           3HG      ARG  20 -13.158  -4.869 -16.695
  188    HD2  ARG  20           2HD      ARG  20 -13.273  -2.501 -15.208
  189    HD3  ARG  20           3HD      ARG  20 -12.230  -2.145 -16.584
  190    HE   ARG  20           HE       ARG  20 -14.459  -3.471 -17.572
  191   HH11  ARG  20          1HH1      ARG  20 -13.733  -0.487 -15.932
  192   HH12  ARG  20          2HH1      ARG  20 -15.059   0.376 -16.638
  193   HH21  ARG  20          1HH2      ARG  20 -16.209  -2.346 -18.508
  194   HH22  ARG  20          2HH2      ARG  20 -16.467  -0.683 -18.102
  195    H    ARG  21           H        ARG  21 -11.264  -6.658 -17.048
  196    HA   ARG  21           HA       ARG  21 -13.477  -8.340 -17.267
  197    HB2  ARG  21           2HB      ARG  21 -11.235  -7.576 -18.903
  198    HB3  ARG  21           3HB      ARG  21 -11.533  -9.301 -19.068
  199    HG2  ARG  21           2HG      ARG  21 -13.625  -8.991 -19.980
  200    HG3  ARG  21           3HG      ARG  21 -13.810  -7.385 -19.271
  201    HD2  ARG  21           2HD      ARG  21 -12.320  -6.422 -20.840
  202    HD3  ARG  21           3HD      ARG  21 -11.770  -8.003 -21.392
  203    HE   ARG  21           HE       ARG  21 -14.115  -6.590 -22.250
  204   HH11  ARG  21          1HH1      ARG  21 -12.652  -9.728 -21.881
  205   HH12  ARG  21          2HH1      ARG  21 -13.616 -10.466 -23.117
  206   HH21  ARG  21          1HH2      ARG  21 -15.390  -7.551 -23.879
  207   HH22  ARG  21          2HH2      ARG  21 -15.172  -9.227 -24.254