*HEADER    ANTIMICROBIAL PROTEIN                   18-APR-16   2NCW              
*TITLE     NMR STRUCTURE OF WWWKYE21 STRUCTURE IN LPS MICELLES                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HEPARIN COFACTOR 2;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: GLYCOSAMINOGLYCAN-BINDING SITE RESIDUES 189-212;           
*COMPND   5 SYNONYM: HEPARIN COFACTOR II, HC-II, PROTEASE INHIBITOR LEUSERPIN-2, 
*COMPND   6 HLS2, SERPIN D1;                                                     
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MUTATION: 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                                                     
*REVDAT   1   01-MAR-17 2NCW    0                                                


# Torsion angle constraints 
# generated from HA secondary chemical shifts   
   
   2 TRP  PHI  -120   -30
   2 TRP  PSI  -120   120
   3 TRP  PHI  -120   -30
   3 TRP  PSI  -120   120
   4 LYS  PHI  -120   -30
   4 LYS  PSI  -120   120
   5 TYR  PHI  -120   -30
   5 TYR  PSI  -120   120
   6 GLU  PHI  -120   -30
   6 GLU  PSI  -120   120
   7 ILE  PHI  -120   -30
   7 ILE  PSI  -120   120
   8 THR  PHI  -120   -30
   8 THR  PSI  -120   120
   9 THR  PHI  -120   -30
   9 THR  PSI  -120   120
   10 ILE  PHI  -120   -30
   10 ILE  PSI  -120   120
   11 HIS  PHI  -120   -30
   11 HIS  PSI  -120   120
   12 ASN  PHI  -120   -30
   12 ASN  PSI  -120   120
  13 LEU  PHI  -120   -30
  13 LEU  PSI  -120   120
  14 PHE  PHI  -120   -30
  14 PHE  PSI  -120   120
  15 ARG  PHI  -120   -30
  15 ARG  PSI  -120   120
  16 LYS  PHI  -120   -30
  16 LYS  PSI  -120   120
  17 LEU  PHI  -120   -30
  17 LEU  PSI  -120   120
  18 THR  PHI  -120   -30
  18 THR  PSI  -120   120
  19 HIS  PHI  -120   -30
  19 HIS  PSI  -120   120
  20 ARG  PHI  -120   -30
  20 ARG  PSI  -120   120
  21 LEU  PHI  -120   -30
  21 LEU  PSI  -120   120
  22 PHE  PHI  -120   -30
  22 PHE  PSI  -120   120
  23 ARG  PHI  -120   -30
  23 ARG  PSI  -120   120
TRP
TRP
TRP
LYS
TYR
GLU
ILE
THR
THR
ILE
HIS
ASN
LEU
PHE
ARG
LYS
LEU
THR
HIS
ARG
LEU
PHE
ARG
ARG
1 TRP QB 1 TRP H  3.5 2.0
1 TRP QB 1 TRP HD1 3.8 2.0
1 TRP HA 2 TRP H  3.5 2.0
1 TRP QB 2 TRP H  3.8 2.0
2 TRP QB 2 TRP HD1 3.8 2.0
2 TRP QB 2 TRP H  3.5 2.0
2 TRP HA 3 TRP H  3.5 2.0
2 TRP QB 3 TRP H  3.8 2.0
3 TRP QB 3 TRP H  3.5 2.0
3 TRP QB 3 TRP HD1 4.0 2.0
3 TRP HA 4 LYS H  3.5 2.0
3 TRP QB 4 LYS H  3.8 2.0
4 LYS HA 5 TYR H  3.3 2.0
4 LYS QB 5 TYR H  4.0 2.0
5 TYR QB 5 TYR H  3.5 2.0
5 TYR HA 5 TYR QD 4.0 2.0
5 TYR QB 5 TYR QD 4.0 2.0
5 TYR HA 5 TYR QE 4.5 2.0
5 TYR QB 5 TYR QE 4.5 2.0
5 TYR HA 6 GLU H  3.5 2.0
5 TYR QB    6 GLU H  3.8 2.0
6 GLU HB2 6 GLU H  3.8 2.0
6 GLU HB3 6 GLU H  3.8 2.0
6 GLU QG 6 GLU H  3.8 2.0
6 GLU HA 7 ILE H  3.5 2.0
6 GLU HB2 7 ILE H  3.8 2.0
6 GLU QG 7 ILE H  4.0 2.0
7 ILE HB 7 ILE H  3.5 2.0
7 ILE HG12 7 ILE H  4.5 2.0
7 ILE HG21 7 ILE H  4.0 2.0
7 ILE HA 8 THR H  3.5 2.0
7 ILE HB 8 THR H  3.8 2.0
7 ILE HG12 8 THR H  4.5 2.0
7 ILE HG21  8 THR H  4.5 2.0
8 THR HB 8 THR H  3.5 2.0
8 THR HG21 8 THR H  3.8 2.0
8 THR HA 9 THR H  3.5 2.0
8 THR HB 9 THR H  3.8 2.0
8 THR HG21 9 THR H  4.0 2.0
9 THR HB 9 THR H  3.5 2.0
9 THR HG21 9 THR H  3.8 2.0
9 THR HA 10 ILE H 3.5 2.0
9 THR HB 10 ILE H 4.2 2.0
9 THR HG21 10 ILE H 4.2 2.0
10 ILE HB 10 ILE H 3.5 2.0
10 ILE HG12  10 ILE H 4.6 2.0
10 ILE HG21 10 ILE H 4.0 2.0
10 ILE HA  11 HIS H 3.5 2.0
10 ILE HB 11 HIS H 4.0 2.0
10 ILE HG12 11 HIS H 5.0 2.0
10 ILE HG21 11 HIS H 4.8 2.0
11 HIS HB2 11 HIS H 3.5 2.0
11 HIS HB3 11 HIS H 3.5 2.0
11 HIS HA 12 ASN H 3.5 2.0
11 HIS HB2 12 ASN H 4.0 2.0
11 HIS HB3 12 ASN H 3.8 2.0
12 ASN QB 12 ASN H 3.5 2.0
12 ASN HA 13 LEU H 3.5 2.0
12 ASN QB 13 LEU H 3.8 2.0
13 LEU QB 13 LEU H 3.5 2.0
13 LEU HG  13 LEU H 4.3 2.0
13 LEU QQD 13 LEU H 3.8 2.0
13 LEU HA 14 PHE H 3.5 2.0
13 LEU QB 14 PHE H 3.8 2.0
13 LEU HG 14 PHE H 4.5 2.0
13 LEU QQD  14 PHE H 4.5 2.0
13 LEU QQD 14 PHE QD 4.5 2.0
13 LEU QQD 14 PHE QE 4.8 2.0
13 LEU HG 14 PHE QD 4.8 2.0
14 PHE QB 14 PHE H 3.5 2.0
14 PHE HA 14 PHE QD 4.0 2.0
14 PHE QB 14 PHE QD 3.9 2.0
14 PHE QB 14 PHE QE 4.2 2.0
14 PHE HA 15 ARG H 3.5 2.0
14 PHE QB 15 ARG H 3.8 2.0
15 ARG QB 15 ARG H 3.5 2.0
15 ARG QG 15 ARG H 3.8 2.0
15 ARG QD 15 ARG H 4.1 2.0
15 ARG HA 16 LYS H 3.5 2.0
15 ARG QB 16 LYS H 3.8 2.0
15 ARG QG 16 LYS H 4.0 2.0
15 ARG QD 16 LYS H 4.2 2.0
16 LYS QB 16 LYS H 3.5 2.0
16 LYS QG 16 LYS H 4.2 2.0
16 LYS QD 16 LYS H 4.5 2.0
16 LYS HA 17 LEU H 3.5 2.0
16 LYS QB 17 LEU H 3.9 2.0
16 LYS QG 17 LEU H 4.2 2.0
16 LYS QD 17 LEU H 4.5 2.0
17 LEU QB 17 LEU H 3.5 2.0
17 LEU HG  17 LEU H 4.5 2.0
17 LEU QQD 17 LEU H 3.8 2.0
17 LEU HA 18 THR H 3.5 2.0
17 LEU QB 18 THR H 3.8 2.0
17 LEU HG 18 THR H 4.5 2.0
17 LEU QQD  18 THR H 4.5 2.0
18 THR HB 18 THR H 3.5 2.0
18 THR HG21 18 THR H 3.8 2.0
18 THR HA 19 HIS H 3.5 2.0
18 THR HB 19 HIS H 3.8 2.0
18 THR HG21 19 HIS H 4.2 2.0
19 HIS HB2 19 HIS H 3.8 2.0
19 HIS HB3 19 HIS H 3.5 2.0
19 HIS HA 20 ARG H 3.5 2.0
19 HIS HB2 20 ARG H 4.2 2.0
19 HIS HB3 20 ARG H 4.5 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 LEU H 3.5 2.0
20 ARG QB 21 LEU H 4.5 2.0
20 ARG QG 21 LEU H 4.5 2.0
20 ARG QD 21 LEU H 4.8 2.0  
21 LEU QB 21 LEU H 3.5 2.0
21 LEU HG  21 LEU H 4.0 2.0
21 LEU QQD 21 LEU H 3.8 2.0
21 LEU HA 22 PHE H 3.5 2.0
21 LEU QB 22 PHE H 3.8 2.0
21 LEU HG 22 PHE H 4.5 2.0
21 LEU QQD  22 PHE H 4.5 2.0
22 PHE QB 22 PHE H 3.5 2.0
22 PHE HA 22 PHE QD 4.0 2.0
22 PHE QB 22 PHE QD 3.9 2.0
22 PHE QB 22 PHE QE 4.2 2.0
22 PHE HA 23 ARG H 3.5 2.0
22 PHE QB 23 ARG H 3.8 2.0
23 ARG QB 23 ARG H 3.5 2.0
23 ARG QG 23 ARG H 4.0 2.0
23 ARG QD 23 ARG H 4.0 2.0
23 ARG HA 24 ARG H 3.5 2.0
23 ARG QB 24 ARG H 4.5 2.0
23 ARG QG 24 ARG H 4.5 2.0
23 ARG QD 24 ARG H 4.8 2.0 
24 ARG QB 24 ARG H 3.5 2.0
24 ARG QG 24 ARG H 4.0 2.0
24 ARG QD 24 ARG H 4.0 2.0
1 TRP H  2 TRP H  3.8 2.0
2 TRP H  3 TRP H  3.8 2.0
3 TRP H  4 LYS H  3.8 2.0
4 LYS H  5 TYR H  3.0 2.0
5 TYR H  6 GLU H  2.8 2.0
6 GLU H  7 ILE H  4.0 2.0
7 ILE H  8 THR H  4.0 2.0
8 THR H  9 THR H  4.0 2.0
9 THR H  10 ILE H 4.0 2.0
10 ILE H 11 HIS H 2.8 2.0
11 HIS H 12 ASN H 2.8 2.0
12 ASN H 13 LEU H 3.0 2.0
13 LEU H 14 PHE H 3.8 2.0
14 PHE H 15 ARG H 3.0 2.0
15 ARG H 16 LYS H 3.2 2.0
16 LYS H 17 LEU H 3.8 2.0
17 LEU H 18 THR H 3.2 2.0
18 THR H 19 HIS H 3.2 2.0
19 HIS H 20 ARG H 3.8 2.0
20 ARG H 21 LEU H 3.8 2.0
21 LEU H 22 PHE H 3.8 2.0
22 PHE H 23 ARG H 3.8 2.0
23 ARG H 24 ARG H 3.2 2.0
5 TYR H  7 ILE H  4.2 2.0
10 ILE H 12 ASN H 4.2 2.0
11 HIS H 13 LEU H 4.2 2.0
12 ASN H 14 PHE H 4.2 2.0
13 LEU H 15 ARG H 4.2 2.0
17 LEU H 15 ARG H 4.2 2.0
17 LEU H 19 HIS H 4.2 2.0
22 PHE H 24 ARG H 4.2 2.0
1 TRP HA 4 LYS H  4.8 2.0
2 TRP HA 4 LYS H  4.5 2.0
4 LYS HA 6 GLU H  4.8 2.0
4 LYS HA 7 ILE H  3.8 2.0
9 THR HA 11 HIS H 4.4 2.0
7 ILE HA 11 HIS H 4.2 2.0
10 ILE HA 13 LEU H 3.4 2.0
11 HIS HA 14 PHE H 3.4 2.0
11 HIS HA 15 ARG H 4.2 2.0
7 ILE HA 10 ILE H 3.4 2.0
18 THR HA 22 PHE H 4.2 2.0
19 HIS HA 23 ARG H 4.4 2.0
18 THR HB 21 LEU H 4.8 2.0
17 LEU HA 21 LEU H 4.5 2.0
17 LEU HA 20 ARG H 4.5 2.0
8 THR HA 12 ASN H 4.5 2.0
10 ILE HA 14 PHE H 4.2 2.0
11 HIS HB2 14 PHE H 5.2 2.0
3 TRP HB3 6 GLU H  4.2 2.0
7 ILE HG22 10 ILE H 4.2 2.0
10 ILE HG12 13 LEU H 4.4 2.0  
10 ILE HB 12 ASN H 4.9 2.0
10 ILE HD1 12 ASN H 4.5 2.0
15 ARG QB 18 THR H 4.8 2.0
18 THR HG21 22 PHE QD 4.7 2.0
18 THR HG21 22 PHE QE 4.7 2.0
10 ILE HG12 14 PHE QE 3.8 2.0
10 ILE HG12 14 PHE QD 4.0 2.0
10 ILE HD1 14 PHE QD 4.0 2.0
10 ILE HD1 14 PHE QE 4.0 2.0
10 ILE HG21 14 PHE QD 3.8 2.0
10 ILE HG21 14 PHE QE 3.8 2.0
18 THR HB 22 PHE QD 4.7 2.0
8 THR HB 11 HIS HD2 4.3 2.0
8 THR HA 11 HIS QB 4.4 2.0
9 THR HA 12 ASN QB 4.4 2.0
10 ILE HA 13 LEU QB 4.4 2.0
12 ASN HA 15 ARG QB 4.4 2.0
14 PHE HA 17 LEU QB 4.4 2.0
8 THR HB 12 ASN HD22 5.0 2.0
3 TRP HB3 1 TRP HZ2 4.9 2.0
3 TRP HB3 1 TRP HD1 4.4 2.0
3 TRP HA 2 TRP HZ2 4.7 2.0
2 TRP HA 4 LYS H  5.2 2.0
3 TRP HD1 5 TYR QE 4.6 2.0
3 TRP HA 2 TRP HD1 5.0 2.0
2 TRP HD1 3 TRP HD1 5.0 2.0
4 LYS HB3 5 TYR HD2 4.5 2.0
4 LYS HB3 5 TYR HE2 4.9 2.0
2 TRP HD1 3 TRP HD1 5.0 2.0
4 LYS QB 1 TRP HD1 4.5 2.0
7 ILE HD1 1 TRP HD1 4.5 2.0
7 ILE HD1 1 TRP HZ2 4.8 2.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   TRP   1           H        TRP   1   1.807   0.000   0.856
    2    HA   TRP   1           HA       TRP   1   3.138   0.085  -0.987
    3    HB2  TRP   1           2HB      TRP   1   1.464  -2.046  -1.325
    4    HB3  TRP   1           3HB      TRP   1   1.168  -1.136  -2.804
    5    HD1  TRP   1           HD1      TRP   1   2.578  -2.151  -4.673
    6    HE1  TRP   1           HE1      TRP   1   4.987  -3.025  -4.909
    7    HE3  TRP   1           HE3      TRP   1   4.121  -1.590   0.168
    8    HZ2  TRP   1           HZ2      TRP   1   7.243  -3.425  -3.260
    9    HZ3  TRP   1           HZ3      TRP   1   6.420  -2.242   0.756
   10    HH2  TRP   1           HH2      TRP   1   7.947  -3.141  -0.923
   11    H    TRP   2           H        TRP   2   3.462   2.065  -1.767
   12    HA   TRP   2           HA       TRP   2   1.288   3.502  -3.072
   13    HB2  TRP   2           2HB      TRP   2   2.282   5.281  -2.155
   14    HB3  TRP   2           3HB      TRP   2   3.571   4.250  -1.542
   15    HD1  TRP   2           HD1      TRP   2   2.857   6.892  -4.121
   16    HE1  TRP   2           HE1      TRP   2   5.008   7.418  -5.434
   17    HE3  TRP   2           HE3      TRP   2   5.787   3.048  -2.455
   18    HZ2  TRP   2           HZ2      TRP   2   7.602   6.346  -5.726
   19    HZ3  TRP   2           HZ3      TRP   2   8.091   2.870  -3.300
   20    HH2  TRP   2           HH2      TRP   2   8.978   4.485  -4.902
   21    H    TRP   3           H        TRP   3   4.165   1.759  -3.858
   22    HA   TRP   3           HA       TRP   3   4.340   2.862  -6.537
   23    HB2  TRP   3           2HB      TRP   3   6.201   1.771  -4.841
   24    HB3  TRP   3           3HB      TRP   3   5.897   0.440  -5.954
   25    HD1  TRP   3           HD1      TRP   3   6.003   4.182  -6.916
   26    HE1  TRP   3           HE1      TRP   3   7.876   4.508  -8.651
   27    HE3  TRP   3           HE3      TRP   3   7.944  -0.548  -6.913
   28    HZ2  TRP   3           HZ2      TRP   3   9.907   2.964  -9.859
   29    HZ3  TRP   3           HZ3      TRP   3   9.851  -1.041  -8.388
   30    HH2  TRP   3           HH2      TRP   3  10.810   0.680  -9.830
   31    H    LYS   4           H        LYS   4   1.989   1.250  -5.508
   32    HA   LYS   4           HA       LYS   4   1.895  -1.272  -6.688
   33    HB2  LYS   4           2HB      LYS   4   0.207  -0.081  -5.115
   34    HB3  LYS   4           3HB      LYS   4  -0.506   0.531  -6.602
   35    HG2  LYS   4           2HG      LYS   4  -1.126  -1.603  -7.322
   36    HG3  LYS   4           3HG      LYS   4  -0.038  -2.399  -6.183
   37    HD2  LYS   4           2HD      LYS   4  -1.767  -2.601  -4.795
   38    HD3  LYS   4           3HD      LYS   4  -1.745  -0.846  -4.608
   39    HE2  LYS   4           2HE      LYS   4  -3.527  -0.543  -5.979
   40    HE3  LYS   4           3HE      LYS   4  -3.101  -1.907  -7.012
   41    HZ1  LYS   4           3HZ      LYS   4  -3.937  -3.413  -5.337
   42    HZ2  LYS   4           1HZ      LYS   4  -5.141  -2.302  -5.759
   43    HZ3  LYS   4           2HZ      LYS   4  -4.299  -2.124  -4.303
   44    H    TYR   5           H        TYR   5   1.896   1.832  -8.133
   45    HA   TYR   5           HA       TYR   5   0.465   1.388 -10.485
   46    HB2  TYR   5           2HB      TYR   5   2.970   3.062 -10.277
   47    HB3  TYR   5           3HB      TYR   5   1.628   3.274 -11.396
   48    HD1  TYR   5           HD2      TYR   5  -0.720   3.150  -9.717
   49    HD2  TYR   5           HD1      TYR   5   3.061   4.924  -8.908
   50    HE1  TYR   5           HE2      TYR   5  -1.793   4.703  -8.140
   51    HE2  TYR   5           HE1      TYR   5   1.999   6.482  -7.328
   52    HH   TYR   5           HH       TYR   5  -1.189   7.107  -7.225
   53    H    GLU   6           H        GLU   6   3.604   0.287  -9.501
   54    HA   GLU   6           HA       GLU   6   4.283  -0.584 -12.203
   55    HB2  GLU   6           2HB      GLU   6   5.945  -1.129  -9.764
   56    HB3  GLU   6           3HB      GLU   6   6.463  -0.950 -11.434
   57    HG2  GLU   6           2HG      GLU   6   5.422   1.269  -9.687
   58    HG3  GLU   6           3HG      GLU   6   7.120   0.951 -10.040
   59    H    ILE   7           H        ILE   7   2.536  -1.741  -9.645
   60    HA   ILE   7           HA       ILE   7   3.266  -4.543 -10.126
   61    HB   ILE   7           HB       ILE   7   1.798  -3.174  -7.895
   62   HG12  ILE   7          2HG1      ILE   7   4.266  -3.432  -7.799
   63   HG13  ILE   7          3HG1      ILE   7   3.442  -4.300  -6.508
   64   HG21  ILE   7          1HG2      ILE   7   0.332  -4.944  -8.217
   65   HG22  ILE   7          2HG2      ILE   7   1.612  -6.042  -8.729
   66   HG23  ILE   7          3HG2      ILE   7   1.468  -5.587  -7.032
   67   HD11  ILE   7          3HD1      ILE   7   5.204  -5.666  -7.359
   68   HD12  ILE   7          1HD1      ILE   7   3.664  -6.376  -7.844
   69   HD13  ILE   7          2HD1      ILE   7   4.624  -5.468  -9.013
   70    H    THR   8           H        THR   8   0.561  -2.290 -10.244
   71    HA   THR   8           HA       THR   8  -1.560  -3.966 -10.727
   72    HB   THR   8           HB       THR   8  -1.705  -1.481 -10.532
   73    HG1  THR   8           HG1      THR   8  -3.460  -2.767 -11.367
   74   HG21  THR   8          3HG2      THR   8  -1.243  -0.049 -12.339
   75   HG22  THR   8          1HG2      THR   8  -1.103  -1.389 -13.477
   76   HG23  THR   8          2HG2      THR   8   0.150  -1.128 -12.263
   77    H    THR   9           H        THR   9   1.123  -3.251 -12.799
   78    HA   THR   9           HA       THR   9   0.074  -3.883 -15.302
   79    HB   THR   9           HB       THR   9   2.231  -2.954 -15.314
   80    HG1  THR   9           HG1      THR   9   2.766  -5.704 -15.798
   81   HG21  THR   9          3HG2      THR   9   3.846  -4.990 -14.092
   82   HG22  THR   9          1HG2      THR   9   2.605  -4.452 -12.961
   83   HG23  THR   9          2HG2      THR   9   3.711  -3.281 -13.680
   84    H    ILE  10           H        ILE  10   1.688  -6.022 -12.955
   85    HA   ILE  10           HA       ILE  10   0.826  -8.348 -14.506
   86    HB   ILE  10           HB       ILE  10   2.372  -9.644 -13.301
   87   HG12  ILE  10          2HG1      ILE  10   1.634  -8.529 -11.073
   88   HG13  ILE  10          3HG1      ILE  10   3.271  -9.162 -11.202
   89   HG21  ILE  10          1HG2      ILE  10   4.486  -8.187 -13.318
   90   HG22  ILE  10          2HG2      ILE  10   3.601  -8.384 -14.830
   91   HG23  ILE  10          3HG2      ILE  10   3.425  -6.901 -13.892
   92   HD11  ILE  10          3HD1      ILE  10   4.184  -7.151 -10.925
   93   HD12  ILE  10          1HD1      ILE  10   3.035  -6.374 -12.015
   94   HD13  ILE  10          2HD1      ILE  10   2.594  -6.669 -10.333
   95    H    HIS  11           H        HIS  11   0.068  -6.595 -11.643
   96    HA   HIS  11           HA       HIS  11  -1.083  -8.541 -10.030
   97    HB2  HIS  11           2HB      HIS  11  -0.724  -6.184  -9.354
   98    HB3  HIS  11           3HB      HIS  11  -2.046  -5.697 -10.411
   99    HD1  HIS  11           HD1      HIS  11  -2.464  -8.808  -8.420
  100    HD2  HIS  11           HD2      HIS  11  -3.486  -4.789  -8.155
  101    HE1  HIS  11           HE1      HIS  11  -4.172  -8.668  -6.579
  102    H    ASN  12           H        ASN  12  -2.121  -7.333 -13.062
  103    HA   ASN  12           HA       ASN  12  -4.903  -7.959 -12.760
  104    HB2  ASN  12           2HB      ASN  12  -3.133  -7.077 -14.994
  105    HB3  ASN  12           3HB      ASN  12  -4.667  -7.837 -15.408
  106   HD21  ASN  12          1HD2      ASN  12  -3.517  -5.491 -13.000
  107   HD22  ASN  12          2HD2      ASN  12  -4.768  -4.333 -13.285
  108    H    LEU  13           H        LEU  13  -2.084  -9.763 -13.390
  109    HA   LEU  13           HA       LEU  13  -3.715 -12.044 -14.296
  110    HB2  LEU  13           2HB      LEU  13  -1.995 -12.804 -15.658
  111    HB3  LEU  13           3HB      LEU  13  -1.992 -11.060 -15.911
  112    HG   LEU  13           HG       LEU  13  -0.166 -11.478 -13.849
  113   HD11  LEU  13          1HD1      LEU  13  -0.195 -13.876 -14.351
  114   HD12  LEU  13          2HD1      LEU  13   1.366 -13.147 -14.725
  115   HD13  LEU  13          3HD1      LEU  13   0.237 -13.527 -16.025
  116   HD21  LEU  13          3HD2      LEU  13   0.369 -11.154 -16.800
  117   HD22  LEU  13          1HD2      LEU  13   1.459 -10.737 -15.478
  118   HD23  LEU  13          2HD2      LEU  13  -0.047  -9.844 -15.693
  119    H    PHE  14           H        PHE  14  -1.557 -10.802 -11.956
  120    HA   PHE  14           HA       PHE  14  -0.613 -13.322 -10.964
  121    HB2  PHE  14           2HB      PHE  14  -0.177 -10.510 -10.392
  122    HB3  PHE  14           3HB      PHE  14  -0.351 -11.445  -8.911
  123    HD1  PHE  14           HD2      PHE  14   1.201 -13.299  -8.430
  124    HD2  PHE  14           HD1      PHE  14   1.739 -10.725 -11.776
  125    HE1  PHE  14           HE2      PHE  14   3.532 -14.059  -8.635
  126    HE2  PHE  14           HE1      PHE  14   4.071 -11.481 -11.988
  127    HZ   PHE  14           HZ       PHE  14   4.971 -13.150 -10.415
  128    H    ARG  15           H        ARG  15  -3.418 -11.373 -10.498
  129    HA   ARG  15           HA       ARG  15  -4.224 -12.101  -7.941
  130    HB2  ARG  15           2HB      ARG  15  -6.510 -11.597  -8.689
  131    HB3  ARG  15           3HB      ARG  15  -5.366 -10.380  -9.239
  132    HG2  ARG  15           2HG      ARG  15  -6.569 -10.681 -11.145
  133    HG3  ARG  15           3HG      ARG  15  -5.309 -11.891 -11.393
  134    HD2  ARG  15           2HD      ARG  15  -6.775 -13.572 -11.316
  135    HD3  ARG  15           3HD      ARG  15  -7.552 -12.928  -9.871
  136    HE   ARG  15           HE       ARG  15  -8.443 -11.320 -11.879
  137   HH11  ARG  15          1HH1      ARG  15  -8.433 -14.756 -11.320
  138   HH12  ARG  15          2HH1      ARG  15  -9.891 -15.037 -12.212
  139   HH21  ARG  15          1HH2      ARG  15 -10.364 -11.678 -13.056
  140   HH22  ARG  15          2HH2      ARG  15 -10.988 -13.286 -13.200
  141    H    LYS  16           H        LYS  16  -4.175 -13.943 -10.872
  142    HA   LYS  16           HA       LYS  16  -6.041 -15.945 -10.066
  143    HB2  LYS  16           2HB      LYS  16  -5.390 -17.126 -12.017
  144    HB3  LYS  16           3HB      LYS  16  -5.336 -15.420 -12.442
  145    HG2  LYS  16           2HG      LYS  16  -3.353 -16.028 -13.327
  146    HG3  LYS  16           3HG      LYS  16  -2.799 -15.739 -11.676
  147    HD2  LYS  16           2HD      LYS  16  -1.932 -17.817 -11.925
  148    HD3  LYS  16           3HD      LYS  16  -3.561 -18.302 -11.447
  149    HE2  LYS  16           2HE      LYS  16  -4.144 -18.928 -13.577
  150    HE3  LYS  16           3HE      LYS  16  -2.999 -17.820 -14.332
  151    HZ1  LYS  16           3HZ      LYS  16  -2.041 -20.130 -12.768
  152    HZ2  LYS  16           1HZ      LYS  16  -1.246 -19.266 -13.987
  153    HZ3  LYS  16           2HZ      LYS  16  -2.507 -20.322 -14.383
  154    H    LEU  17           H        LEU  17  -2.661 -15.389  -9.524
  155    HA   LEU  17           HA       LEU  17  -2.153 -18.096  -8.625
  156    HB2  LEU  17           2HB      LEU  17  -0.502 -16.509  -9.801
  157    HB3  LEU  17           3HB      LEU  17  -0.329 -15.751  -8.220
  158    HG   LEU  17           HG       LEU  17   0.119 -18.361  -7.605
  159   HD11  LEU  17          1HD1      LEU  17   1.893 -18.918  -9.451
  160   HD12  LEU  17          2HD1      LEU  17   0.837 -17.934 -10.464
  161   HD13  LEU  17          3HD1      LEU  17   0.201 -19.369  -9.662
  162   HD21  LEU  17          3HD2      LEU  17   2.070 -16.236  -8.475
  163   HD22  LEU  17          1HD2      LEU  17   2.531 -17.728  -7.655
  164   HD23  LEU  17          2HD2      LEU  17   1.492 -16.559  -6.840
  165    H    THR  18           H        THR  18  -2.777 -14.934  -7.245
  166    HA   THR  18           HA       THR  18  -2.018 -15.339  -4.613
  167    HB   THR  18           HB       THR  18  -3.620 -13.620  -3.986
  168    HG1  THR  18           HG1      THR  18  -5.162 -12.898  -5.497
  169   HG21  THR  18          3HG2      THR  18  -2.860 -11.841  -5.401
  170   HG22  THR  18          1HG2      THR  18  -2.515 -12.963  -6.716
  171   HG23  THR  18          2HG2      THR  18  -1.544 -13.004  -5.245
  172    H    HIS  19           H        HIS  19  -4.947 -16.361  -6.280
  173    HA   HIS  19           HA       HIS  19  -6.463 -17.154  -4.073
  174    HB2  HIS  19           2HB      HIS  19  -7.172 -17.003  -6.528
  175    HB3  HIS  19           3HB      HIS  19  -6.469 -18.607  -6.715
  176    HD1  HIS  19           HD1      HIS  19  -7.653 -20.567  -5.423
  177    HD2  HIS  19           HD2      HIS  19  -9.653 -16.927  -5.313
  178    HE1  HIS  19           HE1      HIS  19  -9.979 -21.102  -4.631
  179    H    ARG  20           H        ARG  20  -3.644 -18.543  -5.458
  180    HA   ARG  20           HA       ARG  20  -4.069 -21.059  -4.002
  181    HB2  ARG  20           2HB      ARG  20  -1.864 -20.478  -5.975
  182    HB3  ARG  20           3HB      ARG  20  -2.411 -22.046  -5.396
  183    HG2  ARG  20           2HG      ARG  20  -4.063 -20.181  -7.085
  184    HG3  ARG  20           3HG      ARG  20  -3.121 -21.537  -7.707
  185    HD2  ARG  20           2HD      ARG  20  -4.508 -22.833  -5.839
  186    HD3  ARG  20           3HD      ARG  20  -5.646 -21.522  -6.151
  187    HE   ARG  20           HE       ARG  20  -6.182 -22.554  -8.106
  188   HH11  ARG  20          1HH1      ARG  20  -3.006 -23.607  -7.146
  189   HH12  ARG  20          2HH1      ARG  20  -2.844 -24.737  -8.449
  190   HH21  ARG  20          1HH2      ARG  20  -5.981 -24.038  -9.827
  191   HH22  ARG  20          2HH2      ARG  20  -4.536 -24.981  -9.974
  192    H    LEU  21           H        LEU  21  -2.123 -18.192  -4.122
  193    HA   LEU  21           HA       LEU  21  -0.008 -19.173  -2.463
  194    HB2  LEU  21           2HB      LEU  21  -0.797 -16.580  -3.644
  195    HB3  LEU  21           3HB      LEU  21   0.192 -16.511  -2.187
  196    HG   LEU  21           HG       LEU  21   1.449 -16.373  -4.353
  197   HD11  LEU  21          1HD1      LEU  21   3.061 -18.297  -3.616
  198   HD12  LEU  21          2HD1      LEU  21   1.984 -18.386  -2.223
  199   HD13  LEU  21          3HD1      LEU  21   2.827 -16.881  -2.591
  200   HD21  LEU  21          3HD2      LEU  21   1.834 -18.478  -5.561
  201   HD22  LEU  21          1HD2      LEU  21   0.150 -17.962  -5.646
  202   HD23  LEU  21          2HD2      LEU  21   0.618 -19.266  -4.555
  203    H    PHE  22           H        PHE  22  -2.250 -16.491  -1.782
  204    HA   PHE  22           HA       PHE  22  -1.925 -16.434   0.952
  205    HB2  PHE  22           2HB      PHE  22  -4.340 -15.756  -0.727
  206    HB3  PHE  22           3HB      PHE  22  -4.251 -15.425   0.999
  207    HD1  PHE  22           HD1      PHE  22  -2.905 -14.560  -2.301
  208    HD2  PHE  22           HD2      PHE  22  -2.908 -13.641   1.855
  209    HE1  PHE  22           HE1      PHE  22  -1.772 -12.427  -2.775
  210    HE2  PHE  22           HE2      PHE  22  -1.776 -11.507   1.387
  211    HZ   PHE  22           HZ       PHE  22  -1.207 -10.897  -0.930
  212    H    ARG  23           H        ARG  23  -3.926 -18.561  -0.976
  213    HA   ARG  23           HA       ARG  23  -5.301 -19.669   1.306
  214    HB2  ARG  23           2HB      ARG  23  -5.209 -20.491  -1.600
  215    HB3  ARG  23           3HB      ARG  23  -6.189 -21.298  -0.384
  216    HG2  ARG  23           2HG      ARG  23  -6.432 -18.423  -1.244
  217    HG3  ARG  23           3HG      ARG  23  -7.527 -19.742  -1.665
  218    HD2  ARG  23           2HD      ARG  23  -7.883 -20.045   0.829
  219    HD3  ARG  23           3HD      ARG  23  -7.054 -18.503   1.034
  220    HE   ARG  23           HE       ARG  23  -8.922 -17.424   0.247
  221   HH11  ARG  23          1HH1      ARG  23  -9.192 -20.836  -0.387
  222   HH12  ARG  23          2HH1      ARG  23 -10.850 -20.746  -0.882
  223   HH21  ARG  23          1HH2      ARG  23 -11.105 -17.292  -0.401
  224   HH22  ARG  23          2HH2      ARG  23 -11.937 -18.729  -0.890
  225    H    ARG  24           H        ARG  24  -2.527 -20.457  -0.674
  226    HA   ARG  24           HA       ARG  24  -1.824 -22.568   1.223
  227    HB2  ARG  24           2HB      ARG  24  -2.474 -22.950  -1.622
  228    HB3  ARG  24           3HB      ARG  24  -0.959 -23.684  -1.115
  229    HG2  ARG  24           2HG      ARG  24  -2.055 -25.381  -0.219
  230    HG3  ARG  24           3HG      ARG  24  -2.952 -24.279   0.828
  231    HD2  ARG  24           2HD      ARG  24  -4.722 -25.119  -0.300
  232    HD3  ARG  24           3HD      ARG  24  -4.270 -23.880  -1.471
  233    HE   ARG  24           HE       ARG  24  -2.826 -26.012  -2.270
  234   HH11  ARG  24          1HH1      ARG  24  -6.198 -25.579  -1.520
  235   HH12  ARG  24          2HH1      ARG  24  -6.735 -26.793  -2.632
  236   HH21  ARG  24          1HH2      ARG  24  -3.521 -27.613  -3.738
  237   HH22  ARG  24          2HH2      ARG  24  -5.212 -27.950  -3.893
  Start of MODEL    2
    1    H1   TRP   1           H        TRP   1   1.487  -0.027   1.023
    2    HA   TRP   1           HA       TRP   1   3.709  -0.453  -0.501
    3    HB2  TRP   1           2HB      TRP   1   2.179  -2.659  -0.891
    4    HB3  TRP   1           3HB      TRP   1   1.597  -1.633  -2.199
    5    HD1  TRP   1           HD1      TRP   1   2.790  -2.324  -4.348
    6    HE1  TRP   1           HE1      TRP   1   5.201  -2.931  -5.013
    7    HE3  TRP   1           HE3      TRP   1   4.986  -2.090   0.263
    8    HZ2  TRP   1           HZ2      TRP   1   7.703  -3.267  -3.750
    9    HZ3  TRP   1           HZ3      TRP   1   7.393  -2.568   0.448
   10    HH2  TRP   1           HH2      TRP   1   8.721  -3.145  -1.518
   11    H    TRP   2           H        TRP   2   3.842   1.605  -1.112
   12    HA   TRP   2           HA       TRP   2   1.487   3.085  -1.917
   13    HB2  TRP   2           2HB      TRP   2   2.669   4.915  -1.352
   14    HB3  TRP   2           3HB      TRP   2   3.838   3.789  -0.668
   15    HD1  TRP   2           HD1      TRP   2   6.187   3.656  -1.795
   16    HE1  TRP   2           HE1      TRP   2   7.310   4.910  -3.742
   17    HE3  TRP   2           HE3      TRP   2   2.079   6.016  -3.717
   18    HZ2  TRP   2           HZ2      TRP   2   6.554   6.668  -5.818
   19    HZ3  TRP   2           HZ3      TRP   2   2.365   7.466  -5.684
   20    HH2  TRP   2           HH2      TRP   2   4.557   7.785  -6.711
   21    H    TRP   3           H        TRP   3   4.275   1.595  -3.401
   22    HA   TRP   3           HA       TRP   3   3.707   2.790  -5.989
   23    HB2  TRP   3           2HB      TRP   3   6.028   1.893  -4.788
   24    HB3  TRP   3           3HB      TRP   3   5.662   0.615  -5.944
   25    HD1  TRP   3           HD1      TRP   3   4.978   4.349  -6.604
   26    HE1  TRP   3           HE1      TRP   3   6.408   5.088  -8.613
   27    HE3  TRP   3           HE3      TRP   3   7.693   0.071  -7.286
   28    HZ2  TRP   3           HZ2      TRP   3   8.419   4.000 -10.268
   29    HZ3  TRP   3           HZ3      TRP   3   9.349   0.002  -9.104
   30    HH2  TRP   3           HH2      TRP   3   9.703   1.927 -10.564
   31    H    LYS   4           H        LYS   4   1.778   0.971  -4.678
   32    HA   LYS   4           HA       LYS   4   1.785  -1.567  -5.879
   33    HB2  LYS   4           2HB      LYS   4   0.302  -0.540  -3.965
   34    HB3  LYS   4           3HB      LYS   4  -0.782  -0.145  -5.293
   35    HG2  LYS   4           2HG      LYS   4  -1.010  -2.449  -5.883
   36    HG3  LYS   4           3HG      LYS   4   0.244  -2.918  -4.733
   37    HD2  LYS   4           2HD      LYS   4  -1.133  -2.330  -2.877
   38    HD3  LYS   4           3HD      LYS   4  -2.326  -1.566  -3.929
   39    HE2  LYS   4           2HE      LYS   4  -3.269  -3.638  -3.395
   40    HE3  LYS   4           3HE      LYS   4  -2.584  -3.874  -5.002
   41    HZ1  LYS   4           3HZ      LYS   4  -2.141  -5.673  -3.313
   42    HZ2  LYS   4           1HZ      LYS   4  -1.107  -4.582  -2.537
   43    HZ3  LYS   4           2HZ      LYS   4  -0.784  -5.069  -4.124
   44    H    TYR   5           H        TYR   5   1.218   1.515  -7.202
   45    HA   TYR   5           HA       TYR   5  -0.631   0.939  -9.229
   46    HB2  TYR   5           2HB      TYR   5   1.645   2.914  -9.429
   47    HB3  TYR   5           3HB      TYR   5   0.107   2.966 -10.283
   48    HD1  TYR   5           HD2      TYR   5  -1.844   2.484  -8.180
   49    HD2  TYR   5           HD1      TYR   5   1.729   4.792  -8.073
   50    HE1  TYR   5           HE2      TYR   5  -2.797   3.868  -6.384
   51    HE2  TYR   5           HE1      TYR   5   0.786   6.181  -6.276
   52    HH   TYR   5           HH       TYR   5  -1.766   5.334  -4.446
   53    H    GLU   6           H        GLU   6   2.884   0.623  -9.116
   54    HA   GLU   6           HA       GLU   6   3.192  -0.096 -11.850
   55    HB2  GLU   6           2HB      GLU   6   4.984   0.781 -10.254
   56    HB3  GLU   6           3HB      GLU   6   5.070  -0.856  -9.619
   57    HG2  GLU   6           2HG      GLU   6   5.537  -1.621 -11.972
   58    HG3  GLU   6           3HG      GLU   6   5.718   0.080 -12.398
   59    H    ILE   7           H        ILE   7   2.582  -1.887  -8.902
   60    HA   ILE   7           HA       ILE   7   3.148  -4.469  -9.896
   61    HB   ILE   7           HB       ILE   7   1.547  -3.436  -7.589
   62   HG12  ILE   7          2HG1      ILE   7   4.029  -3.636  -7.483
   63   HG13  ILE   7          3HG1      ILE   7   3.202  -4.627  -6.286
   64   HG21  ILE   7          1HG2      ILE   7   0.139  -5.192  -8.006
   65   HG22  ILE   7          2HG2      ILE   7   1.391  -6.152  -8.794
   66   HG23  ILE   7          3HG2      ILE   7   1.369  -6.003  -7.037
   67   HD11  ILE   7          3HD1      ILE   7   3.499  -6.581  -7.765
   68   HD12  ILE   7          1HD1      ILE   7   4.428  -5.565  -8.867
   69   HD13  ILE   7          2HD1      ILE   7   5.021  -5.866  -7.233
   70    H    THR   8           H        THR   8   0.283  -2.444  -9.993
   71    HA   THR   8           HA       THR   8  -1.725  -4.170 -10.618
   72    HB   THR   8           HB       THR   8  -2.838  -2.418 -11.782
   73    HG1  THR   8           HG1      THR   8  -0.215  -1.512 -12.311
   74   HG21  THR   8          3HG2      THR   8  -2.670  -0.600 -10.264
   75   HG22  THR   8          1HG2      THR   8  -0.991  -0.981  -9.883
   76   HG23  THR   8          2HG2      THR   8  -2.283  -2.051  -9.340
   77    H    THR   9           H        THR   9   0.966  -3.242 -12.650
   78    HA   THR   9           HA       THR   9   0.058  -4.054 -15.144
   79    HB   THR   9           HB       THR   9   2.435  -4.437 -15.731
   80    HG1  THR   9           HG1      THR   9   3.989  -4.395 -14.175
   81   HG21  THR   9          3HG2      THR   9   3.180  -2.173 -15.396
   82   HG22  THR   9          1HG2      THR   9   2.071  -1.961 -14.042
   83   HG23  THR   9          2HG2      THR   9   1.440  -2.152 -15.678
   84    H    ILE  10           H        ILE  10   2.157  -5.993 -13.003
   85    HA   ILE  10           HA       ILE  10   1.508  -8.408 -14.425
   86    HB   ILE  10           HB       ILE  10   3.067  -9.511 -13.056
   87   HG12  ILE  10          2HG1      ILE  10   1.998  -8.456 -10.930
   88   HG13  ILE  10          3HG1      ILE  10   3.695  -8.921 -10.891
   89   HG21  ILE  10          1HG2      ILE  10   5.009  -7.869 -12.933
   90   HG22  ILE  10          2HG2      ILE  10   4.252  -8.099 -14.508
   91   HG23  ILE  10          3HG2      ILE  10   3.880  -6.664 -13.553
   92   HD11  ILE  10          3HD1      ILE  10   2.734  -6.526 -10.094
   93   HD12  ILE  10          1HD1      ILE  10   4.390  -6.811 -10.630
   94   HD13  ILE  10          2HD1      ILE  10   3.196  -6.168 -11.758
   95    H    HIS  11           H        HIS  11   0.326  -6.747 -11.640
   96    HA   HIS  11           HA       HIS  11  -0.759  -8.794 -10.122
   97    HB2  HIS  11           2HB      HIS  11  -0.733  -6.420  -9.438
   98    HB3  HIS  11           3HB      HIS  11  -1.974  -6.071 -10.637
   99    HD1  HIS  11           HD1      HIS  11  -1.982  -9.030  -8.282
  100    HD2  HIS  11           HD2      HIS  11  -4.047  -5.486  -8.946
  101    HE1  HIS  11           HE1      HIS  11  -3.964  -9.107  -6.736
  102    H    ASN  12           H        ASN  12  -1.658  -7.703 -13.248
  103    HA   ASN  12           HA       ASN  12  -4.365  -8.622 -13.200
  104    HB2  ASN  12           2HB      ASN  12  -2.504  -7.505 -15.206
  105    HB3  ASN  12           3HB      ASN  12  -3.747  -8.577 -15.844
  106   HD21  ASN  12          1HD2      ASN  12  -3.733  -6.199 -13.214
  107   HD22  ASN  12          2HD2      ASN  12  -5.061  -5.272 -13.816
  108    H    LEU  13           H        LEU  13  -1.321 -10.137 -13.554
  109    HA   LEU  13           HA       LEU  13  -2.630 -12.594 -14.522
  110    HB2  LEU  13           2HB      LEU  13  -1.109 -12.037 -16.190
  111    HB3  LEU  13           3HB      LEU  13   0.091 -11.460 -15.035
  112    HG   LEU  13           HG       LEU  13   0.479 -13.822 -14.351
  113   HD11  LEU  13          1HD1      LEU  13  -0.786 -14.833 -16.811
  114   HD12  LEU  13          2HD1      LEU  13  -1.884 -14.377 -15.510
  115   HD13  LEU  13          3HD1      LEU  13  -0.627 -15.580 -15.222
  116   HD21  LEU  13          3HD2      LEU  13   2.087 -14.043 -15.914
  117   HD22  LEU  13          1HD2      LEU  13   1.547 -12.438 -16.405
  118   HD23  LEU  13          2HD2      LEU  13   0.957 -13.865 -17.257
  119    H    PHE  14           H        PHE  14  -0.787 -11.101 -12.042
  120    HA   PHE  14           HA       PHE  14   0.247 -13.506 -10.877
  121    HB2  PHE  14           2HB      PHE  14   0.364 -10.642 -10.334
  122    HB3  PHE  14           3HB      PHE  14   0.211 -11.598  -8.864
  123    HD1  PHE  14           HD1      PHE  14   1.920 -13.290  -8.307
  124    HD2  PHE  14           HD2      PHE  14   2.367 -10.634 -11.602
  125    HE1  PHE  14           HE1      PHE  14   4.326 -13.797  -8.384
  126    HE2  PHE  14           HE2      PHE  14   4.774 -11.137 -11.686
  127    HZ   PHE  14           HZ       PHE  14   5.757 -12.721 -10.076
  128    H    ARG  15           H        ARG  15  -2.675 -11.632 -10.579
  129    HA   ARG  15           HA       ARG  15  -3.597 -12.593  -8.111
  130    HB2  ARG  15           2HB      ARG  15  -5.802 -11.862  -8.834
  131    HB3  ARG  15           3HB      ARG  15  -4.591 -10.670  -9.285
  132    HG2  ARG  15           2HG      ARG  15  -5.739 -10.738 -11.231
  133    HG3  ARG  15           3HG      ARG  15  -4.624 -12.070 -11.545
  134    HD2  ARG  15           2HD      ARG  15  -6.484 -13.244 -11.985
  135    HD3  ARG  15           3HD      ARG  15  -6.635 -13.345 -10.231
  136    HE   ARG  15           HE       ARG  15  -7.856 -10.980 -11.161
  137   HH11  ARG  15          1HH1      ARG  15  -8.304 -14.432 -11.124
  138   HH12  ARG  15          2HH1      ARG  15 -10.032 -14.339 -11.204
  139   HH21  ARG  15          1HH2      ARG  15 -10.130 -10.845 -11.266
  140   HH22  ARG  15          2HH2      ARG  15 -11.070 -12.298 -11.285
  141    H    LYS  16           H        LYS  16  -3.519 -14.033 -11.267
  142    HA   LYS  16           HA       LYS  16  -5.499 -16.012 -10.885
  143    HB2  LYS  16           2HB      LYS  16  -4.521 -15.343 -13.089
  144    HB3  LYS  16           3HB      LYS  16  -3.044 -16.185 -12.640
  145    HG2  LYS  16           2HG      LYS  16  -4.828 -18.153 -12.245
  146    HG3  LYS  16           3HG      LYS  16  -5.643 -17.252 -13.525
  147    HD2  LYS  16           2HD      LYS  16  -2.871 -17.485 -14.171
  148    HD3  LYS  16           3HD      LYS  16  -3.501 -19.083 -13.762
  149    HE2  LYS  16           2HE      LYS  16  -5.141 -17.369 -15.545
  150    HE3  LYS  16           3HE      LYS  16  -3.667 -18.066 -16.215
  151    HZ1  LYS  16           3HZ      LYS  16  -4.815 -19.918 -16.535
  152    HZ2  LYS  16           1HZ      LYS  16  -6.156 -19.318 -15.696
  153    HZ3  LYS  16           2HZ      LYS  16  -4.921 -20.112 -14.858
  154    H    LEU  17           H        LEU  17  -2.208 -15.736  -9.838
  155    HA   LEU  17           HA       LEU  17  -1.967 -18.548  -9.182
  156    HB2  LEU  17           2HB      LEU  17  -0.137 -16.258  -8.484
  157    HB3  LEU  17           3HB      LEU  17   0.235 -17.977  -8.359
  158    HG   LEU  17           HG       LEU  17  -0.440 -16.764 -11.013
  159   HD11  LEU  17          1HD1      LEU  17   2.354 -16.886  -9.914
  160   HD12  LEU  17          2HD1      LEU  17   1.368 -15.426  -9.853
  161   HD13  LEU  17          3HD1      LEU  17   1.795 -16.136 -11.409
  162   HD21  LEU  17          3HD2      LEU  17   1.597 -18.674 -11.169
  163   HD22  LEU  17          1HD2      LEU  17  -0.095 -18.870 -11.627
  164   HD23  LEU  17          2HD2      LEU  17   0.436 -19.312 -10.004
  165    H    THR  18           H        THR  18  -2.639 -15.513  -7.571
  166    HA   THR  18           HA       THR  18  -2.319 -16.382  -4.910
  167    HB   THR  18           HB       THR  18  -3.651 -14.447  -4.265
  168    HG1  THR  18           HG1      THR  18  -5.273 -14.127  -5.623
  169   HG21  THR  18          3HG2      THR  18  -2.375 -12.679  -5.457
  170   HG22  THR  18          1HG2      THR  18  -1.792 -13.905  -6.582
  171   HG23  THR  18          2HG2      THR  18  -1.359 -13.998  -4.875
  172    H    HIS  19           H        HIS  19  -4.990 -16.611  -7.172
  173    HA   HIS  19           HA       HIS  19  -7.075 -17.226  -5.447
  174    HB2  HIS  19           2HB      HIS  19  -6.934 -16.962  -8.089
  175    HB3  HIS  19           3HB      HIS  19  -6.880 -18.721  -8.019
  176    HD1  HIS  19           HD1      HIS  19  -9.027 -16.106  -6.257
  177    HD2  HIS  19           HD2      HIS  19  -9.376 -19.662  -8.376
  178    HE1  HIS  19           HE1      HIS  19 -11.488 -16.620  -6.306
  179    H    ARG  20           H        ARG  20  -4.519 -19.285  -6.722
  180    HA   ARG  20           HA       ARG  20  -5.587 -21.546  -5.180
  181    HB2  ARG  20           2HB      ARG  20  -4.091 -22.950  -6.530
  182    HB3  ARG  20           3HB      ARG  20  -5.182 -22.011  -7.541
  183    HG2  ARG  20           2HG      ARG  20  -3.286 -21.622  -8.693
  184    HG3  ARG  20           3HG      ARG  20  -3.098 -20.339  -7.496
  185    HD2  ARG  20           2HD      ARG  20  -1.036 -21.358  -7.400
  186    HD3  ARG  20           3HD      ARG  20  -1.899 -22.197  -6.112
  187    HE   ARG  20           HE       ARG  20  -2.156 -23.553  -8.600
  188   HH11  ARG  20          1HH1      ARG  20   0.024 -22.997  -5.944
  189   HH12  ARG  20          2HH1      ARG  20   0.872 -24.493  -6.156
  190   HH21  ARG  20          1HH2      ARG  20  -1.048 -25.526  -8.889
  191   HH22  ARG  20          2HH2      ARG  20   0.262 -25.931  -7.832
  192    H    LEU  21           H        LEU  21  -3.375 -19.091  -4.925
  193    HA   LEU  21           HA       LEU  21  -1.535 -20.676  -3.267
  194    HB2  LEU  21           2HB      LEU  21  -1.250 -18.016  -4.634
  195    HB3  LEU  21           3HB      LEU  21  -0.124 -18.560  -3.391
  196    HG   LEU  21           HG       LEU  21  -0.641 -19.993  -5.996
  197   HD11  LEU  21          1HD1      LEU  21   0.493 -17.703  -6.095
  198   HD12  LEU  21          2HD1      LEU  21   1.326 -19.064  -6.846
  199   HD13  LEU  21          3HD1      LEU  21   1.842 -18.478  -5.265
  200   HD21  LEU  21          3HD2      LEU  21   1.169 -20.490  -3.661
  201   HD22  LEU  21          1HD2      LEU  21   1.590 -21.063  -5.275
  202   HD23  LEU  21          2HD2      LEU  21   0.102 -21.614  -4.504
  203    H    PHE  22           H        PHE  22  -2.449 -17.244  -3.177
  204    HA   PHE  22           HA       PHE  22  -2.244 -16.916  -0.445
  205    HB2  PHE  22           2HB      PHE  22  -3.804 -15.490  -2.567
  206    HB3  PHE  22           3HB      PHE  22  -4.043 -15.052  -0.879
  207    HD1  PHE  22           HD2      PHE  22  -1.061 -15.892  -2.964
  208    HD2  PHE  22           HD1      PHE  22  -2.944 -13.120  -0.340
  209    HE1  PHE  22           HE2      PHE  22   0.931 -14.452  -3.062
  210    HE2  PHE  22           HE1      PHE  22  -0.955 -11.675  -0.434
  211    HZ   PHE  22           HZ       PHE  22   0.986 -12.340  -1.795
  212    H    ARG  23           H        ARG  23  -4.893 -18.218  -2.319
  213    HA   ARG  23           HA       ARG  23  -6.429 -18.599   0.166
  214    HB2  ARG  23           2HB      ARG  23  -7.551 -18.731  -2.629
  215    HB3  ARG  23           3HB      ARG  23  -8.433 -18.598  -1.114
  216    HG2  ARG  23           2HG      ARG  23  -6.625 -16.467  -2.232
  217    HG3  ARG  23           3HG      ARG  23  -8.380 -16.501  -2.415
  218    HD2  ARG  23           2HD      ARG  23  -8.363 -16.694   0.186
  219    HD3  ARG  23           3HD      ARG  23  -6.733 -16.038   0.035
  220    HE   ARG  23           HE       ARG  23  -8.509 -14.451  -1.456
  221   HH11  ARG  23          1HH1      ARG  23  -7.722 -15.229   1.845
  222   HH12  ARG  23          2HH1      ARG  23  -8.242 -13.697   2.467
  223   HH21  ARG  23          1HH2      ARG  23  -9.197 -12.431  -0.650
  224   HH22  ARG  23          2HH2      ARG  23  -9.082 -12.107   1.047
  225    H    ARG  24           H        ARG  24  -4.239 -20.275  -0.906
  226    HA   ARG  24           HA       ARG  24  -5.083 -22.584  -2.166
  227    HB2  ARG  24           2HB      ARG  24  -3.179 -23.704  -1.030
  228    HB3  ARG  24           3HB      ARG  24  -2.741 -22.167  -1.764
  229    HG2  ARG  24           2HG      ARG  24  -1.688 -21.976   0.247
  230    HG3  ARG  24           3HG      ARG  24  -3.244 -21.243   0.641
  231    HD2  ARG  24           2HD      ARG  24  -3.638 -23.948   1.090
  232    HD3  ARG  24           3HD      ARG  24  -2.004 -23.651   1.682
  233    HE   ARG  24           HE       ARG  24  -3.467 -21.627   2.756
  234   HH11  ARG  24          1HH1      ARG  24  -3.749 -25.097   2.752
  235   HH12  ARG  24          2HH1      ARG  24  -4.517 -25.167   4.304
  236   HH21  ARG  24          1HH2      ARG  24  -4.478 -21.705   4.799
  237   HH22  ARG  24          2HH2      ARG  24  -4.932 -23.237   5.467
  Start of MODEL    3
    1    H1   TRP   1           H        TRP   1   0.476   0.689  -0.038
    2    HA   TRP   1           HA       TRP   1   2.921  -0.029  -1.120
    3    HB2  TRP   1           2HB      TRP   1   1.232  -2.147  -1.464
    4    HB3  TRP   1           3HB      TRP   1   0.991  -1.266  -2.970
    5    HD1  TRP   1           HD1      TRP   1   2.458  -2.296  -4.784
    6    HE1  TRP   1           HE1      TRP   1   4.857  -3.218  -4.925
    7    HE3  TRP   1           HE3      TRP   1   3.829  -1.746   0.110
    8    HZ2  TRP   1           HZ2      TRP   1   7.041  -3.656  -3.191
    9    HZ3  TRP   1           HZ3      TRP   1   6.090  -2.442   0.787
   10    HH2  TRP   1           HH2      TRP   1   7.661  -3.377  -0.831
   11    H    TRP   2           H        TRP   2   3.296   1.928  -1.936
   12    HA   TRP   2           HA       TRP   2   1.183   3.356  -3.348
   13    HB2  TRP   2           2HB      TRP   2   2.152   5.148  -2.430
   14    HB3  TRP   2           3HB      TRP   2   3.408   4.121  -1.743
   15    HD1  TRP   2           HD1      TRP   2   2.821   6.713  -4.403
   16    HE1  TRP   2           HE1      TRP   2   5.027   7.196  -5.638
   17    HE3  TRP   2           HE3      TRP   2   5.649   2.884  -2.540
   18    HZ2  TRP   2           HZ2      TRP   2   7.622   6.099  -5.801
   19    HZ3  TRP   2           HZ3      TRP   2   7.984   2.670  -3.286
   20    HH2  TRP   2           HH2      TRP   2   8.948   4.245  -4.883
   21    H    TRP   3           H        TRP   3   4.075   1.578  -3.982
   22    HA   TRP   3           HA       TRP   3   4.367   2.624  -6.674
   23    HB2  TRP   3           2HB      TRP   3   6.150   1.555  -4.883
   24    HB3  TRP   3           3HB      TRP   3   5.879   0.203  -5.979
   25    HD1  TRP   3           HD1      TRP   3   6.059   3.924  -7.009
   26    HE1  TRP   3           HE1      TRP   3   8.001   4.198  -8.676
   27    HE3  TRP   3           HE3      TRP   3   7.948  -0.823  -6.841
   28    HZ2  TRP   3           HZ2      TRP   3  10.060   2.612  -9.775
   29    HZ3  TRP   3           HZ3      TRP   3   9.905  -1.363  -8.232
   30    HH2  TRP   3           HH2      TRP   3  10.938   0.320  -9.668
   31    H    LYS   4           H        LYS   4   1.964   1.050  -5.707
   32    HA   LYS   4           HA       LYS   4   1.895  -1.495  -6.838
   33    HB2  LYS   4           2HB      LYS   4   0.145  -0.124  -5.396
   34    HB3  LYS   4           3HB      LYS   4  -0.536   0.232  -6.979
   35    HG2  LYS   4           2HG      LYS   4  -0.946  -2.054  -7.420
   36    HG3  LYS   4           3HG      LYS   4   0.025  -2.566  -6.038
   37    HD2  LYS   4           2HD      LYS   4  -2.262  -0.765  -5.485
   38    HD3  LYS   4           3HD      LYS   4  -2.642  -2.422  -5.960
   39    HE2  LYS   4           2HE      LYS   4  -0.798  -2.992  -4.163
   40    HE3  LYS   4           3HE      LYS   4  -1.242  -1.406  -3.535
   41    HZ1  LYS   4           3HZ      LYS   4  -3.490  -3.096  -4.172
   42    HZ2  LYS   4           1HZ      LYS   4  -3.191  -2.165  -2.791
   43    HZ3  LYS   4           2HZ      LYS   4  -2.506  -3.704  -2.938
   44    H    TYR   5           H        TYR   5   1.979   1.579  -8.345
   45    HA   TYR   5           HA       TYR   5   0.643   1.096 -10.745
   46    HB2  TYR   5           2HB      TYR   5   3.150   2.756 -10.468
   47    HB3  TYR   5           3HB      TYR   5   1.857   2.954 -11.646
   48    HD1  TYR   5           HD2      TYR   5  -0.562   2.892 -10.077
   49    HD2  TYR   5           HD1      TYR   5   3.200   4.636  -9.123
   50    HE1  TYR   5           HE2      TYR   5  -1.687   4.486  -8.579
   51    HE2  TYR   5           HE1      TYR   5   2.086   6.233  -7.621
   52    HH   TYR   5           HH       TYR   5  -0.608   5.947  -6.305
   53    H    GLU   6           H        GLU   6   3.726  -0.013  -9.609
   54    HA   GLU   6           HA       GLU   6   4.501  -0.950 -12.264
   55    HB2  GLU   6           2HB      GLU   6   6.078  -1.434  -9.757
   56    HB3  GLU   6           3HB      GLU   6   6.652  -1.296 -11.413
   57    HG2  GLU   6           2HG      GLU   6   5.558   0.966  -9.756
   58    HG3  GLU   6           3HG      GLU   6   7.265   0.638 -10.044
   59    H    ILE   7           H        ILE   7   2.657  -2.031  -9.744
   60    HA   ILE   7           HA       ILE   7   3.399  -4.847 -10.114
   61    HB   ILE   7           HB       ILE   7   1.849  -3.411  -7.984
   62   HG12  ILE   7          2HG1      ILE   7   4.312  -3.674  -7.784
   63   HG13  ILE   7          3HG1      ILE   7   3.433  -4.499  -6.501
   64   HG21  ILE   7          1HG2      ILE   7   0.389  -5.184  -8.312
   65   HG22  ILE   7          2HG2      ILE   7   1.685  -6.301  -8.740
   66   HG23  ILE   7          3HG2      ILE   7   1.475  -5.796  -7.064
   67   HD11  ILE   7          3HD1      ILE   7   5.351  -5.552  -8.284
   68   HD12  ILE   7          1HD1      ILE   7   4.466  -6.383  -7.005
   69   HD13  ILE   7          2HD1      ILE   7   3.807  -6.325  -8.640
   70    H    THR   8           H        THR   8   0.707  -2.595 -10.405
   71    HA   THR   8           HA       THR   8  -1.398  -4.280 -10.922
   72    HB   THR   8           HB       THR   8  -1.544  -1.790 -10.806
   73    HG1  THR   8           HG1      THR   8  -3.131  -1.711 -12.619
   74   HG21  THR   8          3HG2      THR   8  -0.824  -1.789 -13.726
   75   HG22  THR   8          1HG2      THR   8   0.378  -1.491 -12.471
   76   HG23  THR   8          2HG2      THR   8  -1.009  -0.414 -12.637
   77    H    THR   9           H        THR   9   1.366  -3.632 -12.906
   78    HA   THR   9           HA       THR   9   0.415  -4.336 -15.428
   79    HB   THR   9           HB       THR   9   2.572  -3.411 -15.383
   80    HG1  THR   9           HG1      THR   9   3.089  -4.777 -16.907
   81   HG21  THR   9          3HG2      THR   9   4.133  -5.412 -14.039
   82   HG22  THR   9          1HG2      THR   9   2.850  -4.839 -12.975
   83   HG23  THR   9          2HG2      THR   9   3.986  -3.691 -13.683
   84    H    ILE  10           H        ILE  10   1.930  -6.407 -12.958
   85    HA   ILE  10           HA       ILE  10   1.124  -8.777 -14.472
   86    HB   ILE  10           HB       ILE  10   2.618 -10.038 -13.169
   87   HG12  ILE  10          2HG1      ILE  10   1.794  -8.857 -11.006
   88   HG13  ILE  10          3HG1      ILE  10   3.434  -9.496 -11.051
   89   HG21  ILE  10          1HG2      ILE  10   4.734  -8.586 -13.146
   90   HG22  ILE  10          2HG2      ILE  10   3.909  -8.825 -14.685
   91   HG23  ILE  10          3HG2      ILE  10   3.700  -7.315 -13.798
   92   HD11  ILE  10          3HD1      ILE  10   4.340  -7.479 -10.798
   93   HD12  ILE  10          1HD1      ILE  10   3.237  -6.733 -11.955
   94   HD13  ILE  10          2HD1      ILE  10   2.730  -6.978 -10.283
   95    H    HIS  11           H        HIS  11   0.258  -6.939 -11.694
   96    HA   HIS  11           HA       HIS  11  -0.961  -8.834 -10.072
   97    HB2  HIS  11           2HB      HIS  11  -0.622  -6.460  -9.450
   98    HB3  HIS  11           3HB      HIS  11  -1.899  -6.001 -10.574
   99    HD1  HIS  11           HD1      HIS  11  -2.405  -9.050  -8.508
  100    HD2  HIS  11           HD2      HIS  11  -3.429  -5.025  -8.408
  101    HE1  HIS  11           HE1      HIS  11  -4.187  -8.853  -6.744
  102    H    ASN  12           H        ASN  12  -1.875  -7.715 -13.176
  103    HA   ASN  12           HA       ASN  12  -4.668  -8.326 -12.967
  104    HB2  ASN  12           2HB      ASN  12  -2.809  -7.516 -15.154
  105    HB3  ASN  12           3HB      ASN  12  -4.328  -8.284 -15.605
  106   HD21  ASN  12          1HD2      ASN  12  -3.271  -5.874 -13.219
  107   HD22  ASN  12          2HD2      ASN  12  -4.503  -4.720 -13.591
  108    H    LEU  13           H        LEU  13  -1.833 -10.154 -13.431
  109    HA   LEU  13           HA       LEU  13  -3.434 -12.458 -14.331
  110    HB2  LEU  13           2HB      LEU  13  -1.649 -13.272 -15.585
  111    HB3  LEU  13           3HB      LEU  13  -1.662 -11.541 -15.917
  112    HG   LEU  13           HG       LEU  13   0.095 -11.817 -13.782
  113   HD11  LEU  13          1HD1      LEU  13   0.514 -14.038 -15.776
  114   HD12  LEU  13          2HD1      LEU  13   0.165 -14.217 -14.057
  115   HD13  LEU  13          3HD1      LEU  13   1.695 -13.511 -14.577
  116   HD21  LEU  13          3HD2      LEU  13   1.765 -11.146 -15.381
  117   HD22  LEU  13          1HD2      LEU  13   0.252 -10.316 -15.745
  118   HD23  LEU  13          2HD2      LEU  13   0.758 -11.694 -16.722
  119    H    PHE  14           H        PHE  14  -1.364 -11.150 -11.947
  120    HA   PHE  14           HA       PHE  14  -0.467 -13.640 -10.843
  121    HB2  PHE  14           2HB      PHE  14  -0.047 -10.814 -10.339
  122    HB3  PHE  14           3HB      PHE  14  -0.282 -11.704  -8.838
  123    HD1  PHE  14           HD2      PHE  14   1.245 -13.544  -8.240
  124    HD2  PHE  14           HD1      PHE  14   1.922 -11.073 -11.639
  125    HE1  PHE  14           HE2      PHE  14   3.580 -14.313  -8.330
  126    HE2  PHE  14           HE1      PHE  14   4.258 -11.839 -11.735
  127    HZ   PHE  14           HZ       PHE  14   5.090 -13.460 -10.078
  128    H    ARG  15           H        ARG  15  -3.250 -11.609 -10.480
  129    HA   ARG  15           HA       ARG  15  -4.150 -12.330  -7.952
  130    HB2  ARG  15           2HB      ARG  15  -6.356 -11.667  -8.694
  131    HB3  ARG  15           3HB      ARG  15  -5.162 -10.563  -9.362
  132    HG2  ARG  15           2HG      ARG  15  -6.220 -10.892 -11.295
  133    HG3  ARG  15           3HG      ARG  15  -5.361 -12.433 -11.336
  134    HD2  ARG  15           2HD      ARG  15  -7.380 -13.378 -11.469
  135    HD3  ARG  15           3HD      ARG  15  -7.540 -12.986  -9.757
  136    HE   ARG  15           HE       ARG  15  -8.329 -10.811 -11.417
  137   HH11  ARG  15          1HH1      ARG  15  -9.378 -13.876 -10.143
  138   HH12  ARG  15          2HH1      ARG  15 -11.063 -13.484 -10.232
  139   HH21  ARG  15          1HH2      ARG  15 -10.545 -10.283 -11.539
  140   HH22  ARG  15          2HH2      ARG  15 -11.726 -11.440 -11.027
  141    H    LYS  16           H        LYS  16  -4.136 -14.125 -10.925
  142    HA   LYS  16           HA       LYS  16  -6.087 -16.061 -10.231
  143    HB2  LYS  16           2HB      LYS  16  -3.745 -16.326 -12.126
  144    HB3  LYS  16           3HB      LYS  16  -5.153 -17.378 -12.072
  145    HG2  LYS  16           2HG      LYS  16  -6.458 -15.916 -13.183
  146    HG3  LYS  16           3HG      LYS  16  -5.708 -14.506 -12.430
  147    HD2  LYS  16           2HD      LYS  16  -4.737 -14.188 -14.425
  148    HD3  LYS  16           3HD      LYS  16  -3.665 -15.510 -13.954
  149    HE2  LYS  16           2HE      LYS  16  -4.979 -17.101 -15.137
  150    HE3  LYS  16           3HE      LYS  16  -6.276 -15.935 -15.393
  151    HZ1  LYS  16           3HZ      LYS  16  -5.272 -15.137 -17.195
  152    HZ2  LYS  16           1HZ      LYS  16  -4.262 -16.493 -17.136
  153    HZ3  LYS  16           2HZ      LYS  16  -3.765 -15.037 -16.434
  154    H    LEU  17           H        LEU  17  -2.749 -15.640  -9.413
  155    HA   LEU  17           HA       LEU  17  -2.473 -18.370  -8.442
  156    HB2  LEU  17           2HB      LEU  17  -0.593 -17.303  -9.587
  157    HB3  LEU  17           3HB      LEU  17  -0.559 -16.041  -8.357
  158    HG   LEU  17           HG       LEU  17  -0.273 -18.317  -6.860
  159   HD11  LEU  17          1HD1      LEU  17   1.405 -18.704  -9.329
  160   HD12  LEU  17          2HD1      LEU  17  -0.068 -19.611  -8.990
  161   HD13  LEU  17          3HD1      LEU  17   1.318 -19.745  -7.908
  162   HD21  LEU  17          3HD2      LEU  17   2.183 -17.065  -7.958
  163   HD22  LEU  17          1HD2      LEU  17   1.731 -17.405  -6.287
  164   HD23  LEU  17          2HD2      LEU  17   1.031 -16.020  -7.126
  165    H    THR  18           H        THR  18  -2.914 -15.117  -7.222
  166    HA   THR  18           HA       THR  18  -2.288 -15.481  -4.539
  167    HB   THR  18           HB       THR  18  -3.737 -13.592  -4.050
  168    HG1  THR  18           HG1      THR  18  -5.400 -13.106  -5.286
  169   HG21  THR  18          3HG2      THR  18  -2.929 -12.018  -5.911
  170   HG22  THR  18          1HG2      THR  18  -2.143 -13.441  -6.594
  171   HG23  THR  18          2HG2      THR  18  -1.704 -12.880  -4.980
  172    H    HIS  19           H        HIS  19  -5.231 -16.276  -6.303
  173    HA   HIS  19           HA       HIS  19  -6.858 -16.874  -4.085
  174    HB2  HIS  19           2HB      HIS  19  -7.517 -16.586  -6.562
  175    HB3  HIS  19           3HB      HIS  19  -7.080 -18.284  -6.736
  176    HD1  HIS  19           HD1      HIS  19  -8.934 -19.872  -6.356
  177    HD2  HIS  19           HD2      HIS  19  -9.582 -16.252  -4.423
  178    HE1  HIS  19           HE1      HIS  19 -11.222 -20.058  -5.328
  179    H    ARG  20           H        ARG  20  -4.215 -18.542  -5.481
  180    HA   ARG  20           HA       ARG  20  -4.943 -21.020  -4.072
  181    HB2  ARG  20           2HB      ARG  20  -2.974 -20.522  -6.309
  182    HB3  ARG  20           3HB      ARG  20  -3.140 -22.059  -5.473
  183    HG2  ARG  20           2HG      ARG  20  -4.892 -22.639  -6.706
  184    HG3  ARG  20           3HG      ARG  20  -5.689 -21.089  -6.430
  185    HD2  ARG  20           2HD      ARG  20  -4.945 -20.212  -8.372
  186    HD3  ARG  20           3HD      ARG  20  -3.384 -21.023  -8.259
  187    HE   ARG  20           HE       ARG  20  -4.230 -22.766  -9.491
  188   HH11  ARG  20          1HH1      ARG  20  -6.835 -20.712  -8.435
  189   HH12  ARG  20          2HH1      ARG  20  -8.025 -21.491  -9.425
  190   HH21  ARG  20          1HH2      ARG  20  -5.787 -23.801 -10.798
  191   HH22  ARG  20          2HH2      ARG  20  -7.428 -23.249 -10.768
  192    H    LEU  21           H        LEU  21  -2.891 -18.317  -3.965
  193    HA   LEU  21           HA       LEU  21  -0.834 -19.645  -2.390
  194    HB2  LEU  21           2HB      LEU  21   0.202 -18.102  -3.712
  195    HB3  LEU  21           3HB      LEU  21  -1.162 -16.987  -3.668
  196    HG   LEU  21           HG       LEU  21  -0.515 -16.311  -1.394
  197   HD11  LEU  21          1HD1      LEU  21   1.013 -18.671  -1.475
  198   HD12  LEU  21          2HD1      LEU  21   0.885 -17.503  -0.159
  199   HD13  LEU  21          3HD1      LEU  21   2.155 -17.331  -1.370
  200   HD21  LEU  21          3HD2      LEU  21   1.546 -15.109  -2.020
  201   HD22  LEU  21          1HD2      LEU  21   0.301 -15.017  -3.266
  202   HD23  LEU  21          2HD2      LEU  21   1.669 -16.113  -3.465
  203    H    PHE  22           H        PHE  22  -3.520 -17.424  -1.987
  204    HA   PHE  22           HA       PHE  22  -2.911 -16.874   0.776
  205    HB2  PHE  22           2HB      PHE  22  -5.076 -16.102  -1.132
  206    HB3  PHE  22           3HB      PHE  22  -5.388 -15.953   0.595
  207    HD1  PHE  22           HD2      PHE  22  -4.075 -14.403   1.964
  208    HD2  PHE  22           HD1      PHE  22  -3.568 -14.634  -2.255
  209    HE1  PHE  22           HE2      PHE  22  -2.900 -12.242   1.991
  210    HE2  PHE  22           HE1      PHE  22  -2.392 -12.473  -2.236
  211    HZ   PHE  22           HZ       PHE  22  -2.058 -11.273  -0.111
  212    H    ARG  23           H        ARG  23  -4.799 -19.170  -1.009
  213    HA   ARG  23           HA       ARG  23  -6.306 -20.029   1.316
  214    HB2  ARG  23           2HB      ARG  23  -6.340 -20.597  -1.587
  215    HB3  ARG  23           3HB      ARG  23  -6.815 -21.929  -0.541
  216    HG2  ARG  23           2HG      ARG  23  -8.743 -20.936   0.080
  217    HG3  ARG  23           3HG      ARG  23  -8.048 -19.315   0.042
  218    HD2  ARG  23           2HD      ARG  23  -8.591 -18.990  -2.127
  219    HD3  ARG  23           3HD      ARG  23  -8.283 -20.670  -2.564
  220    HE   ARG  23           HE       ARG  23 -10.795 -19.516  -1.901
  221   HH11  ARG  23          1HH1      ARG  23  -8.926 -22.442  -1.639
  222   HH12  ARG  23          2HH1      ARG  23 -10.314 -23.476  -1.562
  223   HH21  ARG  23          1HH2      ARG  23 -12.630 -20.867  -1.801
  224   HH22  ARG  23          2HH2      ARG  23 -12.420 -22.579  -1.655
  225    H    ARG  24           H        ARG  24  -3.527 -21.041  -0.558
  226    HA   ARG  24           HA       ARG  24  -3.298 -23.641   0.571
  227    HB2  ARG  24           2HB      ARG  24  -2.217 -23.240  -1.516
  228    HB3  ARG  24           3HB      ARG  24  -1.342 -21.857  -0.873
  229    HG2  ARG  24           2HG      ARG  24  -0.770 -24.263   0.623
  230    HG3  ARG  24           3HG      ARG  24  -0.416 -24.456  -1.095
  231    HD2  ARG  24           2HD      ARG  24   0.479 -21.895  -0.053
  232    HD3  ARG  24           3HD      ARG  24   1.209 -23.258   0.794
  233    HE   ARG  24           HE       ARG  24   1.294 -23.521  -2.061
  234   HH11  ARG  24          1HH1      ARG  24   2.877 -22.154   0.722
  235   HH12  ARG  24          2HH1      ARG  24   4.432 -22.079  -0.037
  236   HH21  ARG  24          1HH2      ARG  24   3.337 -23.427  -3.071
  237   HH22  ARG  24          2HH2      ARG  24   4.693 -22.803  -2.195
  Start of MODEL    4
    1    H1   TRP   1           H        TRP   1  -0.009  -1.180   0.561
    2    HA   TRP   1           HA       TRP   1   1.932  -1.437  -0.748
    3    HB2  TRP   1           2HB      TRP   1   0.481  -3.372  -1.926
    4    HB3  TRP   1           3HB      TRP   1   0.439  -2.164  -3.207
    5    HD1  TRP   1           HD1      TRP   1   2.200  -2.821  -4.938
    6    HE1  TRP   1           HE1      TRP   1   4.651  -3.603  -4.874
    7    HE3  TRP   1           HE3      TRP   1   2.811  -3.163   0.127
    8    HZ2  TRP   1           HZ2      TRP   1   6.587  -4.276  -2.934
    9    HZ3  TRP   1           HZ3      TRP   1   4.993  -3.884   1.005
   10    HH2  TRP   1           HH2      TRP   1   6.841  -4.429  -0.495
   11    H    TRP   2           H        TRP   2   2.508   0.620  -1.000
   12    HA   TRP   2           HA       TRP   2   0.808   2.580  -2.193
   13    HB2  TRP   2           2HB      TRP   2   2.196   4.037  -1.197
   14    HB3  TRP   2           3HB      TRP   2   3.004   2.635  -0.502
   15    HD1  TRP   2           HD1      TRP   2   5.448   2.160  -1.263
   16    HE1  TRP   2           HE1      TRP   2   7.087   3.326  -2.869
   17    HE3  TRP   2           HE3      TRP   2   2.208   5.417  -3.505
   18    HZ2  TRP   2           HZ2      TRP   2   7.016   5.358  -4.826
   19    HZ3  TRP   2           HZ3      TRP   2   3.074   6.939  -5.234
   20    HH2  TRP   2           HH2      TRP   2   5.428   6.909  -5.879
   21    H    TRP   3           H        TRP   3   3.533   0.658  -3.279
   22    HA   TRP   3           HA       TRP   3   3.645   2.069  -5.824
   23    HB2  TRP   3           2HB      TRP   3   5.562   0.800  -4.303
   24    HB3  TRP   3           3HB      TRP   3   5.245  -0.373  -5.578
   25    HD1  TRP   3           HD1      TRP   3   5.233   3.449  -6.095
   26    HE1  TRP   3           HE1      TRP   3   7.081   4.037  -7.787
   27    HE3  TRP   3           HE3      TRP   3   7.356  -1.172  -6.617
   28    HZ2  TRP   3           HZ2      TRP   3   9.163   2.717  -9.161
   29    HZ3  TRP   3           HZ3      TRP   3   9.271  -1.425  -8.140
   30    HH2  TRP   3           HH2      TRP   3  10.154   0.481  -9.386
   31    H    LYS   4           H        LYS   4   1.255   0.555  -5.082
   32    HA   LYS   4           HA       LYS   4   1.161  -1.914  -6.453
   33    HB2  LYS   4           2HB      LYS   4  -0.483  -1.189  -4.734
   34    HB3  LYS   4           3HB      LYS   4  -1.118  -0.013  -5.876
   35    HG2  LYS   4           2HG      LYS   4  -1.923  -1.715  -7.317
   36    HG3  LYS   4           3HG      LYS   4  -1.054  -2.967  -6.426
   37    HD2  LYS   4           2HD      LYS   4  -2.542  -1.922  -4.439
   38    HD3  LYS   4           3HD      LYS   4  -3.610  -1.623  -5.812
   39    HE2  LYS   4           2HE      LYS   4  -4.306  -3.722  -5.285
   40    HE3  LYS   4           3HE      LYS   4  -2.970  -4.145  -6.356
   41    HZ1  LYS   4           3HZ      LYS   4  -3.171  -4.387  -3.449
   42    HZ2  LYS   4           1HZ      LYS   4  -1.650  -4.036  -4.101
   43    HZ3  LYS   4           2HZ      LYS   4  -2.470  -5.437  -4.574
   44    H    TYR   5           H        TYR   5   1.363   1.251  -7.596
   45    HA   TYR   5           HA       TYR   5  -0.199   1.077  -9.947
   46    HB2  TYR   5           2HB      TYR   5   2.276   2.768  -9.582
   47    HB3  TYR   5           3HB      TYR   5   0.914   3.075 -10.653
   48    HD1  TYR   5           HD2      TYR   5  -1.397   2.682  -8.932
   49    HD2  TYR   5           HD1      TYR   5   2.344   4.508  -8.052
   50    HE1  TYR   5           HE2      TYR   5  -2.474   4.030  -7.180
   51    HE2  TYR   5           HE1      TYR   5   1.277   5.860  -6.296
   52    HH   TYR   5           HH       TYR   5  -0.752   5.718  -4.841
   53    H    GLU   6           H        GLU   6   3.060   0.089  -9.152
   54    HA   GLU   6           HA       GLU   6   3.720  -0.495 -11.917
   55    HB2  GLU   6           2HB      GLU   6   5.365   0.370 -10.161
   56    HB3  GLU   6           3HB      GLU   6   5.334  -1.255  -9.489
   57    HG2  GLU   6           2HG      GLU   6   6.363  -2.183 -11.353
   58    HG3  GLU   6           3HG      GLU   6   5.966  -0.804 -12.377
   59    H    ILE   7           H        ILE   7   2.748  -2.188  -9.010
   60    HA   ILE   7           HA       ILE   7   3.262  -4.809 -10.047
   61    HB   ILE   7           HB       ILE   7   1.828  -3.768  -7.629
   62   HG12  ILE   7          2HG1      ILE   7   4.307  -3.974  -7.652
   63   HG13  ILE   7          3HG1      ILE   7   3.545  -4.997  -6.438
   64   HG21  ILE   7          1HG2      ILE   7   0.390  -5.514  -8.018
   65   HG22  ILE   7          2HG2      ILE   7   1.611  -6.479  -8.846
   66   HG23  ILE   7          3HG2      ILE   7   1.650  -6.327  -7.090
   67   HD11  ILE   7          3HD1      ILE   7   4.650  -5.858  -9.099
   68   HD12  ILE   7          1HD1      ILE   7   5.304  -6.217  -7.501
   69   HD13  ILE   7          2HD1      ILE   7   3.759  -6.909  -7.998
   70    H    THR   8           H        THR   8   0.484  -2.663  -9.879
   71    HA   THR   8           HA       THR   8  -1.610  -4.330 -10.448
   72    HB   THR   8           HB       THR   8  -1.779  -1.859 -10.093
   73    HG1  THR   8           HG1      THR   8  -3.706  -2.006 -10.969
   74   HG21  THR   8          3HG2      THR   8  -1.518  -1.358 -12.993
   75   HG22  THR   8          1HG2      THR   8  -0.011  -1.604 -12.110
   76   HG23  THR   8          2HG2      THR   8  -1.120  -0.321 -11.623
   77    H    THR   9           H        THR   9   1.003  -3.409 -12.537
   78    HA   THR   9           HA       THR   9  -0.089  -3.912 -15.046
   79    HB   THR   9           HB       THR   9   2.218  -4.386 -15.799
   80    HG1  THR   9           HG1      THR   9   2.813  -4.231 -13.013
   81   HG21  THR   9          3HG2      THR   9   2.983  -2.216 -15.542
   82   HG22  THR   9          1HG2      THR   9   2.429  -2.107 -13.872
   83   HG23  THR   9          2HG2      THR   9   1.264  -2.032 -15.195
   84    H    ILE  10           H        ILE  10   1.862  -6.168 -13.081
   85    HA   ILE  10           HA       ILE  10   0.948  -8.400 -14.696
   86    HB   ILE  10           HB       ILE  10   2.559  -9.722 -13.620
   87   HG12  ILE  10          2HG1      ILE  10   1.805  -8.848 -11.301
   88   HG13  ILE  10          3HG1      ILE  10   3.475  -9.371 -11.496
   89   HG21  ILE  10          1HG2      ILE  10   4.617  -8.194 -13.530
   90   HG22  ILE  10          2HG2      ILE  10   3.722  -8.289 -15.046
   91   HG23  ILE  10          3HG2      ILE  10   3.506  -6.901 -13.980
   92   HD11  ILE  10          3HD1      ILE  10   3.122  -6.554 -12.082
   93   HD12  ILE  10          1HD1      ILE  10   2.625  -6.979 -10.444
   94   HD13  ILE  10          2HD1      ILE  10   4.257  -7.356 -10.996
   95    H    HIS  11           H        HIS  11   0.189  -6.895 -11.692
   96    HA   HIS  11           HA       HIS  11  -0.880  -8.990 -10.219
   97    HB2  HIS  11           2HB      HIS  11  -0.585  -6.696  -9.353
   98    HB3  HIS  11           3HB      HIS  11  -1.913  -6.150 -10.373
   99    HD1  HIS  11           HD1      HIS  11  -2.237  -9.409  -8.595
  100    HD2  HIS  11           HD2      HIS  11  -3.419  -5.457  -8.099
  101    HE1  HIS  11           HE1      HIS  11  -3.962  -9.448  -6.766
  102    H    ASN  12           H        ASN  12  -2.008  -7.581 -13.131
  103    HA   ASN  12           HA       ASN  12  -4.762  -8.321 -12.840
  104    HB2  ASN  12           2HB      ASN  12  -3.060  -7.258 -15.060
  105    HB3  ASN  12           3HB      ASN  12  -4.624  -7.967 -15.451
  106   HD21  ASN  12          1HD2      ASN  12  -3.635  -6.070 -12.640
  107   HD22  ASN  12          2HD2      ASN  12  -4.759  -4.782 -12.894
  108    H    LEU  13           H        LEU  13  -1.898  -9.976 -13.658
  109    HA   LEU  13           HA       LEU  13  -3.474 -12.235 -14.706
  110    HB2  LEU  13           2HB      LEU  13  -1.755 -12.833 -16.151
  111    HB3  LEU  13           3HB      LEU  13  -1.823 -11.076 -16.276
  112    HG   LEU  13           HG       LEU  13   0.063 -11.528 -14.298
  113   HD11  LEU  13          1HD1      LEU  13   0.117 -13.699 -16.343
  114   HD12  LEU  13          2HD1      LEU  13   0.455 -13.772 -14.614
  115   HD13  LEU  13          3HD1      LEU  13   1.634 -13.055 -15.712
  116   HD21  LEU  13          3HD2      LEU  13   1.626 -10.669 -15.917
  117   HD22  LEU  13          1HD2      LEU  13   0.081  -9.841 -16.110
  118   HD23  LEU  13          2HD2      LEU  13   0.550 -11.108 -17.244
  119    H    PHE  14           H        PHE  14  -1.323 -11.102 -12.310
  120    HA   PHE  14           HA       PHE  14  -0.263 -13.652 -11.536
  121    HB2  PHE  14           2HB      PHE  14   0.080 -10.883 -10.757
  122    HB3  PHE  14           3HB      PHE  14  -0.053 -11.925  -9.344
  123    HD1  PHE  14           HD1      PHE  14   1.567 -13.741  -8.988
  124    HD2  PHE  14           HD2      PHE  14   1.989 -10.950 -12.173
  125    HE1  PHE  14           HE1      PHE  14   3.921 -14.407  -9.255
  126    HE2  PHE  14           HE2      PHE  14   4.342 -11.612 -12.446
  127    HZ   PHE  14           HZ       PHE  14   5.311 -13.343 -10.987
  128    H    ARG  15           H        ARG  15  -3.273 -12.273 -11.246
  129    HA   ARG  15           HA       ARG  15  -4.075 -12.902  -8.644
  130    HB2  ARG  15           2HB      ARG  15  -6.336 -12.769  -9.456
  131    HB3  ARG  15           3HB      ARG  15  -5.380 -11.537 -10.269
  132    HG2  ARG  15           2HG      ARG  15  -5.128 -13.446 -12.082
  133    HG3  ARG  15           3HG      ARG  15  -6.643 -13.989 -11.356
  134    HD2  ARG  15           2HD      ARG  15  -6.702 -11.147 -11.783
  135    HD3  ARG  15           3HD      ARG  15  -6.282 -11.979 -13.280
  136    HE   ARG  15           HE       ARG  15  -8.407 -12.844 -13.365
  137   HH11  ARG  15          1HH1      ARG  15  -7.836 -11.463 -10.221
  138   HH12  ARG  15          2HH1      ARG  15  -9.489 -11.596  -9.719
  139   HH21  ARG  15          1HH2      ARG  15 -10.586 -13.025 -12.716
  140   HH22  ARG  15          2HH2      ARG  15 -11.052 -12.485 -11.138
  141    H    LYS  16           H        LYS  16  -3.488 -14.923 -11.386
  142    HA   LYS  16           HA       LYS  16  -4.967 -17.182 -10.368
  143    HB2  LYS  16           2HB      LYS  16  -4.250 -18.341 -12.307
  144    HB3  LYS  16           3HB      LYS  16  -4.563 -16.688 -12.822
  145    HG2  LYS  16           2HG      LYS  16  -1.916 -16.581 -12.173
  146    HG3  LYS  16           3HG      LYS  16  -2.075 -18.218 -12.813
  147    HD2  LYS  16           2HD      LYS  16  -3.277 -15.909 -14.288
  148    HD3  LYS  16           3HD      LYS  16  -1.549 -16.244 -14.427
  149    HE2  LYS  16           2HE      LYS  16  -3.391 -18.537 -14.761
  150    HE3  LYS  16           3HE      LYS  16  -3.387 -17.328 -16.045
  151    HZ1  LYS  16           3HZ      LYS  16  -1.401 -19.293 -15.376
  152    HZ2  LYS  16           1HZ      LYS  16  -0.752 -17.743 -15.575
  153    HZ3  LYS  16           2HZ      LYS  16  -1.645 -18.452 -16.824
  154    H    LEU  17           H        LEU  17  -2.196 -15.762  -9.394
  155    HA   LEU  17           HA       LEU  17  -1.023 -18.320  -8.520
  156    HB2  LEU  17           2HB      LEU  17   0.377 -15.714  -9.097
  157    HB3  LEU  17           3HB      LEU  17   1.147 -17.147  -8.419
  158    HG   LEU  17           HG       LEU  17  -0.116 -17.004 -11.156
  159   HD11  LEU  17          1HD1      LEU  17   1.759 -15.631 -11.322
  160   HD12  LEU  17          2HD1      LEU  17   2.348 -17.211 -11.840
  161   HD13  LEU  17          3HD1      LEU  17   2.705 -16.626 -10.215
  162   HD21  LEU  17          3HD2      LEU  17   0.818 -19.177  -9.499
  163   HD22  LEU  17          1HD2      LEU  17   1.727 -19.084 -11.007
  164   HD23  LEU  17          2HD2      LEU  17  -0.031 -19.223 -11.045
  165    H    THR  18           H        THR  18  -1.994 -15.084  -7.656
  166    HA   THR  18           HA       THR  18  -0.918 -15.066  -5.029
  167    HB   THR  18           HB       THR  18  -2.159 -13.096  -4.646
  168    HG1  THR  18           HG1      THR  18  -3.954 -12.551  -6.051
  169   HG21  THR  18          3HG2      THR  18  -2.124 -12.484  -7.460
  170   HG22  THR  18          1HG2      THR  18  -0.698 -13.420  -7.015
  171   HG23  THR  18          2HG2      THR  18  -1.057 -11.909  -6.179
  172    H    HIS  19           H        HIS  19  -4.091 -15.927  -6.348
  173    HA   HIS  19           HA       HIS  19  -5.360 -16.400  -3.874
  174    HB2  HIS  19           2HB      HIS  19  -7.099 -17.460  -5.136
  175    HB3  HIS  19           3HB      HIS  19  -6.511 -16.100  -6.089
  176    HD1  HIS  19           HD1      HIS  19  -7.749 -19.189  -6.783
  177    HD2  HIS  19           HD2      HIS  19  -4.105 -17.432  -7.733
  178    HE1  HIS  19           HE1      HIS  19  -6.893 -20.454  -8.780
  179    H    ARG  20           H        ARG  20  -2.913 -18.095  -5.458
  180    HA   ARG  20           HA       ARG  20  -3.481 -20.511  -3.868
  181    HB2  ARG  20           2HB      ARG  20  -2.149 -20.237  -6.562
  182    HB3  ARG  20           3HB      ARG  20  -2.047 -21.699  -5.590
  183    HG2  ARG  20           2HG      ARG  20  -4.586 -20.454  -6.624
  184    HG3  ARG  20           3HG      ARG  20  -3.775 -21.866  -7.302
  185    HD2  ARG  20           2HD      ARG  20  -4.066 -23.013  -5.119
  186    HD3  ARG  20           3HD      ARG  20  -4.993 -21.623  -4.555
  187    HE   ARG  20           HE       ARG  20  -6.300 -22.325  -6.801
  188   HH11  ARG  20          1HH1      ARG  20  -5.233 -24.142  -4.029
  189   HH12  ARG  20          2HH1      ARG  20  -6.522 -25.296  -4.126
  190   HH21  ARG  20          1HH2      ARG  20  -8.001 -23.839  -6.939
  191   HH22  ARG  20          2HH2      ARG  20  -8.095 -25.123  -5.783
  192    H    LEU  21           H        LEU  21  -1.576 -17.848  -4.027
  193    HA   LEU  21           HA       LEU  21   0.878 -19.174  -3.153
  194    HB2  LEU  21           2HB      LEU  21   0.174 -16.503  -4.202
  195    HB3  LEU  21           3HB      LEU  21   1.480 -16.560  -3.020
  196    HG   LEU  21           HG       LEU  21   1.437 -18.149  -5.584
  197   HD11  LEU  21          1HD1      LEU  21   2.466 -15.424  -4.937
  198   HD12  LEU  21          2HD1      LEU  21   1.648 -16.004  -6.387
  199   HD13  LEU  21          3HD1      LEU  21   3.333 -16.434  -6.095
  200   HD21  LEU  21          3HD2      LEU  21   3.979 -17.569  -4.275
  201   HD22  LEU  21          1HD2      LEU  21   3.355 -19.086  -4.923
  202   HD23  LEU  21          2HD2      LEU  21   2.897 -18.565  -3.301
  203    H    PHE  22           H        PHE  22  -0.538 -16.122  -2.036
  204    HA   PHE  22           HA       PHE  22   0.269 -16.608   0.654
  205    HB2  PHE  22           2HB      PHE  22  -0.645 -14.471   1.156
  206    HB3  PHE  22           3HB      PHE  22   0.035 -14.340  -0.462
  207    HD1  PHE  22           HD2      PHE  22  -3.054 -14.484   1.500
  208    HD2  PHE  22           HD1      PHE  22  -1.370 -14.016  -2.381
  209    HE1  PHE  22           HE2      PHE  22  -5.222 -13.681   0.659
  210    HE2  PHE  22           HE1      PHE  22  -3.535 -13.211  -3.227
  211    HZ   PHE  22           HZ       PHE  22  -5.465 -13.044  -1.707
  212    H    ARG  23           H        ARG  23  -2.713 -16.990  -1.138
  213    HA   ARG  23           HA       ARG  23  -4.482 -17.269   1.026
  214    HB2  ARG  23           2HB      ARG  23  -4.721 -17.277  -1.708
  215    HB3  ARG  23           3HB      ARG  23  -5.072 -18.952  -1.305
  216    HG2  ARG  23           2HG      ARG  23  -7.118 -17.698  -1.388
  217    HG3  ARG  23           3HG      ARG  23  -6.795 -18.179   0.279
  218    HD2  ARG  23           2HD      ARG  23  -5.985 -15.975   0.809
  219    HD3  ARG  23           3HD      ARG  23  -6.114 -15.481  -0.879
  220    HE   ARG  23           HE       ARG  23  -8.367 -15.160  -0.585
  221   HH11  ARG  23          1HH1      ARG  23  -7.084 -16.935   2.121
  222   HH12  ARG  23          2HH1      ARG  23  -8.535 -16.810   3.059
  223   HH21  ARG  23          1HH2      ARG  23 -10.284 -14.988   0.640
  224   HH22  ARG  23          2HH2      ARG  23 -10.355 -15.703   2.215
  225    H    ARG  24           H        ARG  24  -2.362 -19.562  -0.590
  226    HA   ARG  24           HA       ARG  24  -2.160 -21.275   1.609
  227    HB2  ARG  24           2HB      ARG  24  -3.391 -23.259   0.639
  228    HB3  ARG  24           3HB      ARG  24  -4.406 -21.969   1.271
  229    HG2  ARG  24           2HG      ARG  24  -3.939 -21.428  -1.468
  230    HG3  ARG  24           3HG      ARG  24  -4.403 -23.125  -1.319
  231    HD2  ARG  24           2HD      ARG  24  -6.184 -21.950   0.353
  232    HD3  ARG  24           3HD      ARG  24  -5.970 -20.681  -0.852
  233    HE   ARG  24           HE       ARG  24  -7.058 -21.994  -2.391
  234   HH11  ARG  24          1HH1      ARG  24  -6.250 -23.901   0.408
  235   HH12  ARG  24          2HH1      ARG  24  -7.193 -25.266  -0.088
  236   HH21  ARG  24          1HH2      ARG  24  -8.304 -23.786  -3.055
  237   HH22  ARG  24          2HH2      ARG  24  -8.361 -25.200  -2.058
  Start of MODEL    5
    1    H1   TRP   1           H        TRP   1   2.418   0.330   0.717
    2    HA   TRP   1           HA       TRP   1   4.330  -0.294  -0.983
    3    HB2  TRP   1           2HB      TRP   1   2.678  -2.429  -1.254
    4    HB3  TRP   1           3HB      TRP   1   2.095  -1.408  -2.565
    5    HD1  TRP   1           HD1      TRP   1   3.166  -2.201  -4.741
    6    HE1  TRP   1           HE1      TRP   1   5.515  -2.948  -5.484
    7    HE3  TRP   1           HE3      TRP   1   5.552  -1.987  -0.225
    8    HZ2  TRP   1           HZ2      TRP   1   8.044  -3.389  -4.310
    9    HZ3  TRP   1           HZ3      TRP   1   7.935  -2.588  -0.120
   10    HH2  TRP   1           HH2      TRP   1   9.154  -3.275  -2.121
   11    H    TRP   2           H        TRP   2   4.536   1.744  -1.642
   12    HA   TRP   2           HA       TRP   2   2.226   3.316  -2.399
   13    HB2  TRP   2           2HB      TRP   2   3.513   5.100  -1.923
   14    HB3  TRP   2           3HB      TRP   2   4.652   3.934  -1.254
   15    HD1  TRP   2           HD1      TRP   2   6.949   3.662  -2.461
   16    HE1  TRP   2           HE1      TRP   2   8.057   4.814  -4.478
   17    HE3  TRP   2           HE3      TRP   2   2.890   6.173  -4.293
   18    HZ2  TRP   2           HZ2      TRP   2   7.310   6.558  -6.568
   19    HZ3  TRP   2           HZ3      TRP   2   3.172   7.562  -6.304
   20    HH2  TRP   2           HH2      TRP   2   5.337   7.749  -7.417
   21    H    TRP   3           H        TRP   3   4.881   1.658  -3.946
   22    HA   TRP   3           HA       TRP   3   4.276   2.821  -6.541
   23    HB2  TRP   3           2HB      TRP   3   6.593   1.839  -5.404
   24    HB3  TRP   3           3HB      TRP   3   6.122   0.551  -6.510
   25    HD1  TRP   3           HD1      TRP   3   5.605   4.299  -7.241
   26    HE1  TRP   3           HE1      TRP   3   6.988   4.912  -9.324
   27    HE3  TRP   3           HE3      TRP   3   8.060  -0.133  -7.918
   28    HZ2  TRP   3           HZ2      TRP   3   8.870   3.679 -11.028
   29    HZ3  TRP   3           HZ3      TRP   3   9.635  -0.334  -9.798
   30    HH2  TRP   3           HH2      TRP   3  10.030   1.534 -11.320
   31    H    LYS   4           H        LYS   4   2.309   1.133  -5.118
   32    HA   LYS   4           HA       LYS   4   2.145  -1.430  -6.252
   33    HB2  LYS   4           2HB      LYS   4   0.761  -0.199  -4.338
   34    HB3  LYS   4           3HB      LYS   4  -0.361   0.070  -5.665
   35    HG2  LYS   4           2HG      LYS   4  -0.572  -2.289  -6.042
   36    HG3  LYS   4           3HG      LYS   4   0.689  -2.632  -4.855
   37    HD2  LYS   4           2HD      LYS   4  -0.686  -2.234  -3.078
   38    HD3  LYS   4           3HD      LYS   4  -1.653  -1.045  -3.954
   39    HE2  LYS   4           2HE      LYS   4  -2.935  -2.679  -5.001
   40    HE3  LYS   4           3HE      LYS   4  -1.736  -3.939  -4.716
   41    HZ1  LYS   4           3HZ      LYS   4  -3.699  -2.795  -2.843
   42    HZ2  LYS   4           1HZ      LYS   4  -2.282  -3.504  -2.251
   43    HZ3  LYS   4           2HZ      LYS   4  -3.362  -4.419  -3.176
   44    H    TYR   5           H        TYR   5   1.685   1.644  -7.635
   45    HA   TYR   5           HA       TYR   5  -0.260   1.117  -9.582
   46    HB2  TYR   5           2HB      TYR   5   2.112   2.963  -9.895
   47    HB3  TYR   5           3HB      TYR   5   0.565   3.069 -10.727
   48    HD1  TYR   5           HD2      TYR   5  -1.379   2.758  -8.592
   49    HD2  TYR   5           HD1      TYR   5   2.319   4.863  -8.586
   50    HE1  TYR   5           HE2      TYR   5  -2.231   4.240  -6.824
   51    HE2  TYR   5           HE1      TYR   5   1.477   6.350  -6.817
   52    HH   TYR   5           HH       TYR   5  -0.417   6.052  -4.911
   53    H    GLU   6           H        GLU   6   3.235   0.611  -9.581
   54    HA   GLU   6           HA       GLU   6   3.406  -0.192 -12.303
   55    HB2  GLU   6           2HB      GLU   6   5.299   0.623 -10.793
   56    HB3  GLU   6           3HB      GLU   6   5.316  -1.000 -10.117
   57    HG2  GLU   6           2HG      GLU   6   5.648  -1.841 -12.473
   58    HG3  GLU   6           3HG      GLU   6   5.930  -0.163 -12.934
   59    H    ILE   7           H        ILE   7   2.803  -1.873  -9.290
   60    HA   ILE   7           HA       ILE   7   3.190  -4.506 -10.235
   61    HB   ILE   7           HB       ILE   7   1.734  -3.330  -7.900
   62   HG12  ILE   7          2HG1      ILE   7   4.203  -3.662  -7.876
   63   HG13  ILE   7          3HG1      ILE   7   3.369  -4.579  -6.626
   64   HG21  ILE   7          1HG2      ILE   7   0.220  -5.016  -8.218
   65   HG22  ILE   7          2HG2      ILE   7   1.386  -6.061  -9.028
   66   HG23  ILE   7          3HG2      ILE   7   1.440  -5.871  -7.275
   67   HD11  ILE   7          3HD1      ILE   7   4.451  -5.640  -9.223
   68   HD12  ILE   7          1HD1      ILE   7   5.084  -5.936  -7.604
   69   HD13  ILE   7          2HD1      ILE   7   3.509  -6.580  -8.067
   70    H    THR   8           H        THR   8   0.442  -2.325 -10.287
   71    HA   THR   8           HA       THR   8  -1.680  -3.953 -10.794
   72    HB   THR   8           HB       THR   8  -2.740  -2.170 -11.958
   73    HG1  THR   8           HG1      THR   8  -0.095  -1.440 -12.621
   74   HG21  THR   8          3HG2      THR   8  -2.413  -0.327 -10.495
   75   HG22  THR   8          1HG2      THR   8  -0.745  -0.794 -10.167
   76   HG23  THR   8          2HG2      THR   8  -2.073  -1.776  -9.549
   77    H    THR   9           H        THR   9   0.984  -3.230 -12.937
   78    HA   THR   9           HA       THR   9  -0.059  -4.044 -15.379
   79    HB   THR   9           HB       THR   9   2.270  -4.571 -16.040
   80    HG1  THR   9           HG1      THR   9   3.845  -4.002 -14.261
   81   HG21  THR   9          3HG2      THR   9   3.145  -2.347 -15.800
   82   HG22  THR   9          1HG2      THR   9   2.120  -2.043 -14.398
   83   HG23  THR   9          2HG2      THR   9   1.396  -2.231 -15.996
   84    H    ILE  10           H        ILE  10   2.011  -6.047 -13.269
   85    HA   ILE  10           HA       ILE  10   1.182  -8.454 -14.606
   86    HB   ILE  10           HB       ILE  10   2.723  -9.610 -13.260
   87   HG12  ILE  10          2HG1      ILE  10   1.785  -8.450 -11.128
   88   HG13  ILE  10          3HG1      ILE  10   3.456  -9.003 -11.132
   89   HG21  ILE  10          1HG2      ILE  10   4.755  -8.078 -13.242
   90   HG22  ILE  10          2HG2      ILE  10   3.933  -8.298 -14.785
   91   HG23  ILE  10          3HG2      ILE  10   3.675  -6.824 -13.851
   92   HD11  ILE  10          3HD1      ILE  10   4.271  -6.928 -10.953
   93   HD12  ILE  10          1HD1      ILE  10   3.070  -6.248 -12.051
   94   HD13  ILE  10          2HD1      ILE  10   2.654  -6.544 -10.363
   95    H    HIS  11           H        HIS  11   0.192  -6.671 -11.820
   96    HA   HIS  11           HA       HIS  11  -0.959  -8.631 -10.231
   97    HB2  HIS  11           2HB      HIS  11  -0.756  -6.261  -9.573
   98    HB3  HIS  11           3HB      HIS  11  -2.008  -5.837 -10.737
   99    HD1  HIS  11           HD1      HIS  11  -2.119  -8.751  -8.322
  100    HD2  HIS  11           HD2      HIS  11  -4.006  -5.116  -9.018
  101    HE1  HIS  11           HE1      HIS  11  -4.057  -8.683  -6.722
  102    H    ASN  12           H        ASN  12  -1.890  -7.536 -13.341
  103    HA   ASN  12           HA       ASN  12  -4.651  -8.272 -13.183
  104    HB2  ASN  12           2HB      ASN  12  -2.814  -7.235 -15.230
  105    HB3  ASN  12           3HB      ASN  12  -4.061  -8.308 -15.859
  106   HD21  ASN  12          1HD2      ASN  12  -4.024  -5.893 -13.262
  107   HD22  ASN  12          2HD2      ASN  12  -5.354  -4.971 -13.869
  108    H    LEU  13           H        LEU  13  -1.725  -9.980 -13.625
  109    HA   LEU  13           HA       LEU  13  -3.227 -12.365 -14.485
  110    HB2  LEU  13           2HB      LEU  13  -0.514 -12.809 -15.001
  111    HB3  LEU  13           3HB      LEU  13  -1.807 -12.556 -16.172
  112    HG   LEU  13           HG       LEU  13  -0.340 -10.230 -14.975
  113   HD11  LEU  13          1HD1      LEU  13   1.498 -11.345 -15.813
  114   HD12  LEU  13          2HD1      LEU  13   0.988 -10.385 -17.201
  115   HD13  LEU  13          3HD1      LEU  13   0.581 -12.099 -17.117
  116   HD21  LEU  13          3HD2      LEU  13  -1.295 -10.314 -17.770
  117   HD22  LEU  13          1HD2      LEU  13  -1.341  -9.004 -16.590
  118   HD23  LEU  13          2HD2      LEU  13  -2.533 -10.301 -16.513
  119    H    PHE  14           H        PHE  14  -1.239 -10.933 -12.114
  120    HA   PHE  14           HA       PHE  14  -0.178 -13.345 -10.995
  121    HB2  PHE  14           2HB      PHE  14   0.038 -10.503 -10.505
  122    HB3  PHE  14           3HB      PHE  14  -0.195 -11.377  -8.995
  123    HD1  PHE  14           HD1      PHE  14   1.426 -13.087  -8.291
  124    HD2  PHE  14           HD2      PHE  14   2.060 -10.681 -11.744
  125    HE1  PHE  14           HE1      PHE  14   3.806 -13.710  -8.283
  126    HE2  PHE  14           HE2      PHE  14   4.442 -11.301 -11.742
  127    HZ   PHE  14           HZ       PHE  14   5.317 -12.817 -10.011
  128    H    ARG  15           H        ARG  15  -3.141 -11.600 -10.721
  129    HA   ARG  15           HA       ARG  15  -4.026 -12.329  -8.192
  130    HB2  ARG  15           2HB      ARG  15  -6.323 -12.095  -9.137
  131    HB3  ARG  15           3HB      ARG  15  -5.264 -10.739  -9.501
  132    HG2  ARG  15           2HG      ARG  15  -5.681 -10.987 -11.657
  133    HG3  ARG  15           3HG      ARG  15  -5.018 -12.621 -11.605
  134    HD2  ARG  15           2HD      ARG  15  -7.095 -13.594 -11.305
  135    HD3  ARG  15           3HD      ARG  15  -7.805 -12.116 -10.656
  136    HE   ARG  15           HE       ARG  15  -7.038 -11.768 -13.364
  137   HH11  ARG  15          1HH1      ARG  15  -9.469 -13.234 -11.349
  138   HH12  ARG  15          2HH1      ARG  15 -10.705 -13.158 -12.561
  139   HH21  ARG  15          1HH2      ARG  15  -8.657 -11.662 -14.968
  140   HH22  ARG  15          2HH2      ARG  15 -10.242 -12.264 -14.619
  141    H    LYS  16           H        LYS  16  -3.749 -14.216 -11.097
  142    HA   LYS  16           HA       LYS  16  -5.489 -16.330 -10.370
  143    HB2  LYS  16           2HB      LYS  16  -4.567 -17.526 -12.199
  144    HB3  LYS  16           3HB      LYS  16  -4.580 -15.835 -12.682
  145    HG2  LYS  16           2HG      LYS  16  -2.469 -16.233 -13.303
  146    HG3  LYS  16           3HG      LYS  16  -2.110 -16.039 -11.586
  147    HD2  LYS  16           2HD      LYS  16  -1.060 -18.049 -12.202
  148    HD3  LYS  16           3HD      LYS  16  -2.543 -18.545 -11.383
  149    HE2  LYS  16           2HE      LYS  16  -3.627 -18.795 -13.594
  150    HE3  LYS  16           3HE      LYS  16  -2.090 -18.401 -14.362
  151    HZ1  LYS  16           3HZ      LYS  16  -1.206 -20.406 -13.836
  152    HZ2  LYS  16           1HZ      LYS  16  -2.829 -20.876 -13.908
  153    HZ3  LYS  16           2HZ      LYS  16  -2.102 -20.575 -12.411
  154    H    LEU  17           H        LEU  17  -2.244 -15.513  -9.486
  155    HA   LEU  17           HA       LEU  17  -1.704 -18.159  -8.396
  156    HB2  LEU  17           2HB      LEU  17   0.065 -16.894  -9.561
  157    HB3  LEU  17           3HB      LEU  17  -0.034 -15.649  -8.317
  158    HG   LEU  17           HG       LEU  17   0.432 -18.118  -7.010
  159   HD11  LEU  17          1HD1      LEU  17   2.801 -18.354  -8.164
  160   HD12  LEU  17          2HD1      LEU  17   1.897 -17.793  -9.570
  161   HD13  LEU  17          3HD1      LEU  17   1.395 -19.259  -8.727
  162   HD21  LEU  17          3HD2      LEU  17   2.300 -16.992  -6.124
  163   HD22  LEU  17          1HD2      LEU  17   1.094 -15.739  -6.417
  164   HD23  LEU  17          2HD2      LEU  17   2.441 -15.945  -7.536
  165    H    THR  18           H        THR  18  -2.504 -14.920  -7.326
  166    HA   THR  18           HA       THR  18  -1.916 -15.112  -4.618
  167    HB   THR  18           HB       THR  18  -3.557 -13.359  -4.242
  168    HG1  THR  18           HG1      THR  18  -4.582 -14.332  -6.657
  169   HG21  THR  18          3HG2      THR  18  -2.859 -11.788  -6.148
  170   HG22  THR  18          1HG2      THR  18  -1.919 -13.151  -6.753
  171   HG23  THR  18          2HG2      THR  18  -1.580 -12.486  -5.155
  172    H    HIS  19           H        HIS  19  -4.720 -16.265  -6.412
  173    HA   HIS  19           HA       HIS  19  -6.341 -16.932  -4.212
  174    HB2  HIS  19           2HB      HIS  19  -6.642 -16.993  -6.934
  175    HB3  HIS  19           3HB      HIS  19  -6.568 -18.708  -6.544
  176    HD1  HIS  19           HD1      HIS  19  -8.657 -15.646  -5.989
  177    HD2  HIS  19           HD2      HIS  19  -8.781 -19.721  -5.192
  178    HE1  HIS  19           HE1      HIS  19 -11.005 -16.109  -5.215
  179    H    ARG  20           H        ARG  20  -3.522 -18.405  -5.499
  180    HA   ARG  20           HA       ARG  20  -4.034 -20.873  -3.985
  181    HB2  ARG  20           2HB      ARG  20  -1.949 -20.324  -6.105
  182    HB3  ARG  20           3HB      ARG  20  -2.221 -21.866  -5.305
  183    HG2  ARG  20           2HG      ARG  20  -4.148 -20.430  -7.118
  184    HG3  ARG  20           3HG      ARG  20  -3.213 -21.876  -7.505
  185    HD2  ARG  20           2HD      ARG  20  -4.455 -22.699  -5.262
  186    HD3  ARG  20           3HD      ARG  20  -5.657 -21.567  -5.880
  187    HE   ARG  20           HE       ARG  20  -4.716 -23.374  -7.886
  188   HH11  ARG  20          1HH1      ARG  20  -6.927 -23.017  -5.221
  189   HH12  ARG  20          2HH1      ARG  20  -8.032 -24.215  -5.807
  190   HH21  ARG  20          1HH2      ARG  20  -6.163 -24.954  -8.668
  191   HH22  ARG  20          2HH2      ARG  20  -7.597 -25.317  -7.768
  192    H    LEU  21           H        LEU  21  -2.270 -17.975  -3.939
  193    HA   LEU  21           HA       LEU  21  -0.131 -19.021  -2.265
  194    HB2  LEU  21           2HB      LEU  21   0.772 -17.422  -3.618
  195    HB3  LEU  21           3HB      LEU  21  -0.703 -16.459  -3.648
  196    HG   LEU  21           HG       LEU  21  -0.196 -15.639  -1.387
  197   HD11  LEU  21          1HD1      LEU  21   2.566 -16.372  -1.263
  198   HD12  LEU  21          2HD1      LEU  21   1.570 -17.825  -1.338
  199   HD13  LEU  21          3HD1      LEU  21   1.289 -16.627  -0.074
  200   HD21  LEU  21          3HD2      LEU  21   2.095 -15.270  -3.314
  201   HD22  LEU  21          1HD2      LEU  21   1.635 -14.182  -2.004
  202   HD23  LEU  21          2HD2      LEU  21   0.558 -14.406  -3.383
  203    H    PHE  22           H        PHE  22  -3.044 -17.082  -2.007
  204    HA   PHE  22           HA       PHE  22  -2.566 -16.440   0.773
  205    HB2  PHE  22           2HB      PHE  22  -4.721 -15.818  -1.212
  206    HB3  PHE  22           3HB      PHE  22  -5.045 -15.613   0.507
  207    HD1  PHE  22           HD2      PHE  22  -3.758 -13.979   1.822
  208    HD2  PHE  22           HD1      PHE  22  -3.311 -14.317  -2.397
  209    HE1  PHE  22           HE2      PHE  22  -2.673 -11.771   1.764
  210    HE2  PHE  22           HE1      PHE  22  -2.224 -12.110  -2.462
  211    HZ   PHE  22           HZ       PHE  22  -1.905 -10.834  -0.380
  212    H    ARG  23           H        ARG  23  -4.238 -18.846  -1.076
  213    HA   ARG  23           HA       ARG  23  -5.712 -19.798   1.257
  214    HB2  ARG  23           2HB      ARG  23  -5.759 -20.496  -1.667
  215    HB3  ARG  23           3HB      ARG  23  -6.527 -21.533  -0.473
  216    HG2  ARG  23           2HG      ARG  23  -8.122 -19.936   0.075
  217    HG3  ARG  23           3HG      ARG  23  -7.170 -18.615  -0.606
  218    HD2  ARG  23           2HD      ARG  23  -8.122 -18.869  -2.601
  219    HD3  ARG  23           3HD      ARG  23  -7.754 -20.594  -2.615
  220    HE   ARG  23           HE       ARG  23 -10.263 -19.364  -1.955
  221   HH11  ARG  23          1HH1      ARG  23  -8.252 -22.171  -1.508
  222   HH12  ARG  23          2HH1      ARG  23  -9.579 -23.225  -1.147
  223   HH21  ARG  23          1HH2      ARG  23 -12.018 -20.741  -1.481
  224   HH22  ARG  23          2HH2      ARG  23 -11.721 -22.411  -1.133
  225    H    ARG  24           H        ARG  24  -2.969 -20.609  -0.737
  226    HA   ARG  24           HA       ARG  24  -2.231 -22.690   1.169
  227    HB2  ARG  24           2HB      ARG  24  -2.824 -23.131  -1.720
  228    HB3  ARG  24           3HB      ARG  24  -1.485 -24.019  -1.005
  229    HG2  ARG  24           2HG      ARG  24  -2.963 -25.523  -0.329
  230    HG3  ARG  24           3HG      ARG  24  -3.571 -24.318   0.807
  231    HD2  ARG  24           2HD      ARG  24  -5.479 -24.952  -0.354
  232    HD3  ARG  24           3HD      ARG  24  -4.978 -23.480  -1.185
  233    HE   ARG  24           HE       ARG  24  -4.658 -24.722  -3.070
  234   HH11  ARG  24          1HH1      ARG  24  -4.633 -26.853  -0.317
  235   HH12  ARG  24          2HH1      ARG  24  -4.546 -28.296  -1.271
  236   HH21  ARG  24          1HH2      ARG  24  -4.543 -26.615  -4.337
  237   HH22  ARG  24          2HH2      ARG  24  -4.494 -28.160  -3.557
  Start of MODEL    6
    1    H1   TRP   1           H        TRP   1   2.016   0.650   0.615
    2    HA   TRP   1           HA       TRP   1   3.775  -0.157  -0.918
    3    HB2  TRP   1           2HB      TRP   1   1.943  -2.081  -1.451
    4    HB3  TRP   1           3HB      TRP   1   1.734  -1.048  -2.863
    5    HD1  TRP   1           HD1      TRP   1   3.031  -2.126  -4.784
    6    HE1  TRP   1           HE1      TRP   1   5.373  -3.152  -5.084
    7    HE3  TRP   1           HE3      TRP   1   4.667  -1.847   0.052
    8    HZ2  TRP   1           HZ2      TRP   1   7.616  -3.762  -3.483
    9    HZ3  TRP   1           HZ3      TRP   1   6.922  -2.674   0.584
   10    HH2  TRP   1           HH2      TRP   1   8.364  -3.612  -1.149
   11    H    TRP   2           H        TRP   2   4.389   1.775  -1.626
   12    HA   TRP   2           HA       TRP   2   2.482   3.628  -2.768
   13    HB2  TRP   2           2HB      TRP   2   3.946   5.222  -2.154
   14    HB3  TRP   2           3HB      TRP   2   4.787   3.937  -1.293
   15    HD1  TRP   2           HD1      TRP   2   7.160   3.264  -2.146
   16    HE1  TRP   2           HE1      TRP   2   8.706   4.144  -4.007
   17    HE3  TRP   2           HE3      TRP   2   3.837   6.267  -4.611
   18    HZ2  TRP   2           HZ2      TRP   2   8.539   5.881  -6.226
   19    HZ3  TRP   2           HZ3      TRP   2   4.610   7.504  -6.593
   20    HH2  TRP   2           HH2      TRP   2   6.913   7.314  -7.382
   21    H    TRP   3           H        TRP   3   5.066   1.538  -3.852
   22    HA   TRP   3           HA       TRP   3   4.994   2.634  -6.546
   23    HB2  TRP   3           2HB      TRP   3   6.970   1.401  -5.040
   24    HB3  TRP   3           3HB      TRP   3   6.503   0.161  -6.201
   25    HD1  TRP   3           HD1      TRP   3   6.547   3.904  -7.073
   26    HE1  TRP   3           HE1      TRP   3   8.319   4.291  -8.899
   27    HE3  TRP   3           HE3      TRP   3   8.603  -0.774  -7.212
   28    HZ2  TRP   3           HZ2      TRP   3  10.323   2.809 -10.224
   29    HZ3  TRP   3           HZ3      TRP   3  10.444  -1.207  -8.787
   30    HH2  TRP   3           HH2      TRP   3  11.284   0.548 -10.261
   31    H    LYS   4           H        LYS   4   2.646   1.275  -5.359
   32    HA   LYS   4           HA       LYS   4   2.321  -1.297  -6.457
   33    HB2  LYS   4           2HB      LYS   4   0.875   0.179  -4.745
   34    HB3  LYS   4           3HB      LYS   4  -0.061   0.460  -6.208
   35    HG2  LYS   4           2HG      LYS   4   0.413  -2.292  -6.150
   36    HG3  LYS   4           3HG      LYS   4   0.004  -1.842  -4.492
   37    HD2  LYS   4           2HD      LYS   4  -1.867  -0.446  -5.845
   38    HD3  LYS   4           3HD      LYS   4  -1.655  -1.820  -6.932
   39    HE2  LYS   4           2HE      LYS   4  -2.034  -3.341  -5.022
   40    HE3  LYS   4           3HE      LYS   4  -2.330  -1.940  -3.994
   41    HZ1  LYS   4           3HZ      LYS   4  -4.181  -1.344  -5.482
   42    HZ2  LYS   4           1HZ      LYS   4  -4.408  -2.842  -4.728
   43    HZ3  LYS   4           2HZ      LYS   4  -3.932  -2.774  -6.350
   44    H    TYR   5           H        TYR   5   2.433   1.755  -7.930
   45    HA   TYR   5           HA       TYR   5   0.659   1.421 -10.081
   46    HB2  TYR   5           2HB      TYR   5   3.260   2.957 -10.148
   47    HB3  TYR   5           3HB      TYR   5   1.833   3.232 -11.141
   48    HD1  TYR   5           HD2      TYR   5  -0.332   3.170  -9.174
   49    HD2  TYR   5           HD1      TYR   5   3.550   4.889  -8.892
   50    HE1  TYR   5           HE2      TYR   5  -1.174   4.786  -7.521
   51    HE2  TYR   5           HE1      TYR   5   2.719   6.509  -7.238
   52    HH   TYR   5           HH       TYR   5   0.359   7.540  -6.696
   53    H    GLU   6           H        GLU   6   3.838   0.160  -9.477
   54    HA   GLU   6           HA       GLU   6   4.146  -0.740 -12.234
   55    HB2  GLU   6           2HB      GLU   6   6.047  -1.434 -10.024
   56    HB3  GLU   6           3HB      GLU   6   6.374  -1.199 -11.735
   57    HG2  GLU   6           2HG      GLU   6   5.489   1.267 -11.012
   58    HG3  GLU   6           3HG      GLU   6   6.309   0.737  -9.544
   59    H    ILE   7           H        ILE   7   2.433  -1.787  -9.707
   60    HA   ILE   7           HA       ILE   7   3.076  -4.629 -10.062
   61    HB   ILE   7           HB       ILE   7   1.615  -3.112  -7.930
   62   HG12  ILE   7          2HG1      ILE   7   4.058  -3.535  -7.752
   63   HG13  ILE   7          3HG1      ILE   7   3.138  -4.293  -6.457
   64   HG21  ILE   7          1HG2      ILE   7   0.036  -4.754  -8.104
   65   HG22  ILE   7          2HG2      ILE   7   1.169  -5.928  -8.769
   66   HG23  ILE   7          3HG2      ILE   7   1.190  -5.562  -7.044
   67   HD11  ILE   7          3HD1      ILE   7   3.248  -6.429  -7.711
   68   HD12  ILE   7          1HD1      ILE   7   4.304  -5.636  -8.880
   69   HD13  ILE   7          2HD1      ILE   7   4.820  -5.812  -7.202
   70    H    THR   8           H        THR   8   0.440  -2.301 -10.328
   71    HA   THR   8           HA       THR   8  -1.717  -3.912 -10.826
   72    HB   THR   8           HB       THR   8  -2.733  -2.117 -12.010
   73    HG1  THR   8           HG1      THR   8  -1.622  -0.689 -13.198
   74   HG21  THR   8          3HG2      THR   8  -2.387  -0.265 -10.553
   75   HG22  THR   8          1HG2      THR   8  -0.744  -0.782 -10.180
   76   HG23  THR   8          2HG2      THR   8  -2.118  -1.722  -9.596
   77    H    THR   9           H        THR   9   1.007  -3.269 -12.908
   78    HA   THR   9           HA       THR   9   0.002  -4.042 -15.378
   79    HB   THR   9           HB       THR   9   2.154  -3.126 -15.431
   80    HG1  THR   9           HG1      THR   9   2.738  -4.542 -16.879
   81   HG21  THR   9          3HG2      THR   9   2.491  -4.456 -12.971
   82   HG22  THR   9          1HG2      THR   9   3.594  -3.317 -13.741
   83   HG23  THR   9          2HG2      THR   9   3.765  -5.047 -14.037
   84    H    ILE  10           H        ILE  10   1.683  -6.084 -12.984
   85    HA   ILE  10           HA       ILE  10   0.869  -8.478 -14.421
   86    HB   ILE  10           HB       ILE  10   2.338  -9.695 -13.060
   87   HG12  ILE  10          2HG1      ILE  10   1.393  -8.497 -10.942
   88   HG13  ILE  10          3HG1      ILE  10   3.026  -9.154 -10.905
   89   HG21  ILE  10          1HG2      ILE  10   4.434  -8.264 -12.984
   90   HG22  ILE  10          2HG2      ILE  10   3.630  -8.406 -14.546
   91   HG23  ILE  10          3HG2      ILE  10   3.429  -6.944 -13.581
   92   HD11  ILE  10          3HD1      ILE  10   3.975  -7.127 -10.726
   93   HD12  ILE  10          1HD1      ILE  10   2.796  -6.360 -11.790
   94   HD13  ILE  10          2HD1      ILE  10   2.388  -6.676 -10.103
   95    H    HIS  11           H        HIS  11  -0.096  -6.610 -11.689
   96    HA   HIS  11           HA       HIS  11  -1.367  -8.500 -10.098
   97    HB2  HIS  11           2HB      HIS  11  -1.044  -6.131  -9.464
   98    HB3  HIS  11           3HB      HIS  11  -2.272  -5.663 -10.637
   99    HD1  HIS  11           HD1      HIS  11  -2.501  -8.531  -8.170
  100    HD2  HIS  11           HD2      HIS  11  -4.262  -4.851  -8.957
  101    HE1  HIS  11           HE1      HIS  11  -4.445  -8.364  -6.585
  102    H    ASN  12           H        ASN  12  -2.169  -7.410 -13.237
  103    HA   ASN  12           HA       ASN  12  -4.973  -8.007 -13.112
  104    HB2  ASN  12           2HB      ASN  12  -3.124  -6.886 -15.039
  105    HB3  ASN  12           3HB      ASN  12  -4.181  -8.072 -15.800
  106   HD21  ASN  12          1HD2      ASN  12  -3.860  -4.900 -14.951
  107   HD22  ASN  12          2HD2      ASN  12  -5.520  -4.424 -15.008
  108    H    LEU  13           H        LEU  13  -2.117  -9.831 -13.517
  109    HA   LEU  13           HA       LEU  13  -3.699 -12.143 -14.431
  110    HB2  LEU  13           2HB      LEU  13  -1.465 -13.023 -15.259
  111    HB3  LEU  13           3HB      LEU  13  -2.204 -11.709 -16.172
  112    HG   LEU  13           HG       LEU  13  -0.653 -10.182 -14.767
  113   HD11  LEU  13          1HD1      LEU  13   1.415 -12.156 -14.672
  114   HD12  LEU  13          2HD1      LEU  13   0.045 -12.684 -13.695
  115   HD13  LEU  13          3HD1      LEU  13   0.800 -11.121 -13.383
  116   HD21  LEU  13          3HD2      LEU  13  -0.063 -11.864 -17.126
  117   HD22  LEU  13          1HD2      LEU  13   1.300 -11.025 -16.387
  118   HD23  LEU  13          2HD2      LEU  13  -0.093 -10.108 -16.960
  119    H    PHE  14           H        PHE  14  -1.756 -10.811 -11.985
  120    HA   PHE  14           HA       PHE  14  -0.809 -13.284 -10.874
  121    HB2  PHE  14           2HB      PHE  14  -0.454 -10.459 -10.365
  122    HB3  PHE  14           3HB      PHE  14  -0.759 -11.327  -8.864
  123    HD1  PHE  14           HD1      PHE  14   0.760 -13.111  -8.133
  124    HD2  PHE  14           HD2      PHE  14   1.574 -10.748 -11.578
  125    HE1  PHE  14           HE1      PHE  14   3.105 -13.857  -8.086
  126    HE2  PHE  14           HE2      PHE  14   3.919 -11.491 -11.538
  127    HZ   PHE  14           HZ       PHE  14   4.687 -13.048  -9.791
  128    H    ARG  15           H        ARG  15  -3.685 -11.396 -10.651
  129    HA   ARG  15           HA       ARG  15  -4.649 -12.093  -8.138
  130    HB2  ARG  15           2HB      ARG  15  -6.925 -11.762  -9.162
  131    HB3  ARG  15           3HB      ARG  15  -5.802 -10.429  -9.394
  132    HG2  ARG  15           2HG      ARG  15  -5.859 -10.623 -11.613
  133    HG3  ARG  15           3HG      ARG  15  -5.715 -12.381 -11.551
  134    HD2  ARG  15           2HD      ARG  15  -8.235 -10.776 -11.137
  135    HD3  ARG  15           3HD      ARG  15  -7.826 -11.727 -12.564
  136    HE   ARG  15           HE       ARG  15  -7.815 -13.281 -10.162
  137   HH11  ARG  15          1HH1      ARG  15  -9.844 -11.941 -12.653
  138   HH12  ARG  15          2HH1      ARG  15 -11.090 -13.129 -12.459
  139   HH21  ARG  15          1HH2      ARG  15  -9.448 -14.850  -9.896
  140   HH22  ARG  15          2HH2      ARG  15 -10.864 -14.783 -10.889
  141    H    LYS  16           H        LYS  16  -4.349 -13.987 -11.018
  142    HA   LYS  16           HA       LYS  16  -6.227 -16.016 -10.290
  143    HB2  LYS  16           2HB      LYS  16  -5.452 -17.205 -12.189
  144    HB3  LYS  16           3HB      LYS  16  -5.411 -15.504 -12.634
  145    HG2  LYS  16           2HG      LYS  16  -3.373 -16.080 -13.407
  146    HG3  LYS  16           3HG      LYS  16  -2.911 -15.761 -11.734
  147    HD2  LYS  16           2HD      LYS  16  -2.503 -17.936 -11.300
  148    HD3  LYS  16           3HD      LYS  16  -3.872 -18.490 -12.267
  149    HE2  LYS  16           2HE      LYS  16  -1.663 -17.304 -13.800
  150    HE3  LYS  16           3HE      LYS  16  -1.263 -18.800 -12.958
  151    HZ1  LYS  16           3HZ      LYS  16  -3.784 -18.895 -14.340
  152    HZ2  LYS  16           1HZ      LYS  16  -2.499 -19.995 -14.357
  153    HZ3  LYS  16           2HZ      LYS  16  -2.467 -18.643 -15.371
  154    H    LEU  17           H        LEU  17  -2.909 -15.358  -9.555
  155    HA   LEU  17           HA       LEU  17  -2.332 -18.040  -8.647
  156    HB2  LEU  17           2HB      LEU  17  -0.632 -16.500  -9.651
  157    HB3  LEU  17           3HB      LEU  17  -0.743 -15.523  -8.188
  158    HG   LEU  17           HG       LEU  17  -0.063 -17.677  -6.951
  159   HD11  LEU  17          1HD1      LEU  17  -0.274 -19.353  -8.555
  160   HD12  LEU  17          2HD1      LEU  17   1.464 -19.066  -8.472
  161   HD13  LEU  17          3HD1      LEU  17   0.522 -18.392  -9.802
  162   HD21  LEU  17          3HD2      LEU  17   1.312 -15.553  -7.547
  163   HD22  LEU  17          1HD2      LEU  17   2.108 -16.615  -8.709
  164   HD23  LEU  17          2HD2      LEU  17   2.147 -17.004  -6.989
  165    H    THR  18           H        THR  18  -3.276 -14.965  -7.258
  166    HA   THR  18           HA       THR  18  -2.717 -15.423  -4.574
  167    HB   THR  18           HB       THR  18  -4.424 -13.777  -4.045
  168    HG1  THR  18           HG1      THR  18  -5.223 -13.586  -6.729
  169   HG21  THR  18          3HG2      THR  18  -3.759 -11.988  -5.759
  170   HG22  THR  18          1HG2      THR  18  -2.766 -13.246  -6.495
  171   HG23  THR  18          2HG2      THR  18  -2.467 -12.747  -4.830
  172    H    HIS  19           H        HIS  19  -5.456 -16.469  -6.529
  173    HA   HIS  19           HA       HIS  19  -7.157 -17.373  -4.527
  174    HB2  HIS  19           2HB      HIS  19  -7.494 -17.253  -7.102
  175    HB3  HIS  19           3HB      HIS  19  -6.834 -18.886  -7.102
  176    HD1  HIS  19           HD1      HIS  19  -9.947 -17.129  -6.864
  177    HD2  HIS  19           HD2      HIS  19  -8.417 -20.646  -5.266
  178    HE1  HIS  19           HE1      HIS  19 -11.950 -18.460  -6.127
  179    H    ARG  20           H        ARG  20  -4.184 -18.706  -5.694
  180    HA   ARG  20           HA       ARG  20  -4.647 -21.196  -4.209
  181    HB2  ARG  20           2HB      ARG  20  -2.333 -20.597  -6.049
  182    HB3  ARG  20           3HB      ARG  20  -2.870 -22.167  -5.466
  183    HG2  ARG  20           2HG      ARG  20  -4.477 -20.394  -7.292
  184    HG3  ARG  20           3HG      ARG  20  -3.444 -21.719  -7.833
  185    HD2  ARG  20           2HD      ARG  20  -5.021 -22.849  -5.853
  186    HD3  ARG  20           3HD      ARG  20  -6.123 -21.783  -6.723
  187    HE   ARG  20           HE       ARG  20  -5.006 -24.234  -7.665
  188   HH11  ARG  20          1HH1      ARG  20  -6.136 -21.096  -8.664
  189   HH12  ARG  20          2HH1      ARG  20  -6.540 -21.609 -10.269
  190   HH21  ARG  20          1HH2      ARG  20  -5.534 -24.921  -9.775
  191   HH22  ARG  20          2HH2      ARG  20  -6.199 -23.784 -10.900
  192    H    LEU  21           H        LEU  21  -2.775 -18.282  -4.245
  193    HA   LEU  21           HA       LEU  21  -0.741 -19.179  -2.443
  194    HB2  LEU  21           2HB      LEU  21  -1.618 -16.402  -3.222
  195    HB3  LEU  21           3HB      LEU  21  -0.187 -16.773  -2.261
  196    HG   LEU  21           HG       LEU  21  -0.491 -17.933  -5.003
  197   HD11  LEU  21          1HD1      LEU  21  -0.228 -15.112  -4.345
  198   HD12  LEU  21          2HD1      LEU  21  -0.569 -15.890  -5.890
  199   HD13  LEU  21          3HD1      LEU  21   1.097 -15.714  -5.341
  200   HD21  LEU  21          3HD2      LEU  21   2.099 -17.320  -4.687
  201   HD22  LEU  21          1HD2      LEU  21   1.394 -18.844  -4.148
  202   HD23  LEU  21          2HD2      LEU  21   1.640 -17.531  -2.996
  203    H    PHE  22           H        PHE  22  -3.867 -17.635  -2.126
  204    HA   PHE  22           HA       PHE  22  -3.496 -17.214   0.730
  205    HB2  PHE  22           2HB      PHE  22  -5.646 -16.486  -1.238
  206    HB3  PHE  22           3HB      PHE  22  -5.954 -16.409   0.494
  207    HD1  PHE  22           HD1      PHE  22  -4.742 -14.814   1.901
  208    HD2  PHE  22           HD2      PHE  22  -4.242 -14.892  -2.325
  209    HE1  PHE  22           HE1      PHE  22  -3.713 -12.580   1.985
  210    HE2  PHE  22           HE2      PHE  22  -3.212 -12.659  -2.248
  211    HZ   PHE  22           HZ       PHE  22  -2.946 -11.500  -0.091
  212    H    ARG  23           H        ARG  23  -4.977 -19.456  -1.453
  213    HA   ARG  23           HA       ARG  23  -6.945 -20.620   0.092
  214    HB2  ARG  23           2HB      ARG  23  -5.690 -21.198  -2.320
  215    HB3  ARG  23           3HB      ARG  23  -5.376 -22.616  -1.328
  216    HG2  ARG  23           2HG      ARG  23  -7.385 -22.958  -2.594
  217    HG3  ARG  23           3HG      ARG  23  -7.798 -22.800  -0.886
  218    HD2  ARG  23           2HD      ARG  23  -7.943 -20.212  -1.754
  219    HD3  ARG  23           3HD      ARG  23  -8.510 -21.105  -3.165
  220    HE   ARG  23           HE       ARG  23  -9.910 -20.711  -0.721
  221   HH11  ARG  23          1HH1      ARG  23  -9.407 -22.990  -3.303
  222   HH12  ARG  23          2HH1      ARG  23 -10.952 -23.750  -3.109
  223   HH21  ARG  23          1HH2      ARG  23 -11.947 -21.702  -0.455
  224   HH22  ARG  23          2HH2      ARG  23 -12.397 -23.016  -1.490
  225    H    ARG  24           H        ARG  24  -3.473 -20.935   0.334
  226    HA   ARG  24           HA       ARG  24  -3.279 -23.235   1.892
  227    HB2  ARG  24           2HB      ARG  24  -1.571 -20.743   1.875
  228    HB3  ARG  24           3HB      ARG  24  -1.143 -22.215   2.737
  229    HG2  ARG  24           2HG      ARG  24  -0.910 -23.438   0.730
  230    HG3  ARG  24           3HG      ARG  24  -1.678 -22.163  -0.218
  231    HD2  ARG  24           2HD      ARG  24   0.184 -20.769  -0.076
  232    HD3  ARG  24           3HD      ARG  24   0.840 -21.632   1.314
  233    HE   ARG  24           HE       ARG  24   1.230 -22.265  -1.456
  234   HH11  ARG  24          1HH1      ARG  24   1.146 -23.558   1.775
  235   HH12  ARG  24          2HH1      ARG  24   2.173 -24.903   1.404
  236   HH21  ARG  24          1HH2      ARG  24   2.583 -24.031  -1.958
  237   HH22  ARG  24          2HH2      ARG  24   2.991 -25.171  -0.720
  Start of MODEL    7
    1    H1   TRP   1           H        TRP   1   4.510  -0.448   0.958
    2    HA   TRP   1           HA       TRP   1   5.154  -0.257  -1.223
    3    HB2  TRP   1           2HB      TRP   1   3.833  -2.639  -1.224
    4    HB3  TRP   1           3HB      TRP   1   2.874  -1.725  -2.385
    5    HD1  TRP   1           HD1      TRP   1   3.659  -2.181  -4.765
    6    HE1  TRP   1           HE1      TRP   1   5.915  -2.623  -5.922
    7    HE3  TRP   1           HE3      TRP   1   6.722  -1.986  -0.676
    8    HZ2  TRP   1           HZ2      TRP   1   8.633  -2.857  -5.198
    9    HZ3  TRP   1           HZ3      TRP   1   9.137  -2.330  -0.994
   10    HH2  TRP   1           HH2      TRP   1  10.071  -2.757  -3.209
   11    H    TRP   2           H        TRP   2   4.873   1.798  -1.808
   12    HA   TRP   2           HA       TRP   2   2.186   2.870  -2.154
   13    HB2  TRP   2           2HB      TRP   2   3.143   4.736  -1.380
   14    HB3  TRP   2           3HB      TRP   2   4.717   3.946  -1.386
   15    HD1  TRP   2           HD1      TRP   2   2.679   6.533  -3.218
   16    HE1  TRP   2           HE1      TRP   2   4.104   7.580  -5.089
   17    HE3  TRP   2           HE3      TRP   2   6.650   3.315  -3.111
   18    HZ2  TRP   2           HZ2      TRP   2   6.583   7.103  -6.353
   19    HZ3  TRP   2           HZ3      TRP   2   8.507   3.680  -4.684
   20    HH2  TRP   2           HH2      TRP   2   8.471   5.535  -6.271
   21    H    TRP   3           H        TRP   3   4.886   1.794  -4.034
   22    HA   TRP   3           HA       TRP   3   3.932   3.050  -6.471
   23    HB2  TRP   3           2HB      TRP   3   6.426   2.284  -5.613
   24    HB3  TRP   3           3HB      TRP   3   6.005   0.987  -6.727
   25    HD1  TRP   3           HD1      TRP   3   5.058   4.696  -7.220
   26    HE1  TRP   3           HE1      TRP   3   6.153   5.521  -9.398
   27    HE3  TRP   3           HE3      TRP   3   7.806   0.541  -8.371
   28    HZ2  TRP   3           HZ2      TRP   3   7.943   4.540 -11.347
   29    HZ3  TRP   3           HZ3      TRP   3   9.183   0.566 -10.410
   30    HH2  TRP   3           HH2      TRP   3   9.248   2.524 -11.866
   31    H    LYS   4           H        LYS   4   2.382   0.951  -4.958
   32    HA   LYS   4           HA       LYS   4   2.348  -1.491  -6.277
   33    HB2  LYS   4           2HB      LYS   4   1.035  -0.697  -4.192
   34    HB3  LYS   4           3HB      LYS   4  -0.178  -0.153  -5.343
   35    HG2  LYS   4           2HG      LYS   4   0.758  -2.924  -5.684
   36    HG3  LYS   4           3HG      LYS   4  -0.163  -2.591  -4.216
   37    HD2  LYS   4           2HD      LYS   4  -1.417  -1.333  -6.473
   38    HD3  LYS   4           3HD      LYS   4  -1.158  -3.048  -6.803
   39    HE2  LYS   4           2HE      LYS   4  -2.663  -3.699  -5.259
   40    HE3  LYS   4           3HE      LYS   4  -2.185  -2.443  -4.118
   41    HZ1  LYS   4           3HZ      LYS   4  -4.328  -2.457  -6.024
   42    HZ2  LYS   4           1HZ      LYS   4  -3.382  -1.057  -6.121
   43    HZ3  LYS   4           2HZ      LYS   4  -4.108  -1.488  -4.655
   44    H    TYR   5           H        TYR   5   1.319   1.606  -7.367
   45    HA   TYR   5           HA       TYR   5  -0.638   1.015  -9.224
   46    HB2  TYR   5           2HB      TYR   5   1.589   3.023  -9.609
   47    HB3  TYR   5           3HB      TYR   5   0.003   3.050 -10.371
   48    HD1  TYR   5           HD2      TYR   5  -1.811   2.521  -8.157
   49    HD2  TYR   5           HD1      TYR   5   1.714   4.901  -8.254
   50    HE1  TYR   5           HE2      TYR   5  -2.684   3.879  -6.302
   51    HE2  TYR   5           HE1      TYR   5   0.852   6.265  -6.398
   52    HH   TYR   5           HH       TYR   5  -1.425   5.403  -4.387
   53    H    GLU   6           H        GLU   6   2.872   0.752  -9.540
   54    HA   GLU   6           HA       GLU   6   2.844   0.042 -12.295
   55    HB2  GLU   6           2HB      GLU   6   4.804   0.967 -10.936
   56    HB3  GLU   6           3HB      GLU   6   5.014  -0.669 -10.330
   57    HG2  GLU   6           2HG      GLU   6   5.277  -1.454 -12.659
   58    HG3  GLU   6           3HG      GLU   6   5.186   0.222 -13.198
   59    H    ILE   7           H        ILE   7   2.647  -1.752  -9.296
   60    HA   ILE   7           HA       ILE   7   3.142  -4.324 -10.369
   61    HB   ILE   7           HB       ILE   7   1.866  -3.332  -7.851
   62   HG12  ILE   7          2HG1      ILE   7   4.342  -3.460  -8.102
   63   HG13  ILE   7          3HG1      ILE   7   3.725  -4.478  -6.805
   64   HG21  ILE   7          1HG2      ILE   7   0.464  -5.126  -8.060
   65   HG22  ILE   7          2HG2      ILE   7   1.608  -6.047  -9.033
   66   HG23  ILE   7          3HG2      ILE   7   1.846  -5.906  -7.292
   67   HD11  ILE   7          3HD1      ILE   7   4.599  -5.370  -9.540
   68   HD12  ILE   7          1HD1      ILE   7   5.421  -5.663  -8.007
   69   HD13  ILE   7          2HD1      ILE   7   3.860  -6.418  -8.330
   70    H    THR   8           H        THR   8   0.249  -2.364 -10.039
   71    HA   THR   8           HA       THR   8  -1.788  -4.138 -10.374
   72    HB   THR   8           HB       THR   8  -3.101  -2.411 -11.352
   73    HG1  THR   8           HG1      THR   8  -0.601  -1.342 -12.175
   74   HG21  THR   8          3HG2      THR   8  -2.753  -0.591  -9.863
   75   HG22  THR   8          1HG2      THR   8  -1.031  -0.941  -9.728
   76   HG23  THR   8          2HG2      THR   8  -2.212  -2.039  -9.014
   77    H    THR   9           H        THR   9   0.558  -3.145 -12.767
   78    HA   THR   9           HA       THR   9  -0.686  -3.968 -15.109
   79    HB   THR   9           HB       THR   9   1.587  -4.291 -16.039
   80    HG1  THR   9           HG1      THR   9   3.367  -3.936 -14.626
   81   HG21  THR   9          3HG2      THR   9   2.266  -2.022 -15.888
   82   HG22  THR   9          1HG2      THR   9   1.520  -1.830 -14.302
   83   HG23  THR   9          2HG2      THR   9   0.509  -2.020 -15.735
   84    H    ILE  10           H        ILE  10   1.750  -5.862 -13.312
   85    HA   ILE  10           HA       ILE  10   0.959  -8.287 -14.641
   86    HB   ILE  10           HB       ILE  10   2.723  -9.357 -13.516
   87   HG12  ILE  10          2HG1      ILE  10   1.947  -8.332 -11.252
   88   HG13  ILE  10          3HG1      ILE  10   3.643  -8.756 -11.460
   89   HG21  ILE  10          1HG2      ILE  10   4.624  -7.670 -13.665
   90   HG22  ILE  10          2HG2      ILE  10   3.653  -7.912 -15.115
   91   HG23  ILE  10          3HG2      ILE  10   3.391  -6.490 -14.106
   92   HD11  ILE  10          3HD1      ILE  10   2.954  -6.014 -12.231
   93   HD12  ILE  10          1HD1      ILE  10   2.752  -6.387 -10.519
   94   HD13  ILE  10          2HD1      ILE  10   4.317  -6.629 -11.296
   95    H    HIS  11           H        HIS  11   0.157  -6.668 -11.698
   96    HA   HIS  11           HA       HIS  11  -0.656  -8.754 -10.064
   97    HB2  HIS  11           2HB      HIS  11  -0.568  -6.392  -9.351
   98    HB3  HIS  11           3HB      HIS  11  -1.971  -6.043 -10.357
   99    HD1  HIS  11           HD1      HIS  11  -1.588  -9.020  -8.050
  100    HD2  HIS  11           HD2      HIS  11  -3.811  -5.528  -8.402
  101    HE1  HIS  11           HE1      HIS  11  -3.334  -9.150  -6.245
  102    H    ASN  12           H        ASN  12  -2.016  -7.652 -13.011
  103    HA   ASN  12           HA       ASN  12  -4.673  -8.619 -12.579
  104    HB2  ASN  12           2HB      ASN  12  -3.143  -7.464 -14.838
  105    HB3  ASN  12           3HB      ASN  12  -4.486  -8.517 -15.272
  106   HD21  ASN  12          1HD2      ASN  12  -3.624  -5.412 -14.633
  107   HD22  ASN  12          2HD2      ASN  12  -5.173  -4.761 -14.230
  108    H    LEU  13           H        LEU  13  -1.691 -10.072 -13.386
  109    HA   LEU  13           HA       LEU  13  -3.086 -12.544 -14.179
  110    HB2  LEU  13           2HB      LEU  13  -1.337 -13.116 -15.616
  111    HB3  LEU  13           3HB      LEU  13  -1.626 -11.404 -15.917
  112    HG   LEU  13           HG       LEU  13   0.375 -11.503 -13.956
  113   HD11  LEU  13          1HD1      LEU  13   2.093 -12.886 -14.954
  114   HD12  LEU  13          2HD1      LEU  13   0.971 -13.419 -16.206
  115   HD13  LEU  13          3HD1      LEU  13   0.695 -13.873 -14.524
  116   HD21  LEU  13          3HD2      LEU  13   1.683 -10.388 -15.589
  117   HD22  LEU  13          1HD2      LEU  13   0.010  -9.901 -15.864
  118   HD23  LEU  13          2HD2      LEU  13   0.762 -11.102 -16.914
  119    H    PHE  14           H        PHE  14  -0.944 -11.029 -11.985
  120    HA   PHE  14           HA       PHE  14   0.367 -13.397 -11.050
  121    HB2  PHE  14           2HB      PHE  14   0.450 -10.552 -10.487
  122    HB3  PHE  14           3HB      PHE  14   0.483 -11.499  -9.003
  123    HD1  PHE  14           HD1      PHE  14   2.295 -13.123  -8.614
  124    HD2  PHE  14           HD2      PHE  14   2.300 -10.510 -11.974
  125    HE1  PHE  14           HE1      PHE  14   4.693 -13.562  -8.947
  126    HE2  PHE  14           HE2      PHE  14   4.698 -10.946 -12.313
  127    HZ   PHE  14           HZ       PHE  14   5.897 -12.474 -10.799
  128    H    ARG  15           H        ARG  15  -2.725 -12.106 -10.630
  129    HA   ARG  15           HA       ARG  15  -3.184 -13.071  -7.960
  130    HB2  ARG  15           2HB      ARG  15  -5.421 -12.319  -8.234
  131    HB3  ARG  15           3HB      ARG  15  -4.400 -11.135  -9.038
  132    HG2  ARG  15           2HG      ARG  15  -5.855 -11.349 -10.720
  133    HG3  ARG  15           3HG      ARG  15  -4.958 -12.824 -11.087
  134    HD2  ARG  15           2HD      ARG  15  -7.275 -13.379 -11.064
  135    HD3  ARG  15           3HD      ARG  15  -6.550 -14.060  -9.608
  136    HE   ARG  15           HE       ARG  15  -7.517 -11.583  -8.885
  137   HH11  ARG  15          1HH1      ARG  15  -8.825 -14.540 -10.177
  138   HH12  ARG  15          2HH1      ARG  15 -10.378 -14.328  -9.438
  139   HH21  ARG  15          1HH2      ARG  15  -9.558 -11.293  -7.908
  140   HH22  ARG  15          2HH2      ARG  15 -10.794 -12.481  -8.149
  141    H    LYS  16           H        LYS  16  -3.334 -14.374 -11.146
  142    HA   LYS  16           HA       LYS  16  -5.230 -16.391 -10.866
  143    HB2  LYS  16           2HB      LYS  16  -4.242 -17.422 -12.754
  144    HB3  LYS  16           3HB      LYS  16  -3.987 -15.695 -12.968
  145    HG2  LYS  16           2HG      LYS  16  -1.883 -16.304 -13.426
  146    HG3  LYS  16           3HG      LYS  16  -1.715 -16.381 -11.670
  147    HD2  LYS  16           2HD      LYS  16  -0.881 -18.436 -12.325
  148    HD3  LYS  16           3HD      LYS  16  -2.565 -18.824 -11.964
  149    HE2  LYS  16           2HE      LYS  16  -2.965 -19.424 -14.073
  150    HE3  LYS  16           3HE      LYS  16  -2.226 -17.953 -14.705
  151    HZ1  LYS  16           3HZ      LYS  16  -1.222 -20.377 -15.097
  152    HZ2  LYS  16           1HZ      LYS  16  -0.394 -19.962 -13.682
  153    HZ3  LYS  16           2HZ      LYS  16  -0.269 -18.980 -15.053
  154    H    LEU  17           H        LEU  17  -2.063 -16.106  -9.512
  155    HA   LEU  17           HA       LEU  17  -2.010 -18.926  -8.741
  156    HB2  LEU  17           2HB      LEU  17   0.244 -18.667  -8.256
  157    HB3  LEU  17           3HB      LEU  17   0.001 -17.638  -9.666
  158    HG   LEU  17           HG       LEU  17  -0.324 -15.796  -7.766
  159   HD11  LEU  17          1HD1      LEU  17   0.016 -16.841  -5.778
  160   HD12  LEU  17          2HD1      LEU  17   1.688 -16.430  -6.157
  161   HD13  LEU  17          3HD1      LEU  17   1.088 -18.059  -6.470
  162   HD21  LEU  17          3HD2      LEU  17   1.720 -16.588  -9.555
  163   HD22  LEU  17          1HD2      LEU  17   2.491 -16.126  -8.037
  164   HD23  LEU  17          2HD2      LEU  17   1.425 -14.991  -8.865
  165    H    THR  18           H        THR  18  -2.381 -15.717  -7.397
  166    HA   THR  18           HA       THR  18  -2.045 -16.290  -4.683
  167    HB   THR  18           HB       THR  18  -3.339 -14.286  -4.219
  168    HG1  THR  18           HG1      THR  18  -4.687 -13.411  -5.675
  169   HG21  THR  18          3HG2      THR  18  -2.179 -12.708  -5.881
  170   HG22  THR  18          1HG2      THR  18  -1.469 -14.168  -6.569
  171   HG23  THR  18          2HG2      THR  18  -1.157 -13.744  -4.886
  172    H    HIS  19           H        HIS  19  -4.847 -16.659  -6.787
  173    HA   HIS  19           HA       HIS  19  -6.761 -17.196  -4.799
  174    HB2  HIS  19           2HB      HIS  19  -6.876 -16.869  -7.479
  175    HB3  HIS  19           3HB      HIS  19  -7.038 -18.620  -7.381
  176    HD1  HIS  19           HD1      HIS  19  -9.412 -19.266  -7.424
  177    HD2  HIS  19           HD2      HIS  19  -8.834 -15.696  -5.379
  178    HE1  HIS  19           HE1      HIS  19 -11.695 -18.563  -6.639
  179    H    ARG  20           H        ARG  20  -4.185 -19.089  -6.063
  180    HA   ARG  20           HA       ARG  20  -5.302 -21.532  -4.871
  181    HB2  ARG  20           2HB      ARG  20  -2.958 -21.224  -6.756
  182    HB3  ARG  20           3HB      ARG  20  -3.617 -22.745  -6.168
  183    HG2  ARG  20           2HG      ARG  20  -5.393 -22.680  -7.572
  184    HG3  ARG  20           3HG      ARG  20  -5.489 -20.918  -7.546
  185    HD2  ARG  20           2HD      ARG  20  -3.296 -20.971  -8.869
  186    HD3  ARG  20           3HD      ARG  20  -3.652 -22.677  -9.140
  187    HE   ARG  20           HE       ARG  20  -5.909 -21.172  -9.835
  188   HH11  ARG  20          1HH1      ARG  20  -2.645 -21.727 -10.910
  189   HH12  ARG  20          2HH1      ARG  20  -2.999 -21.399 -12.574
  190   HH21  ARG  20          1HH2      ARG  20  -6.388 -20.738 -12.023
  191   HH22  ARG  20          2HH2      ARG  20  -5.128 -20.836 -13.206
  192    H    LEU  21           H        LEU  21  -3.014 -19.075  -4.376
  193    HA   LEU  21           HA       LEU  21  -1.278 -20.690  -2.691
  194    HB2  LEU  21           2HB      LEU  21   0.031 -19.173  -3.779
  195    HB3  LEU  21           3HB      LEU  21  -1.226 -17.938  -3.795
  196    HG   LEU  21           HG       LEU  21  -0.779 -17.471  -1.424
  197   HD11  LEU  21          1HD1      LEU  21   1.772 -18.752  -1.206
  198   HD12  LEU  21          2HD1      LEU  21   0.522 -19.958  -1.507
  199   HD13  LEU  21          3HD1      LEU  21   0.373 -18.859  -0.137
  200   HD21  LEU  21          3HD2      LEU  21   0.366 -16.196  -3.175
  201   HD22  LEU  21          1HD2      LEU  21   1.686 -17.366  -3.160
  202   HD23  LEU  21          2HD2      LEU  21   1.371 -16.375  -1.736
  203    H    PHE  22           H        PHE  22  -3.780 -18.247  -2.403
  204    HA   PHE  22           HA       PHE  22  -3.445 -18.036   0.469
  205    HB2  PHE  22           2HB      PHE  22  -5.226 -16.726  -1.557
  206    HB3  PHE  22           3HB      PHE  22  -5.628 -16.632   0.155
  207    HD1  PHE  22           HD1      PHE  22  -4.096 -15.500   1.723
  208    HD2  PHE  22           HD2      PHE  22  -3.450 -15.457  -2.484
  209    HE1  PHE  22           HE1      PHE  22  -2.545 -13.608   1.984
  210    HE2  PHE  22           HE2      PHE  22  -1.897 -13.566  -2.230
  211    HZ   PHE  22           HZ       PHE  22  -1.442 -12.639   0.006
  212    H    ARG  23           H        ARG  23  -5.393 -19.773  -1.808
  213    HA   ARG  23           HA       ARG  23  -7.223 -20.667   0.295
  214    HB2  ARG  23           2HB      ARG  23  -7.274 -21.087  -2.699
  215    HB3  ARG  23           3HB      ARG  23  -8.474 -21.724  -1.582
  216    HG2  ARG  23           2HG      ARG  23  -9.250 -19.560  -1.032
  217    HG3  ARG  23           3HG      ARG  23  -7.875 -18.791  -1.828
  218    HD2  ARG  23           2HD      ARG  23  -8.895 -18.826  -3.810
  219    HD3  ARG  23           3HD      ARG  23  -9.328 -20.526  -3.633
  220    HE   ARG  23           HE       ARG  23 -11.428 -19.875  -3.025
  221   HH11  ARG  23          1HH1      ARG  23  -9.262 -17.180  -2.621
  222   HH12  ARG  23          2HH1      ARG  23 -10.523 -16.056  -2.235
  223   HH21  ARG  23          1HH2      ARG  23 -13.097 -18.405  -2.518
  224   HH22  ARG  23          2HH2      ARG  23 -12.704 -16.755  -2.175
  225    H    ARG  24           H        ARG  24  -4.649 -21.784  -1.780
  226    HA   ARG  24           HA       ARG  24  -3.455 -23.718  -1.852
  227    HB2  ARG  24           2HB      ARG  24  -4.255 -23.380   0.912
  228    HB3  ARG  24           3HB      ARG  24  -4.103 -25.083   0.501
  229    HG2  ARG  24           2HG      ARG  24  -1.904 -24.946   0.668
  230    HG3  ARG  24           3HG      ARG  24  -1.867 -23.694  -0.576
  231    HD2  ARG  24           2HD      ARG  24  -0.984 -22.476   1.116
  232    HD3  ARG  24           3HD      ARG  24  -2.686 -22.214   1.494
  233    HE   ARG  24           HE       ARG  24  -1.629 -24.536   2.780
  234   HH11  ARG  24          1HH1      ARG  24  -1.851 -21.067   2.967
  235   HH12  ARG  24          2HH1      ARG  24  -1.650 -21.016   4.687
  236   HH21  ARG  24          1HH2      ARG  24  -1.363 -24.483   5.045
  237   HH22  ARG  24          2HH2      ARG  24  -1.371 -22.960   5.868
  Start of MODEL    8
    1    H1   TRP   1           H        TRP   1   2.493  -0.267   0.889
    2    HA   TRP   1           HA       TRP   1   3.907  -0.440  -0.921
    3    HB2  TRP   1           2HB      TRP   1   2.182  -2.456  -1.491
    4    HB3  TRP   1           3HB      TRP   1   1.867  -1.374  -2.844
    5    HD1  TRP   1           HD1      TRP   1   3.171  -2.278  -4.849
    6    HE1  TRP   1           HE1      TRP   1   5.563  -3.134  -5.261
    7    HE3  TRP   1           HE3      TRP   1   4.931  -2.112  -0.052
    8    HZ2  TRP   1           HZ2      TRP   1   7.888  -3.669  -3.753
    9    HZ3  TRP   1           HZ3      TRP   1   7.250  -2.814   0.379
   10    HH2  TRP   1           HH2      TRP   1   8.696  -3.576  -1.435
   11    H    TRP   2           H        TRP   2   4.345   1.578  -1.517
   12    HA   TRP   2           HA       TRP   2   2.273   3.333  -2.515
   13    HB2  TRP   2           2HB      TRP   2   3.625   4.998  -1.839
   14    HB3  TRP   2           3HB      TRP   2   4.597   3.738  -1.085
   15    HD1  TRP   2           HD1      TRP   2   6.988   3.326  -2.043
   16    HE1  TRP   2           HE1      TRP   2   8.390   4.434  -3.895
   17    HE3  TRP   2           HE3      TRP   2   3.341   6.159  -4.234
   18    HZ2  TRP   2           HZ2      TRP   2   8.001   6.267  -6.006
   19    HZ3  TRP   2           HZ3      TRP   2   3.938   7.563  -6.165
   20    HH2  TRP   2           HH2      TRP   2   6.221   7.615  -7.031
   21    H    TRP   3           H        TRP   3   4.978   1.508  -3.772
   22    HA   TRP   3           HA       TRP   3   4.752   2.736  -6.398
   23    HB2  TRP   3           2HB      TRP   3   6.868   1.640  -5.029
   24    HB3  TRP   3           3HB      TRP   3   6.449   0.354  -6.157
   25    HD1  TRP   3           HD1      TRP   3   6.298   4.135  -6.934
   26    HE1  TRP   3           HE1      TRP   3   7.901   4.614  -8.890
   27    HE3  TRP   3           HE3      TRP   3   8.382  -0.507  -7.431
   28    HZ2  TRP   3           HZ2      TRP   3   9.797   3.210 -10.439
   29    HZ3  TRP   3           HZ3      TRP   3  10.082  -0.855  -9.175
   30    HH2  TRP   3           HH2      TRP   3  10.773   0.965 -10.647
   31    H    LYS   4           H        LYS   4   2.536   1.158  -5.248
   32    HA   LYS   4           HA       LYS   4   2.354  -1.382  -6.427
   33    HB2  LYS   4           2HB      LYS   4   0.853  -0.450  -4.635
   34    HB3  LYS   4           3HB      LYS   4   0.056   0.501  -5.882
   35    HG2  LYS   4           2HG      LYS   4  -1.073  -1.267  -6.697
   36    HG3  LYS   4           3HG      LYS   4   0.263  -2.386  -6.418
   37    HD2  LYS   4           2HD      LYS   4  -1.339  -3.110  -4.902
   38    HD3  LYS   4           3HD      LYS   4  -0.312  -2.069  -3.913
   39    HE2  LYS   4           2HE      LYS   4  -2.607  -1.567  -3.426
   40    HE3  LYS   4           3HE      LYS   4  -1.911  -0.210  -4.311
   41    HZ1  LYS   4           3HZ      LYS   4  -3.057  -0.795  -6.242
   42    HZ2  LYS   4           1HZ      LYS   4  -4.199  -1.007  -5.012
   43    HZ3  LYS   4           2HZ      LYS   4  -3.421  -2.350  -5.684
   44    H    TYR   5           H        TYR   5   2.249   1.725  -7.817
   45    HA   TYR   5           HA       TYR   5   0.529   1.358  -9.986
   46    HB2  TYR   5           2HB      TYR   5   3.083   2.975 -10.009
   47    HB3  TYR   5           3HB      TYR   5   1.663   3.217 -11.021
   48    HD1  TYR   5           HD2      TYR   5  -0.509   3.008  -9.031
   49    HD2  TYR   5           HD1      TYR   5   3.268   4.951  -8.784
   50    HE1  TYR   5           HE2      TYR   5  -1.429   4.573  -7.372
   51    HE2  TYR   5           HE1      TYR   5   2.359   6.521  -7.124
   52    HH   TYR   5           HH       TYR   5  -0.033   7.416  -6.553
   53    H    GLU   6           H        GLU   6   3.788   0.250  -9.436
   54    HA   GLU   6           HA       GLU   6   4.116  -0.603 -12.198
   55    HB2  GLU   6           2HB      GLU   6   6.027  -1.344 -10.021
   56    HB3  GLU   6           3HB      GLU   6   6.349  -0.977 -11.710
   57    HG2  GLU   6           2HG      GLU   6   5.571   1.023  -9.599
   58    HG3  GLU   6           3HG      GLU   6   7.199   0.756 -10.220
   59    H    ILE   7           H        ILE   7   2.455  -1.768  -9.664
   60    HA   ILE   7           HA       ILE   7   3.146  -4.580 -10.135
   61    HB   ILE   7           HB       ILE   7   1.687  -3.175  -7.925
   62   HG12  ILE   7          2HG1      ILE   7   4.144  -3.527  -7.804
   63   HG13  ILE   7          3HG1      ILE   7   3.273  -4.359  -6.520
   64   HG21  ILE   7          1HG2      ILE   7   0.155  -4.863  -8.159
   65   HG22  ILE   7          2HG2      ILE   7   1.333  -5.988  -8.833
   66   HG23  ILE   7          3HG2      ILE   7   1.331  -5.644  -7.103
   67   HD11  ILE   7          3HD1      ILE   7   3.425  -6.445  -7.851
   68   HD12  ILE   7          1HD1      ILE   7   4.434  -5.580  -9.010
   69   HD13  ILE   7          2HD1      ILE   7   4.986  -5.797  -7.349
   70    H    THR   8           H        THR   8   0.467  -2.296 -10.286
   71    HA   THR   8           HA       THR   8  -1.672  -3.931 -10.792
   72    HB   THR   8           HB       THR   8  -2.740  -2.120 -11.905
   73    HG1  THR   8           HG1      THR   8  -1.673  -0.927 -13.281
   74   HG21  THR   8          3HG2      THR   8  -2.403  -0.308 -10.398
   75   HG22  THR   8          1HG2      THR   8  -0.741  -0.801 -10.073
   76   HG23  THR   8          2HG2      THR   8  -2.084  -1.786  -9.491
   77    H    THR   9           H        THR   9   1.000  -3.173 -12.904
   78    HA   THR   9           HA       THR   9  -0.032  -3.892 -15.377
   79    HB   THR   9           HB       THR   9   2.106  -2.940 -15.433
   80    HG1  THR   9           HG1      THR   9   1.940  -4.670 -16.924
   81   HG21  THR   9          3HG2      THR   9   2.504  -4.340 -13.025
   82   HG22  THR   9          1HG2      THR   9   3.584  -3.170 -13.782
   83   HG23  THR   9          2HG2      THR   9   3.762  -4.890 -14.131
   84    H    ILE  10           H        ILE  10   1.705  -5.977 -13.062
   85    HA   ILE  10           HA       ILE  10   0.900  -8.339 -14.560
   86    HB   ILE  10           HB       ILE  10   2.411  -9.578 -13.258
   87   HG12  ILE  10          2HG1      ILE  10   1.520  -8.421 -11.093
   88   HG13  ILE  10          3HG1      ILE  10   3.156  -9.070 -11.116
   89   HG21  ILE  10          1HG2      ILE  10   4.495  -8.114 -13.209
   90   HG22  ILE  10          2HG2      ILE  10   3.659  -8.268 -14.754
   91   HG23  ILE  10          3HG2      ILE  10   3.454  -6.811 -13.782
   92   HD11  ILE  10          3HD1      ILE  10   2.523  -6.607 -10.258
   93   HD12  ILE  10          1HD1      ILE  10   4.098  -7.043 -10.920
   94   HD13  ILE  10          2HD1      ILE  10   2.893  -6.264 -11.947
   95    H    HIS  11           H        HIS  11  -0.035  -6.561 -11.762
   96    HA   HIS  11           HA       HIS  11  -1.228  -8.503 -10.180
   97    HB2  HIS  11           2HB      HIS  11  -0.959  -6.126  -9.531
   98    HB3  HIS  11           3HB      HIS  11  -2.235  -5.690 -10.664
   99    HD1  HIS  11           HD1      HIS  11  -2.330  -8.614  -8.263
  100    HD2  HIS  11           HD2      HIS  11  -4.167  -4.938  -8.878
  101    HE1  HIS  11           HE1      HIS  11  -4.224  -8.524  -6.611
  102    H    ASN  12           H        ASN  12  -2.138  -7.368 -13.281
  103    HA   ASN  12           HA       ASN  12  -4.915  -8.044 -13.117
  104    HB2  ASN  12           2HB      ASN  12  -3.039  -7.201 -15.279
  105    HB3  ASN  12           3HB      ASN  12  -4.542  -7.991 -15.749
  106   HD21  ASN  12          1HD2      ASN  12  -3.380  -5.147 -15.816
  107   HD22  ASN  12          2HD2      ASN  12  -4.689  -4.174 -15.245
  108    H    LEU  13           H        LEU  13  -2.032  -9.811 -13.568
  109    HA   LEU  13           HA       LEU  13  -3.576 -12.145 -14.492
  110    HB2  LEU  13           2HB      LEU  13  -1.768 -12.911 -15.728
  111    HB3  LEU  13           3HB      LEU  13  -1.769 -11.173 -16.023
  112    HG   LEU  13           HG       LEU  13  -0.064 -11.441 -13.875
  113   HD11  LEU  13          1HD1      LEU  13   0.158 -13.830 -15.673
  114   HD12  LEU  13          2HD1      LEU  13   0.156 -13.764 -13.911
  115   HD13  LEU  13          3HD1      LEU  13   1.557 -13.186 -14.813
  116   HD21  LEU  13          3HD2      LEU  13   0.038 -10.149 -16.123
  117   HD22  LEU  13          1HD2      LEU  13   0.945 -11.552 -16.687
  118   HD23  LEU  13          2HD2      LEU  13   1.540 -10.610 -15.320
  119    H    PHE  14           H        PHE  14  -1.543 -10.813 -12.077
  120    HA   PHE  14           HA       PHE  14  -0.661 -13.301 -10.955
  121    HB2  PHE  14           2HB      PHE  14  -0.270 -10.462 -10.430
  122    HB3  PHE  14           3HB      PHE  14  -0.458 -11.394  -8.948
  123    HD1  PHE  14           HD2      PHE  14   1.113 -13.224  -8.432
  124    HD2  PHE  14           HD1      PHE  14   1.677 -10.647 -11.772
  125    HE1  PHE  14           HE2      PHE  14   3.460 -13.946  -8.588
  126    HE2  PHE  14           HE1      PHE  14   4.025 -11.365 -11.934
  127    HZ   PHE  14           HZ       PHE  14   4.919 -13.016 -10.340
  128    H    ARG  15           H        ARG  15  -3.444 -11.267 -10.636
  129    HA   ARG  15           HA       ARG  15  -4.370 -11.969  -8.110
  130    HB2  ARG  15           2HB      ARG  15  -6.635 -11.445  -9.005
  131    HB3  ARG  15           3HB      ARG  15  -5.435 -10.208  -9.356
  132    HG2  ARG  15           2HG      ARG  15  -6.064 -10.319 -11.475
  133    HG3  ARG  15           3HG      ARG  15  -5.345 -11.929 -11.541
  134    HD2  ARG  15           2HD      ARG  15  -7.553 -12.799 -10.655
  135    HD3  ARG  15           3HD      ARG  15  -8.206 -11.192 -10.975
  136    HE   ARG  15           HE       ARG  15  -6.922 -12.208 -13.280
  137   HH11  ARG  15          1HH1      ARG  15  -9.803 -12.583 -11.363
  138   HH12  ARG  15          2HH1      ARG  15 -10.769 -13.141 -12.688
  139   HH21  ARG  15          1HH2      ARG  15  -8.183 -12.942 -15.033
  140   HH22  ARG  15          2HH2      ARG  15  -9.847 -13.346 -14.775
  141    H    LYS  16           H        LYS  16  -4.281 -13.801 -11.048
  142    HA   LYS  16           HA       LYS  16  -6.238 -15.744 -10.295
  143    HB2  LYS  16           2HB      LYS  16  -5.617 -15.301 -12.649
  144    HB3  LYS  16           3HB      LYS  16  -4.013 -15.949 -12.333
  145    HG2  LYS  16           2HG      LYS  16  -5.844 -17.906 -11.483
  146    HG3  LYS  16           3HG      LYS  16  -6.409 -17.326 -13.052
  147    HD2  LYS  16           2HD      LYS  16  -4.309 -17.830 -14.074
  148    HD3  LYS  16           3HD      LYS  16  -3.567 -18.171 -12.509
  149    HE2  LYS  16           2HE      LYS  16  -5.733 -19.870 -12.561
  150    HE3  LYS  16           3HE      LYS  16  -5.178 -19.882 -14.234
  151    HZ1  LYS  16           3HZ      LYS  16  -4.166 -21.459 -12.370
  152    HZ2  LYS  16           1HZ      LYS  16  -3.128 -20.136 -12.184
  153    HZ3  LYS  16           2HZ      LYS  16  -3.258 -20.904 -13.686
  154    H    LEU  17           H        LEU  17  -2.861 -15.291  -9.678
  155    HA   LEU  17           HA       LEU  17  -2.435 -18.025  -8.823
  156    HB2  LEU  17           2HB      LEU  17  -0.616 -16.867  -9.901
  157    HB3  LEU  17           3HB      LEU  17  -0.687 -15.573  -8.707
  158    HG   LEU  17           HG       LEU  17  -0.197 -17.649  -7.079
  159   HD11  LEU  17          1HD1      LEU  17   1.799 -18.660  -8.699
  160   HD12  LEU  17          2HD1      LEU  17   0.388 -18.603  -9.754
  161   HD13  LEU  17          3HD1      LEU  17   0.313 -19.485  -8.229
  162   HD21  LEU  17          3HD2      LEU  17   2.149 -16.516  -8.517
  163   HD22  LEU  17          1HD2      LEU  17   1.869 -16.713  -6.787
  164   HD23  LEU  17          2HD2      LEU  17   1.066 -15.413  -7.668
  165    H    THR  18           H        THR  18  -3.068 -14.892  -7.399
  166    HA   THR  18           HA       THR  18  -2.370 -15.368  -4.753
  167    HB   THR  18           HB       THR  18  -3.940 -13.621  -4.130
  168    HG1  THR  18           HG1      THR  18  -4.893 -13.392  -6.760
  169   HG21  THR  18          3HG2      THR  18  -3.279 -11.885  -5.902
  170   HG22  THR  18          1HG2      THR  18  -2.407 -13.205  -6.681
  171   HG23  THR  18          2HG2      THR  18  -1.979 -12.711  -5.043
  172    H    HIS  19           H        HIS  19  -5.282 -16.267  -6.520
  173    HA   HIS  19           HA       HIS  19  -6.813 -17.116  -4.312
  174    HB2  HIS  19           2HB      HIS  19  -7.483 -16.728  -6.812
  175    HB3  HIS  19           3HB      HIS  19  -7.053 -18.425  -6.999
  176    HD1  HIS  19           HD1      HIS  19  -9.176 -16.458  -4.513
  177    HD2  HIS  19           HD2      HIS  19  -9.245 -19.965  -6.739
  178    HE1  HIS  19           HE1      HIS  19 -11.381 -17.546  -3.985
  179    H    ARG  20           H        ARG  20  -4.052 -18.453  -5.771
  180    HA   ARG  20           HA       ARG  20  -4.592 -21.081  -4.558
  181    HB2  ARG  20           2HB      ARG  20  -2.584 -20.380  -6.707
  182    HB3  ARG  20           3HB      ARG  20  -2.909 -21.989  -6.077
  183    HG2  ARG  20           2HG      ARG  20  -4.707 -22.262  -7.375
  184    HG3  ARG  20           3HG      ARG  20  -5.280 -20.617  -7.092
  185    HD2  ARG  20           2HD      ARG  20  -4.743 -20.344  -9.265
  186    HD3  ARG  20           3HD      ARG  20  -3.120 -20.110  -8.617
  187    HE   ARG  20           HE       ARG  20  -2.491 -22.105  -9.556
  188   HH11  ARG  20          1HH1      ARG  20  -5.964 -21.870  -9.564
  189   HH12  ARG  20          2HH1      ARG  20  -6.187 -23.277 -10.551
  190   HH21  ARG  20          1HH2      ARG  20  -2.771 -23.959 -10.855
  191   HH22  ARG  20          2HH2      ARG  20  -4.370 -24.465 -11.283
  192    H    LEU  21           H        LEU  21  -2.707 -18.256  -4.344
  193    HA   LEU  21           HA       LEU  21  -0.548 -19.539  -2.870
  194    HB2  LEU  21           2HB      LEU  21   0.379 -17.886  -4.140
  195    HB3  LEU  21           3HB      LEU  21  -1.041 -16.850  -4.021
  196    HG   LEU  21           HG       LEU  21  -0.386 -16.240  -1.732
  197   HD11  LEU  21          1HD1      LEU  21   2.319 -17.052  -1.712
  198   HD12  LEU  21          2HD1      LEU  21   1.340 -18.487  -2.018
  199   HD13  LEU  21          3HD1      LEU  21   1.033 -17.499  -0.590
  200   HD21  LEU  21          3HD2      LEU  21   0.519 -15.177  -3.977
  201   HD22  LEU  21          1HD2      LEU  21   2.061 -15.755  -3.346
  202   HD23  LEU  21          2HD2      LEU  21   1.087 -14.631  -2.399
  203    H    PHE  22           H        PHE  22  -3.338 -17.484  -2.322
  204    HA   PHE  22           HA       PHE  22  -2.733 -16.880   0.396
  205    HB2  PHE  22           2HB      PHE  22  -5.041 -16.499  -1.428
  206    HB3  PHE  22           3HB      PHE  22  -5.399 -16.514   0.295
  207    HD1  PHE  22           HD2      PHE  22  -3.666 -14.753  -2.404
  208    HD2  PHE  22           HD1      PHE  22  -4.630 -14.753   1.742
  209    HE1  PHE  22           HE2      PHE  22  -2.956 -12.403  -2.242
  210    HE2  PHE  22           HE1      PHE  22  -3.922 -12.402   1.910
  211    HZ   PHE  22           HZ       PHE  22  -3.083 -11.224  -0.084
  212    H    ARG  23           H        ARG  23  -5.567 -18.693  -0.753
  213    HA   ARG  23           HA       ARG  23  -5.474 -20.306   1.672
  214    HB2  ARG  23           2HB      ARG  23  -7.699 -21.125   0.902
  215    HB3  ARG  23           3HB      ARG  23  -7.625 -19.382   1.121
  216    HG2  ARG  23           2HG      ARG  23  -8.391 -19.121  -0.935
  217    HG3  ARG  23           3HG      ARG  23  -6.927 -19.886  -1.557
  218    HD2  ARG  23           2HD      ARG  23  -8.474 -21.303  -2.440
  219    HD3  ARG  23           3HD      ARG  23  -8.242 -22.085  -0.876
  220    HE   ARG  23           HE       ARG  23 -10.285 -20.246  -0.550
  221   HH11  ARG  23          1HH1      ARG  23  -9.676 -23.107  -2.439
  222   HH12  ARG  23          2HH1      ARG  23 -11.344 -23.571  -2.512
  223   HH21  ARG  23          1HH2      ARG  23 -12.484 -20.847  -0.640
  224   HH22  ARG  23          2HH2      ARG  23 -12.940 -22.285  -1.490
  225    H    ARG  24           H        ARG  24  -3.366 -20.886   0.024
  226    HA   ARG  24           HA       ARG  24  -3.666 -22.831  -1.910
  227    HB2  ARG  24           2HB      ARG  24  -1.384 -23.474  -1.461
  228    HB3  ARG  24           3HB      ARG  24  -1.525 -21.729  -1.297
  229    HG2  ARG  24           2HG      ARG  24  -0.306 -22.164   0.561
  230    HG3  ARG  24           3HG      ARG  24  -1.920 -22.377   1.242
  231    HD2  ARG  24           2HD      ARG  24  -1.500 -24.509   1.709
  232    HD3  ARG  24           3HD      ARG  24  -1.024 -24.825   0.041
  233    HE   ARG  24           HE       ARG  24   1.116 -23.545   1.223
  234   HH11  ARG  24          1HH1      ARG  24  -0.679 -26.488   1.709
  235   HH12  ARG  24          2HH1      ARG  24   0.669 -27.356   2.364
  236   HH21  ARG  24          1HH2      ARG  24   2.899 -24.678   2.084
  237   HH22  ARG  24          2HH2      ARG  24   2.704 -26.326   2.577
  Start of MODEL    9
    1    H1   TRP   1           H        TRP   1   2.010  -0.660   1.028
    2    HA   TRP   1           HA       TRP   1   3.254  -0.464  -0.865
    3    HB2  TRP   1           2HB      TRP   1   1.665  -2.651  -1.252
    4    HB3  TRP   1           3HB      TRP   1   1.261  -1.676  -2.663
    5    HD1  TRP   1           HD1      TRP   1   2.629  -2.519  -4.645
    6    HE1  TRP   1           HE1      TRP   1   5.062  -3.262  -5.033
    7    HE3  TRP   1           HE3      TRP   1   4.365  -2.149   0.149
    8    HZ2  TRP   1           HZ2      TRP   1   7.407  -3.642  -3.509
    9    HZ3  TRP   1           HZ3      TRP   1   6.715  -2.721   0.600
   10    HH2  TRP   1           HH2      TRP   1   8.203  -3.452  -1.193
   11    H    TRP   2           H        TRP   2   3.451   1.570  -1.542
   12    HA   TRP   2           HA       TRP   2   1.157   2.970  -2.668
   13    HB2  TRP   2           2HB      TRP   2   2.109   4.742  -1.696
   14    HB3  TRP   2           3HB      TRP   2   3.470   3.742  -1.198
   15    HD1  TRP   2           HD1      TRP   2   2.522   6.485  -3.589
   16    HE1  TRP   2           HE1      TRP   2   4.584   7.185  -4.960
   17    HE3  TRP   2           HE3      TRP   2   5.695   2.699  -2.272
   18    HZ2  TRP   2           HZ2      TRP   2   7.209   6.255  -5.423
   19    HZ3  TRP   2           HZ3      TRP   2   7.964   2.677  -3.224
   20    HH2  TRP   2           HH2      TRP   2   8.703   4.419  -4.767
   21    H    TRP   3           H        TRP   3   4.071   1.413  -3.676
   22    HA   TRP   3           HA       TRP   3   4.073   2.670  -6.293
   23    HB2  TRP   3           2HB      TRP   3   6.057   1.576  -4.744
   24    HB3  TRP   3           3HB      TRP   3   5.763   0.296  -5.917
   25    HD1  TRP   3           HD1      TRP   3   5.658   4.087  -6.665
   26    HE1  TRP   3           HE1      TRP   3   7.433   4.597  -8.458
   27    HE3  TRP   3           HE3      TRP   3   7.805  -0.539  -7.020
   28    HZ2  TRP   3           HZ2      TRP   3   9.473   3.220  -9.840
   29    HZ3  TRP   3           HZ3      TRP   3   9.663  -0.859  -8.602
   30    HH2  TRP   3           HH2      TRP   3  10.477   0.983  -9.982
   31    H    LYS   4           H        LYS   4   1.847   0.893  -5.258
   32    HA   LYS   4           HA       LYS   4   1.813  -1.562  -6.575
   33    HB2  LYS   4           2HB      LYS   4   0.152  -0.600  -4.861
   34    HB3  LYS   4           3HB      LYS   4  -0.639   0.154  -6.239
   35    HG2  LYS   4           2HG      LYS   4  -1.482  -1.800  -7.002
   36    HG3  LYS   4           3HG      LYS   4  -0.093  -2.741  -6.454
   37    HD2  LYS   4           2HD      LYS   4  -1.040  -2.103  -4.074
   38    HD3  LYS   4           3HD      LYS   4  -2.548  -1.929  -4.976
   39    HE2  LYS   4           2HE      LYS   4  -1.409  -4.324  -5.866
   40    HE3  LYS   4           3HE      LYS   4  -1.187  -4.319  -4.117
   41    HZ1  LYS   4           3HZ      LYS   4  -3.492  -4.100  -3.774
   42    HZ2  LYS   4           1HZ      LYS   4  -3.324  -5.303  -4.953
   43    HZ3  LYS   4           2HZ      LYS   4  -3.794  -3.741  -5.400
   44    H    TYR   5           H        TYR   5   1.607   1.615  -7.838
   45    HA   TYR   5           HA       TYR   5   0.094   1.233 -10.149
   46    HB2  TYR   5           2HB      TYR   5   2.525   3.013  -9.952
   47    HB3  TYR   5           3HB      TYR   5   1.125   3.221 -10.999
   48    HD1  TYR   5           HD2      TYR   5  -1.140   2.900  -9.242
   49    HD2  TYR   5           HD1      TYR   5   2.594   4.788  -8.473
   50    HE1  TYR   5           HE2      TYR   5  -2.211   4.309  -7.535
   51    HE2  TYR   5           HE1      TYR   5   1.534   6.202  -6.763
   52    HH   TYR   5           HH       TYR   5  -0.354   6.746  -5.734
   53    H    GLU   6           H        GLU   6   3.314   0.221  -9.361
   54    HA   GLU   6           HA       GLU   6   3.912  -0.462 -12.136
   55    HB2  GLU   6           2HB      GLU   6   5.707  -1.059  -9.805
   56    HB3  GLU   6           3HB      GLU   6   6.139  -0.763 -11.483
   57    HG2  GLU   6           2HG      GLU   6   5.077   1.303  -9.569
   58    HG3  GLU   6           3HG      GLU   6   6.770   1.088 -10.011
   59    H    ILE   7           H        ILE   7   2.339  -1.840  -9.574
   60    HA   ILE   7           HA       ILE   7   3.174  -4.573 -10.245
   61    HB   ILE   7           HB       ILE   7   1.750  -3.401  -7.878
   62   HG12  ILE   7          2HG1      ILE   7   4.229  -3.544  -7.904
   63   HG13  ILE   7          3HG1      ILE   7   3.507  -4.521  -6.631
   64   HG21  ILE   7          1HG2      ILE   7   0.353  -5.220  -8.238
   65   HG22  ILE   7          2HG2      ILE   7   1.659  -6.225  -8.863
   66   HG23  ILE   7          3HG2      ILE   7   1.569  -5.869  -7.139
   67   HD11  ILE   7          3HD1      ILE   7   3.759  -6.507  -8.092
   68   HD12  ILE   7          1HD1      ILE   7   4.621  -5.492  -9.248
   69   HD13  ILE   7          2HD1      ILE   7   5.287  -5.752  -7.636
   70    H    THR   8           H        THR   8   0.366  -2.450 -10.117
   71    HA   THR   8           HA       THR   8  -1.696  -4.197 -10.601
   72    HB   THR   8           HB       THR   8  -1.945  -1.736 -10.259
   73    HG1  THR   8           HG1      THR   8  -3.851  -1.754 -11.308
   74   HG21  THR   8          3HG2      THR   8  -1.643  -0.190 -12.008
   75   HG22  THR   8          1HG2      THR   8  -1.477  -1.462 -13.217
   76   HG23  THR   8          2HG2      THR   8  -0.193  -1.192 -12.039
   77    H    THR   9           H        THR   9   0.852  -3.242 -12.744
   78    HA   THR   9           HA       THR   9  -0.282  -3.786 -15.230
   79    HB   THR   9           HB       THR   9   1.827  -2.753 -15.283
   80    HG1  THR   9           HG1      THR   9   1.502  -4.542 -16.834
   81   HG21  THR   9          3HG2      THR   9   2.379  -4.358 -13.041
   82   HG22  THR   9          1HG2      THR   9   3.395  -3.097 -13.737
   83   HG23  THR   9          2HG2      THR   9   3.590  -4.772 -14.254
   84    H    ILE  10           H        ILE  10   1.536  -5.969 -13.081
   85    HA   ILE  10           HA       ILE  10   0.714  -8.245 -14.723
   86    HB   ILE  10           HB       ILE  10   2.371  -9.528 -13.661
   87   HG12  ILE  10          2HG1      ILE  10   1.684  -8.572 -11.344
   88   HG13  ILE  10          3HG1      ILE  10   3.341  -9.118 -11.578
   89   HG21  ILE  10          1HG2      ILE  10   4.412  -7.972 -13.688
   90   HG22  ILE  10          2HG2      ILE  10   3.468  -8.128 -15.168
   91   HG23  ILE  10          3HG2      ILE  10   3.268  -6.709 -14.141
   92   HD11  ILE  10          3HD1      ILE  10   4.174  -7.083 -11.232
   93   HD12  ILE  10          1HD1      ILE  10   2.940  -6.304 -12.222
   94   HD13  ILE  10          2HD1      ILE  10   2.594  -6.712 -10.541
   95    H    HIS  11           H        HIS  11   0.007  -6.691 -11.735
   96    HA   HIS  11           HA       HIS  11  -0.979  -8.776 -10.188
   97    HB2  HIS  11           2HB      HIS  11  -0.698  -6.447  -9.393
   98    HB3  HIS  11           3HB      HIS  11  -2.086  -5.965 -10.365
   99    HD1  HIS  11           HD1      HIS  11  -2.273  -9.197  -8.536
  100    HD2  HIS  11           HD2      HIS  11  -3.471  -5.254  -8.007
  101    HE1  HIS  11           HE1      HIS  11  -3.904  -9.241  -6.623
  102    H    ASN  12           H        ASN  12  -2.208  -7.456 -13.098
  103    HA   ASN  12           HA       ASN  12  -4.942  -8.231 -12.714
  104    HB2  ASN  12           2HB      ASN  12  -3.318  -7.146 -14.969
  105    HB3  ASN  12           3HB      ASN  12  -4.835  -7.952 -15.357
  106   HD21  ASN  12          1HD2      ASN  12  -3.688  -5.701 -12.860
  107   HD22  ASN  12          2HD2      ASN  12  -4.995  -4.584 -13.029
  108    H    LEU  13           H        LEU  13  -2.075  -9.859 -13.565
  109    HA   LEU  13           HA       LEU  13  -3.639 -12.164 -14.529
  110    HB2  LEU  13           2HB      LEU  13  -1.937 -12.772 -15.993
  111    HB3  LEU  13           3HB      LEU  13  -2.049 -11.021 -16.165
  112    HG   LEU  13           HG       LEU  13  -0.108 -11.405 -14.210
  113   HD11  LEU  13          1HD1      LEU  13  -0.077 -13.802 -14.858
  114   HD12  LEU  13          2HD1      LEU  13   1.457 -12.974 -15.128
  115   HD13  LEU  13          3HD1      LEU  13   0.388 -13.314 -16.488
  116   HD21  LEU  13          3HD2      LEU  13  -0.203  -9.725 -16.044
  117   HD22  LEU  13          1HD2      LEU  13   0.326 -10.981 -17.162
  118   HD23  LEU  13          2HD2      LEU  13   1.381 -10.475 -15.842
  119    H    PHE  14           H        PHE  14  -1.433 -10.949 -12.218
  120    HA   PHE  14           HA       PHE  14  -0.333 -13.471 -11.410
  121    HB2  PHE  14           2HB      PHE  14  -0.001 -10.677 -10.699
  122    HB3  PHE  14           3HB      PHE  14  -0.063 -11.700  -9.267
  123    HD1  PHE  14           HD1      PHE  14   1.592 -13.501  -8.962
  124    HD2  PHE  14           HD2      PHE  14   1.858 -10.719 -12.173
  125    HE1  PHE  14           HE1      PHE  14   3.944 -14.134  -9.311
  126    HE2  PHE  14           HE2      PHE  14   4.210 -11.349 -12.528
  127    HZ   PHE  14           HZ       PHE  14   5.256 -13.058 -11.097
  128    H    ARG  15           H        ARG  15  -3.131 -11.576 -10.589
  129    HA   ARG  15           HA       ARG  15  -3.777 -12.590  -8.088
  130    HB2  ARG  15           2HB      ARG  15  -6.064 -11.944  -8.561
  131    HB3  ARG  15           3HB      ARG  15  -4.966 -10.729  -9.200
  132    HG2  ARG  15           2HG      ARG  15  -6.266 -10.895 -11.021
  133    HG3  ARG  15           3HG      ARG  15  -5.249 -12.294 -11.371
  134    HD2  ARG  15           2HD      ARG  15  -6.904 -13.768 -10.946
  135    HD3  ARG  15           3HD      ARG  15  -7.552 -12.812  -9.614
  136    HE   ARG  15           HE       ARG  15  -8.425 -12.781 -12.331
  137   HH11  ARG  15          1HH1      ARG  15  -8.094 -10.835  -9.464
  138   HH12  ARG  15          2HH1      ARG  15  -9.381  -9.756  -9.890
  139   HH21  ARG  15          1HH2      ARG  15 -10.121 -11.368 -12.903
  140   HH22  ARG  15          2HH2      ARG  15 -10.534 -10.060 -11.846
  141    H    LYS  16           H        LYS  16  -4.136 -14.023 -11.258
  142    HA   LYS  16           HA       LYS  16  -5.929 -16.081 -10.640
  143    HB2  LYS  16           2HB      LYS  16  -5.160 -15.405 -12.936
  144    HB3  LYS  16           3HB      LYS  16  -3.646 -16.240 -12.614
  145    HG2  LYS  16           2HG      LYS  16  -5.529 -18.145 -12.014
  146    HG3  LYS  16           3HG      LYS  16  -6.240 -17.301 -13.393
  147    HD2  LYS  16           2HD      LYS  16  -3.562 -17.621 -14.072
  148    HD3  LYS  16           3HD      LYS  16  -4.008 -19.145 -13.300
  149    HE2  LYS  16           2HE      LYS  16  -5.995 -19.238 -14.808
  150    HE3  LYS  16           3HE      LYS  16  -5.366 -17.817 -15.642
  151    HZ1  LYS  16           3HZ      LYS  16  -4.013 -19.095 -16.818
  152    HZ2  LYS  16           1HZ      LYS  16  -4.743 -20.462 -16.140
  153    HZ3  LYS  16           2HZ      LYS  16  -3.359 -19.801 -15.426
  154    H    LEU  17           H        LEU  17  -2.573 -15.681  -9.897
  155    HA   LEU  17           HA       LEU  17  -2.284 -18.484  -9.123
  156    HB2  LEU  17           2HB      LEU  17  -0.432 -17.589 -10.331
  157    HB3  LEU  17           3HB      LEU  17  -0.341 -16.189  -9.264
  158    HG   LEU  17           HG       LEU  17  -0.002 -18.562  -7.709
  159   HD11  LEU  17          1HD1      LEU  17   1.690 -18.378 -10.190
  160   HD12  LEU  17          2HD1      LEU  17   0.729 -19.746  -9.628
  161   HD13  LEU  17          3HD1      LEU  17   2.178 -19.264  -8.746
  162   HD21  LEU  17          3HD2      LEU  17   0.805 -16.103  -7.459
  163   HD22  LEU  17          1HD2      LEU  17   2.185 -16.650  -8.411
  164   HD23  LEU  17          2HD2      LEU  17   1.819 -17.419  -6.867
  165    H    THR  18           H        THR  18  -2.502 -15.272  -7.740
  166    HA   THR  18           HA       THR  18  -1.689 -15.804  -5.128
  167    HB   THR  18           HB       THR  18  -2.970 -13.851  -4.450
  168    HG1  THR  18           HG1      THR  18  -4.637 -13.127  -5.586
  169   HG21  THR  18          3HG2      THR  18  -2.190 -12.249  -6.310
  170   HG22  THR  18          1HG2      THR  18  -1.528 -13.690  -7.079
  171   HG23  THR  18          2HG2      THR  18  -0.969 -13.210  -5.477
  172    H    HIS  19           H        HIS  19  -4.797 -16.317  -6.705
  173    HA   HIS  19           HA       HIS  19  -6.298 -16.920  -4.399
  174    HB2  HIS  19           2HB      HIS  19  -6.895 -16.615  -7.031
  175    HB3  HIS  19           3HB      HIS  19  -7.013 -18.365  -6.874
  176    HD1  HIS  19           HD1      HIS  19  -8.651 -19.148  -4.805
  177    HD2  HIS  19           HD2      HIS  19  -9.147 -15.303  -6.298
  178    HE1  HIS  19           HE1      HIS  19 -10.937 -18.423  -4.049
  179    H    ARG  20           H        ARG  20  -3.963 -18.730  -6.179
  180    HA   ARG  20           HA       ARG  20  -4.740 -21.212  -4.816
  181    HB2  ARG  20           2HB      ARG  20  -4.478 -21.420  -7.222
  182    HB3  ARG  20           3HB      ARG  20  -2.862 -20.732  -7.136
  183    HG2  ARG  20           2HG      ARG  20  -3.197 -23.067  -5.430
  184    HG3  ARG  20           3HG      ARG  20  -3.480 -23.402  -7.140
  185    HD2  ARG  20           2HD      ARG  20  -1.318 -23.097  -7.685
  186    HD3  ARG  20           3HD      ARG  20  -1.130 -21.734  -6.582
  187    HE   ARG  20           HE       ARG  20  -1.333 -24.261  -5.239
  188   HH11  ARG  20          1HH1      ARG  20   0.828 -22.048  -6.837
  189   HH12  ARG  20          2HH1      ARG  20   2.238 -22.623  -6.009
  190   HH21  ARG  20          1HH2      ARG  20   0.515 -25.027  -4.144
  191   HH22  ARG  20          2HH2      ARG  20   2.058 -24.318  -4.478
  192    H    LEU  21           H        LEU  21  -2.549 -18.653  -4.626
  193    HA   LEU  21           HA       LEU  21  -0.499 -20.232  -3.266
  194    HB2  LEU  21           2HB      LEU  21   0.584 -18.751  -4.635
  195    HB3  LEU  21           3HB      LEU  21  -0.641 -17.501  -4.431
  196    HG   LEU  21           HG       LEU  21   0.254 -17.061  -2.160
  197   HD11  LEU  21          1HD1      LEU  21   1.640 -18.487  -1.187
  198   HD12  LEU  21          2HD1      LEU  21   2.829 -18.217  -2.460
  199   HD13  LEU  21          3HD1      LEU  21   1.627 -19.495  -2.634
  200   HD21  LEU  21          3HD2      LEU  21   2.593 -16.277  -3.130
  201   HD22  LEU  21          1HD2      LEU  21   1.081 -15.498  -3.593
  202   HD23  LEU  21          2HD2      LEU  21   1.816 -16.696  -4.657
  203    H    PHE  22           H        PHE  22  -3.115 -18.071  -2.620
  204    HA   PHE  22           HA       PHE  22  -2.249 -17.637   0.136
  205    HB2  PHE  22           2HB      PHE  22  -4.310 -16.415  -1.646
  206    HB3  PHE  22           3HB      PHE  22  -4.564 -16.346   0.094
  207    HD1  PHE  22           HD1      PHE  22  -2.810 -15.264   1.532
  208    HD2  PHE  22           HD2      PHE  22  -2.816 -14.962  -2.714
  209    HE1  PHE  22           HE1      PHE  22  -1.323 -13.309   1.673
  210    HE2  PHE  22           HE2      PHE  22  -1.327 -13.008  -2.580
  211    HZ   PHE  22           HZ       PHE  22  -0.578 -12.179  -0.385
  212    H    ARG  23           H        ARG  23  -5.484 -18.283  -1.183
  213    HA   ARG  23           HA       ARG  23  -5.915 -20.178   1.017
  214    HB2  ARG  23           2HB      ARG  23  -8.278 -19.814   0.705
  215    HB3  ARG  23           3HB      ARG  23  -7.474 -18.253   0.810
  216    HG2  ARG  23           2HG      ARG  23  -7.601 -19.071  -1.926
  217    HG3  ARG  23           3HG      ARG  23  -9.205 -19.180  -1.197
  218    HD2  ARG  23           2HD      ARG  23  -7.719 -16.756  -0.492
  219    HD3  ARG  23           3HD      ARG  23  -8.085 -16.906  -2.211
  220    HE   ARG  23           HE       ARG  23 -10.375 -17.445  -0.617
  221   HH11  ARG  23          1HH1      ARG  23  -8.390 -14.858  -1.837
  222   HH12  ARG  23          2HH1      ARG  23  -9.666 -13.687  -1.802
  223   HH21  ARG  23          1HH2      ARG  23 -12.064 -15.913  -0.566
  224   HH22  ARG  23          2HH2      ARG  23 -11.755 -14.288  -1.078
  225    H    ARG  24           H        ARG  24  -4.508 -20.732  -1.559
  226    HA   ARG  24           HA       ARG  24  -4.409 -22.326  -3.185
  227    HB2  ARG  24           2HB      ARG  24  -5.997 -23.703  -1.029
  228    HB3  ARG  24           3HB      ARG  24  -5.540 -24.530  -2.511
  229    HG2  ARG  24           2HG      ARG  24  -3.546 -24.980  -1.671
  230    HG3  ARG  24           3HG      ARG  24  -3.233 -23.259  -1.436
  231    HD2  ARG  24           2HD      ARG  24  -3.887 -23.299   0.760
  232    HD3  ARG  24           3HD      ARG  24  -4.980 -24.662   0.520
  233    HE   ARG  24           HE       ARG  24  -3.252 -26.087   0.995
  234   HH11  ARG  24          1HH1      ARG  24  -1.971 -22.919   0.328
  235   HH12  ARG  24          2HH1      ARG  24  -0.357 -23.328   0.806
  236   HH21  ARG  24          1HH2      ARG  24  -1.131 -26.637   1.627
  237   HH22  ARG  24          2HH2      ARG  24   0.120 -25.444   1.544
  Start of MODEL   10
    1    H1   TRP   1           H        TRP   1   1.793   0.532   0.664
    2    HA   TRP   1           HA       TRP   1   3.994  -0.128  -0.884
    3    HB2  TRP   1           2HB      TRP   1   2.324  -2.282  -0.901
    4    HB3  TRP   1           3HB      TRP   1   1.755  -1.402  -2.316
    5    HD1  TRP   1           HD1      TRP   1   2.903  -2.190  -4.449
    6    HE1  TRP   1           HE1      TRP   1   5.218  -3.125  -5.074
    7    HE3  TRP   1           HE3      TRP   1   5.092  -2.091   0.169
    8    HZ2  TRP   1           HZ2      TRP   1   7.650  -3.740  -3.781
    9    HZ3  TRP   1           HZ3      TRP   1   7.416  -2.871   0.390
   10    HH2  TRP   1           HH2      TRP   1   8.666  -3.678  -1.545
   11    H    TRP   2           H        TRP   2   4.172   1.819  -1.779
   12    HA   TRP   2           HA       TRP   2   1.782   3.186  -2.761
   13    HB2  TRP   2           2HB      TRP   2   2.805   5.037  -2.035
   14    HB3  TRP   2           3HB      TRP   2   4.156   4.049  -1.485
   15    HD1  TRP   2           HD1      TRP   2   3.260   6.673  -3.986
   16    HE1  TRP   2           HE1      TRP   2   5.274   7.157  -5.513
   17    HE3  TRP   2           HE3      TRP   2   6.242   2.736  -2.667
   18    HZ2  TRP   2           HZ2      TRP   2   7.794   6.020  -6.083
   19    HZ3  TRP   2           HZ3      TRP   2   8.439   2.506  -3.750
   20    HH2  TRP   2           HH2      TRP   2   9.197   4.115  -5.423
   21    H    TRP   3           H        TRP   3   4.532   1.469  -3.888
   22    HA   TRP   3           HA       TRP   3   4.424   2.594  -6.560
   23    HB2  TRP   3           2HB      TRP   3   6.430   1.412  -5.081
   24    HB3  TRP   3           3HB      TRP   3   5.987   0.141  -6.217
   25    HD1  TRP   3           HD1      TRP   3   5.937   3.870  -7.151
   26    HE1  TRP   3           HE1      TRP   3   7.687   4.268  -8.996
   27    HE3  TRP   3           HE3      TRP   3   8.099  -0.762  -7.229
   28    HZ2  TRP   3           HZ2      TRP   3   9.715   2.810 -10.311
   29    HZ3  TRP   3           HZ3      TRP   3   9.938  -1.178  -8.811
   30    HH2  TRP   3           HH2      TRP   3  10.727   0.572 -10.319
   31    H    LYS   4           H        LYS   4   2.218   0.935  -5.218
   32    HA   LYS   4           HA       LYS   4   1.946  -1.536  -6.469
   33    HB2  LYS   4           2HB      LYS   4   0.433  -0.040  -4.732
   34    HB3  LYS   4           3HB      LYS   4  -0.564  -0.044  -6.181
   35    HG2  LYS   4           2HG      LYS   4  -0.860  -2.336  -6.132
   36    HG3  LYS   4           3HG      LYS   4   0.574  -2.601  -5.137
   37    HD2  LYS   4           2HD      LYS   4  -1.107  -2.919  -3.596
   38    HD3  LYS   4           3HD      LYS   4  -0.757  -1.203  -3.370
   39    HE2  LYS   4           2HE      LYS   4  -2.911  -0.799  -3.748
   40    HE3  LYS   4           3HE      LYS   4  -2.647  -1.295  -5.418
   41    HZ1  LYS   4           3HZ      LYS   4  -3.399  -3.131  -3.208
   42    HZ2  LYS   4           1HZ      LYS   4  -3.241  -3.538  -4.843
   43    HZ3  LYS   4           2HZ      LYS   4  -4.478  -2.497  -4.346
   44    H    TYR   5           H        TYR   5   1.731   1.622  -7.779
   45    HA   TYR   5           HA       TYR   5  -0.027   1.252  -9.913
   46    HB2  TYR   5           2HB      TYR   5   2.474   2.941 -10.010
   47    HB3  TYR   5           3HB      TYR   5   0.981   3.183 -10.909
   48    HD1  TYR   5           HD2      TYR   5  -1.105   3.003  -8.940
   49    HD2  TYR   5           HD1      TYR   5   2.770   4.720  -8.567
   50    HE1  TYR   5           HE2      TYR   5  -1.939   4.485  -7.163
   51    HE2  TYR   5           HE1      TYR   5   1.947   6.206  -6.788
   52    HH   TYR   5           HH       TYR   5   0.030   6.154  -5.087
   53    H    GLU   6           H        GLU   6   3.257   0.196  -9.461
   54    HA   GLU   6           HA       GLU   6   3.521  -0.588 -12.257
   55    HB2  GLU   6           2HB      GLU   6   5.549  -1.219 -10.143
   56    HB3  GLU   6           3HB      GLU   6   5.793  -0.902 -11.855
   57    HG2  GLU   6           2HG      GLU   6   4.769   1.468 -11.015
   58    HG3  GLU   6           3HG      GLU   6   5.668   0.948  -9.591
   59    H    ILE   7           H        ILE   7   2.003  -1.842  -9.690
   60    HA   ILE   7           HA       ILE   7   2.818  -4.617 -10.189
   61    HB   ILE   7           HB       ILE   7   1.359  -3.288  -7.933
   62   HG12  ILE   7          2HG1      ILE   7   3.832  -3.529  -7.884
   63   HG13  ILE   7          3HG1      ILE   7   3.036  -4.403  -6.580
   64   HG21  ILE   7          1HG2      ILE   7  -0.102  -5.042  -8.123
   65   HG22  ILE   7          2HG2      ILE   7   1.101  -6.108  -8.847
   66   HG23  ILE   7          3HG2      ILE   7   1.144  -5.778  -7.115
   67   HD11  ILE   7          3HD1      ILE   7   4.182  -5.561  -9.106
   68   HD12  ILE   7          1HD1      ILE   7   4.789  -5.760  -7.462
   69   HD13  ILE   7          2HD1      ILE   7   3.244  -6.476  -7.925
   70    H    THR   8           H        THR   8   0.024  -2.468 -10.246
   71    HA   THR   8           HA       THR   8  -2.044  -4.205 -10.702
   72    HB   THR   8           HB       THR   8  -3.233  -2.444 -11.773
   73    HG1  THR   8           HG1      THR   8  -2.202  -0.724 -12.773
   74   HG21  THR   8          3HG2      THR   8  -2.942  -0.624 -10.265
   75   HG22  THR   8          1HG2      THR   8  -1.251  -1.039  -9.988
   76   HG23  THR   8          2HG2      THR   8  -2.529  -2.089  -9.376
   77    H    THR   9           H        THR   9   0.524  -3.304 -12.886
   78    HA   THR   9           HA       THR   9  -0.544  -4.062 -15.332
   79    HB   THR   9           HB       THR   9   1.541  -3.003 -15.446
   80    HG1  THR   9           HG1      THR   9   2.037  -4.345 -17.000
   81   HG21  THR   9          3HG2      THR   9   3.332  -4.869 -14.203
   82   HG22  THR   9          1HG2      THR   9   2.079  -4.392 -13.057
   83   HG23  THR   9          2HG2      THR   9   3.074  -3.163 -13.838
   84    H    ILE  10           H        ILE  10   1.367  -6.068 -13.085
   85    HA   ILE  10           HA       ILE  10   0.639  -8.460 -14.573
   86    HB   ILE  10           HB       ILE  10   2.247  -9.626 -13.324
   87   HG12  ILE  10          2HG1      ILE  10   1.355  -8.534 -11.126
   88   HG13  ILE  10          3HG1      ILE  10   3.022  -9.097 -11.197
   89   HG21  ILE  10          1HG2      ILE  10   4.254  -8.061 -13.318
   90   HG22  ILE  10          2HG2      ILE  10   3.383  -8.238 -14.841
   91   HG23  ILE  10          3HG2      ILE  10   3.134  -6.804 -13.844
   92   HD11  ILE  10          3HD1      ILE  10   2.286  -6.678 -10.299
   93   HD12  ILE  10          1HD1      ILE  10   3.862  -7.025 -11.009
   94   HD13  ILE  10          2HD1      ILE  10   2.591  -6.302 -11.995
   95    H    HIS  11           H        HIS  11  -0.304  -6.747 -11.737
   96    HA   HIS  11           HA       HIS  11  -1.356  -8.755 -10.137
   97    HB2  HIS  11           2HB      HIS  11  -1.185  -6.373  -9.476
   98    HB3  HIS  11           3HB      HIS  11  -2.512  -5.993 -10.570
   99    HD1  HIS  11           HD1      HIS  11  -2.396  -8.932  -8.190
  100    HD2  HIS  11           HD2      HIS  11  -4.429  -5.349  -8.728
  101    HE1  HIS  11           HE1      HIS  11  -4.246  -8.946  -6.486
  102    H    ASN  12           H        ASN  12  -2.407  -7.647 -13.203
  103    HA   ASN  12           HA       ASN  12  -5.142  -8.461 -12.966
  104    HB2  ASN  12           2HB      ASN  12  -3.395  -7.367 -15.077
  105    HB3  ASN  12           3HB      ASN  12  -4.688  -8.417 -15.651
  106   HD21  ASN  12          1HD2      ASN  12  -3.954  -5.499 -13.866
  107   HD22  ASN  12          2HD2      ASN  12  -5.509  -4.768 -14.049
  108    H    LEU  13           H        LEU  13  -2.189 -10.079 -13.513
  109    HA   LEU  13           HA       LEU  13  -3.641 -12.480 -14.413
  110    HB2  LEU  13           2HB      LEU  13  -1.829 -13.148 -15.702
  111    HB3  LEU  13           3HB      LEU  13  -1.933 -11.412 -15.989
  112    HG   LEU  13           HG       LEU  13  -0.154 -11.666 -13.863
  113   HD11  LEU  13          1HD1      LEU  13   1.547 -13.208 -15.061
  114   HD12  LEU  13          2HD1      LEU  13   0.117 -13.921 -15.808
  115   HD13  LEU  13          3HD1      LEU  13   0.291 -13.927 -14.053
  116   HD21  LEU  13          3HD2      LEU  13   1.396 -10.706 -15.346
  117   HD22  LEU  13          1HD2      LEU  13  -0.181 -10.145 -15.902
  118   HD23  LEU  13          2HD2      LEU  13   0.640 -11.453 -16.754
  119    H    PHE  14           H        PHE  14  -1.611 -11.066 -12.044
  120    HA   PHE  14           HA       PHE  14  -0.575 -13.516 -10.969
  121    HB2  PHE  14           2HB      PHE  14  -0.310 -10.664 -10.430
  122    HB3  PHE  14           3HB      PHE  14  -0.410 -11.615  -8.952
  123    HD1  PHE  14           HD1      PHE  14   1.263 -13.369  -8.496
  124    HD2  PHE  14           HD2      PHE  14   1.606 -10.741 -11.827
  125    HE1  PHE  14           HE1      PHE  14   3.637 -13.973  -8.724
  126    HE2  PHE  14           HE2      PHE  14   3.981 -11.342 -12.060
  127    HZ   PHE  14           HZ       PHE  14   4.999 -12.960 -10.509
  128    H    ARG  15           H        ARG  15  -3.469 -11.675 -10.604
  129    HA   ARG  15           HA       ARG  15  -4.296 -12.383  -8.047
  130    HB2  ARG  15           2HB      ARG  15  -6.599 -12.022  -8.882
  131    HB3  ARG  15           3HB      ARG  15  -5.496 -10.735  -9.351
  132    HG2  ARG  15           2HG      ARG  15  -6.313 -11.002 -11.402
  133    HG3  ARG  15           3HG      ARG  15  -5.334 -12.469 -11.470
  134    HD2  ARG  15           2HD      ARG  15  -7.242 -13.566 -11.830
  135    HD3  ARG  15           3HD      ARG  15  -7.609 -13.272 -10.131
  136    HE   ARG  15           HE       ARG  15  -8.482 -11.024 -11.378
  137   HH11  ARG  15          1HH1      ARG  15  -9.064 -14.426 -11.830
  138   HH12  ARG  15          2HH1      ARG  15 -10.672 -14.203 -12.435
  139   HH21  ARG  15          1HH2      ARG  15 -10.597 -10.718 -12.173
  140   HH22  ARG  15          2HH2      ARG  15 -11.543 -12.094 -12.631
  141    H    LYS  16           H        LYS  16  -4.122 -14.276 -10.943
  142    HA   LYS  16           HA       LYS  16  -5.932 -16.329 -10.163
  143    HB2  LYS  16           2HB      LYS  16  -5.144 -17.536 -12.046
  144    HB3  LYS  16           3HB      LYS  16  -5.126 -15.841 -12.514
  145    HG2  LYS  16           2HG      LYS  16  -3.073 -16.350 -13.265
  146    HG3  LYS  16           3HG      LYS  16  -2.616 -16.092 -11.580
  147    HD2  LYS  16           2HD      LYS  16  -3.057 -18.567 -11.232
  148    HD3  LYS  16           3HD      LYS  16  -3.137 -18.700 -12.990
  149    HE2  LYS  16           2HE      LYS  16  -0.876 -17.891 -13.198
  150    HE3  LYS  16           3HE      LYS  16  -0.790 -17.575 -11.466
  151    HZ1  LYS  16           3HZ      LYS  16  -0.893 -19.896 -11.013
  152    HZ2  LYS  16           1HZ      LYS  16   0.307 -19.665 -12.182
  153    HZ3  LYS  16           2HZ      LYS  16  -1.206 -20.272 -12.632
  154    H    LEU  17           H        LEU  17  -2.625 -15.621  -9.432
  155    HA   LEU  17           HA       LEU  17  -1.983 -18.279  -8.520
  156    HB2  LEU  17           2HB      LEU  17  -0.237 -16.881  -9.434
  157    HB3  LEU  17           3HB      LEU  17  -0.549 -15.646  -8.215
  158    HG   LEU  17           HG       LEU  17   0.094 -17.531  -6.534
  159   HD11  LEU  17          1HD1      LEU  17   0.983 -19.416  -7.309
  160   HD12  LEU  17          2HD1      LEU  17   2.015 -18.551  -8.447
  161   HD13  LEU  17          3HD1      LEU  17   0.357 -18.955  -8.892
  162   HD21  LEU  17          3HD2      LEU  17   2.601 -16.950  -7.144
  163   HD22  LEU  17          1HD2      LEU  17   1.508 -15.743  -6.466
  164   HD23  LEU  17          2HD2      LEU  17   1.817 -15.776  -8.202
  165    H    THR  18           H        THR  18  -3.042 -15.249  -7.106
  166    HA   THR  18           HA       THR  18  -2.530 -15.712  -4.421
  167    HB   THR  18           HB       THR  18  -4.225 -14.109  -3.899
  168    HG1  THR  18           HG1      THR  18  -5.247 -14.061  -6.511
  169   HG21  THR  18          3HG2      THR  18  -3.612 -12.271  -5.293
  170   HG22  THR  18          1HG2      THR  18  -3.197 -13.344  -6.629
  171   HG23  THR  18          2HG2      THR  18  -2.203 -13.324  -5.172
  172    H    HIS  19           H        HIS  19  -5.247 -16.801  -6.403
  173    HA   HIS  19           HA       HIS  19  -6.833 -17.875  -4.362
  174    HB2  HIS  19           2HB      HIS  19  -7.184 -17.579  -7.001
  175    HB3  HIS  19           3HB      HIS  19  -6.761 -19.288  -6.978
  176    HD1  HIS  19           HD1      HIS  19  -8.420 -20.903  -5.792
  177    HD2  HIS  19           HD2      HIS  19  -9.690 -16.951  -5.964
  178    HE1  HIS  19           HE1      HIS  19 -10.862 -20.955  -5.196
  179    H    ARG  20           H        ARG  20  -3.857 -18.946  -5.673
  180    HA   ARG  20           HA       ARG  20  -4.211 -21.619  -4.501
  181    HB2  ARG  20           2HB      ARG  20  -2.183 -20.588  -6.491
  182    HB3  ARG  20           3HB      ARG  20  -2.161 -22.207  -5.805
  183    HG2  ARG  20           2HG      ARG  20  -3.660 -22.932  -7.269
  184    HG3  ARG  20           3HG      ARG  20  -4.746 -21.585  -6.924
  185    HD2  ARG  20           2HD      ARG  20  -3.255 -20.173  -8.394
  186    HD3  ARG  20           3HD      ARG  20  -2.461 -21.670  -8.880
  187    HE   ARG  20           HE       ARG  20  -4.984 -20.701  -9.783
  188   HH11  ARG  20          1HH1      ARG  20  -3.186 -23.601  -9.089
  189   HH12  ARG  20          2HH1      ARG  20  -4.088 -24.581 -10.197
  190   HH21  ARG  20          1HH2      ARG  20  -6.179 -21.981 -11.244
  191   HH22  ARG  20          2HH2      ARG  20  -5.790 -23.659 -11.423
  192    H    LEU  21           H        LEU  21  -2.591 -18.621  -4.120
  193    HA   LEU  21           HA       LEU  21  -0.731 -19.793  -2.167
  194    HB2  LEU  21           2HB      LEU  21  -0.668 -17.360  -3.876
  195    HB3  LEU  21           3HB      LEU  21   0.166 -17.310  -2.324
  196    HG   LEU  21           HG       LEU  21   0.713 -19.269  -4.554
  197   HD11  LEU  21          1HD1      LEU  21   1.396 -16.678  -4.584
  198   HD12  LEU  21          2HD1      LEU  21   2.406 -17.954  -5.262
  199   HD13  LEU  21          3HD1      LEU  21   2.743 -17.327  -3.648
  200   HD21  LEU  21          3HD2      LEU  21   1.353 -20.450  -2.698
  201   HD22  LEU  21          1HD2      LEU  21   1.704 -18.999  -1.758
  202   HD23  LEU  21          2HD2      LEU  21   2.826 -19.531  -3.011
  203    H    PHE  22           H        PHE  22  -2.189 -16.563  -2.432
  204    HA   PHE  22           HA       PHE  22  -2.345 -16.041   0.272
  205    HB2  PHE  22           2HB      PHE  22  -3.831 -15.024  -2.113
  206    HB3  PHE  22           3HB      PHE  22  -4.393 -14.564  -0.509
  207    HD1  PHE  22           HD1      PHE  22  -2.609 -13.572   1.087
  208    HD2  PHE  22           HD2      PHE  22  -2.170 -13.797  -3.141
  209    HE1  PHE  22           HE1      PHE  22  -0.913 -11.790   1.172
  210    HE2  PHE  22           HE2      PHE  22  -0.473 -12.017  -3.063
  211    HZ   PHE  22           HZ       PHE  22   0.158 -11.012  -0.905
  212    H    ARG  23           H        ARG  23  -4.554 -17.847  -1.761
  213    HA   ARG  23           HA       ARG  23  -6.632 -18.016   0.206
  214    HB2  ARG  23           2HB      ARG  23  -6.415 -18.551  -2.523
  215    HB3  ARG  23           3HB      ARG  23  -6.677 -20.126  -1.787
  216    HG2  ARG  23           2HG      ARG  23  -8.797 -19.220  -2.387
  217    HG3  ARG  23           3HG      ARG  23  -8.665 -19.184  -0.627
  218    HD2  ARG  23           2HD      ARG  23  -8.655 -16.925  -0.543
  219    HD3  ARG  23           3HD      ARG  23  -7.728 -16.770  -2.034
  220    HE   ARG  23           HE       ARG  23  -9.691 -16.509  -3.162
  221   HH11  ARG  23          1HH1      ARG  23 -10.360 -18.030  -0.103
  222   HH12  ARG  23          2HH1      ARG  23 -12.080 -17.974  -0.303
  223   HH21  ARG  23          1HH2      ARG  23 -11.954 -16.429  -3.437
  224   HH22  ARG  23          2HH2      ARG  23 -12.986 -17.064  -2.200
  225    H    ARG  24           H        ARG  24  -3.852 -19.937  -0.696
  226    HA   ARG  24           HA       ARG  24  -4.442 -22.374   0.456
  227    HB2  ARG  24           2HB      ARG  24  -2.279 -21.395  -0.779
  228    HB3  ARG  24           3HB      ARG  24  -1.699 -21.310   0.879
  229    HG2  ARG  24           2HG      ARG  24  -1.107 -23.435   0.686
  230    HG3  ARG  24           3HG      ARG  24  -2.824 -23.843   0.653
  231    HD2  ARG  24           2HD      ARG  24  -2.738 -23.420  -1.840
  232    HD3  ARG  24           3HD      ARG  24  -0.983 -23.366  -1.678
  233    HE   ARG  24           HE       ARG  24  -2.632 -25.693  -1.690
  234   HH11  ARG  24          1HH1      ARG  24   0.314 -24.351  -0.411
  235   HH12  ARG  24          2HH1      ARG  24   1.080 -25.891  -0.204
  236   HH21  ARG  24          1HH2      ARG  24  -1.635 -27.727  -1.422
  237   HH22  ARG  24          2HH2      ARG  24  -0.030 -27.811  -0.780
  Start of MODEL   11
    1    H1   TRP   1           H        TRP   1   2.461  -0.487   1.376
    2    HA   TRP   1           HA       TRP   1   3.910  -1.011  -0.535
    3    HB2  TRP   1           2HB      TRP   1   2.251  -3.167  -0.730
    4    HB3  TRP   1           3HB      TRP   1   1.671  -2.171  -2.062
    5    HD1  TRP   1           HD1      TRP   1   2.783  -2.858  -4.248
    6    HE1  TRP   1           HE1      TRP   1   5.113  -3.686  -4.965
    7    HE3  TRP   1           HE3      TRP   1   5.065  -2.923   0.326
    8    HZ2  TRP   1           HZ2      TRP   1   7.589  -4.287  -3.752
    9    HZ3  TRP   1           HZ3      TRP   1   7.416  -3.638   0.461
   10    HH2  TRP   1           HH2      TRP   1   8.650  -4.306  -1.537
   11    H    TRP   2           H        TRP   2   4.060   1.022  -1.227
   12    HA   TRP   2           HA       TRP   2   1.659   2.457  -2.064
   13    HB2  TRP   2           2HB      TRP   2   2.706   4.213  -1.162
   14    HB3  TRP   2           3HB      TRP   2   4.105   3.201  -0.812
   15    HD1  TRP   2           HD1      TRP   2   2.951   5.995  -3.043
   16    HE1  TRP   2           HE1      TRP   2   4.873   6.709  -4.599
   17    HE3  TRP   2           HE3      TRP   2   6.203   2.158  -2.129
   18    HZ2  TRP   2           HZ2      TRP   2   7.429   5.770  -5.340
   19    HZ3  TRP   2           HZ3      TRP   2   8.365   2.140  -3.303
   20    HH2  TRP   2           HH2      TRP   2   8.964   3.909  -4.875
   21    H    TRP   3           H        TRP   3   4.445   0.906  -3.384
   22    HA   TRP   3           HA       TRP   3   4.203   2.215  -5.963
   23    HB2  TRP   3           2HB      TRP   3   6.318   1.068  -4.634
   24    HB3  TRP   3           3HB      TRP   3   5.901  -0.174  -5.812
   25    HD1  TRP   3           HD1      TRP   3   5.710   3.622  -6.477
   26    HE1  TRP   3           HE1      TRP   3   7.330   4.183  -8.397
   27    HE3  TRP   3           HE3      TRP   3   7.890  -0.965  -7.066
   28    HZ2  TRP   3           HZ2      TRP   3   9.275   2.856  -9.955
   29    HZ3  TRP   3           HZ3      TRP   3   9.621  -1.235  -8.794
   30    HH2  TRP   3           HH2      TRP   3  10.297   0.637 -10.208
   31    H    LYS   4           H        LYS   4   2.079   0.424  -4.742
   32    HA   LYS   4           HA       LYS   4   1.899  -1.998  -6.111
   33    HB2  LYS   4           2HB      LYS   4   0.438  -1.374  -4.231
   34    HB3  LYS   4           3HB      LYS   4  -0.352  -0.174  -5.244
   35    HG2  LYS   4           2HG      LYS   4  -1.222  -1.899  -6.686
   36    HG3  LYS   4           3HG      LYS   4  -0.341  -3.136  -5.786
   37    HD2  LYS   4           2HD      LYS   4  -1.808  -1.744  -3.863
   38    HD3  LYS   4           3HD      LYS   4  -2.908  -1.933  -5.231
   39    HE2  LYS   4           2HE      LYS   4  -3.215  -3.845  -3.881
   40    HE3  LYS   4           3HE      LYS   4  -2.247  -4.374  -5.255
   41    HZ1  LYS   4           3HZ      LYS   4  -1.643  -4.647  -2.567
   42    HZ2  LYS   4           1HZ      LYS   4  -0.561  -3.492  -3.167
   43    HZ3  LYS   4           2HZ      LYS   4  -0.651  -5.021  -3.885
   44    H    TYR   5           H        TYR   5   1.584   1.208  -7.262
   45    HA   TYR   5           HA       TYR   5  -0.177   0.895  -9.404
   46    HB2  TYR   5           2HB      TYR   5   2.274   2.660  -9.423
   47    HB3  TYR   5           3HB      TYR   5   0.772   2.901 -10.308
   48    HD1  TYR   5           HD2      TYR   5  -1.281   2.508  -8.297
   49    HD2  TYR   5           HD1      TYR   5   2.499   4.428  -7.945
   50    HE1  TYR   5           HE2      TYR   5  -2.154   3.876  -6.449
   51    HE2  TYR   5           HE1      TYR   5   1.637   5.800  -6.095
   52    HH   TYR   5           HH       TYR   5  -1.165   5.113  -4.448
   53    H    GLU   6           H        GLU   6   3.142  -0.079  -9.021
   54    HA   GLU   6           HA       GLU   6   3.445  -0.685 -11.850
   55    HB2  GLU   6           2HB      GLU   6   5.440  -1.495  -9.774
   56    HB3  GLU   6           3HB      GLU   6   5.706  -0.992 -11.437
   57    HG2  GLU   6           2HG      GLU   6   4.881   0.810  -9.172
   58    HG3  GLU   6           3HG      GLU   6   6.507   0.668  -9.838
   59    H    ILE   7           H        ILE   7   1.921  -2.137  -9.370
   60    HA   ILE   7           HA       ILE   7   2.728  -4.862 -10.101
   61    HB   ILE   7           HB       ILE   7   1.285  -3.722  -7.734
   62   HG12  ILE   7          2HG1      ILE   7   3.759  -3.959  -7.723
   63   HG13  ILE   7          3HG1      ILE   7   2.974  -4.936  -6.486
   64   HG21  ILE   7          1HG2      ILE   7  -0.173  -5.460  -8.063
   65   HG22  ILE   7          2HG2      ILE   7   1.033  -6.464  -8.866
   66   HG23  ILE   7          3HG2      ILE   7   1.076  -6.265  -7.115
   67   HD11  ILE   7          3HD1      ILE   7   4.725  -6.211  -7.489
   68   HD12  ILE   7          1HD1      ILE   7   3.179  -6.896  -7.988
   69   HD13  ILE   7          2HD1      ILE   7   4.100  -5.888  -9.106
   70    H    THR   8           H        THR   8  -0.061  -2.712  -9.968
   71    HA   THR   8           HA       THR   8  -2.136  -4.404 -10.545
   72    HB   THR   8           HB       THR   8  -3.329  -2.563 -11.463
   73    HG1  THR   8           HG1      THR   8  -2.228  -0.694 -12.217
   74   HG21  THR   8          3HG2      THR   8  -3.023  -0.867  -9.819
   75   HG22  THR   8          1HG2      THR   8  -1.331  -1.306  -9.587
   76   HG23  THR   8          2HG2      THR   8  -2.607  -2.400  -9.052
   77    H    THR   9           H        THR   9   0.419  -3.338 -12.668
   78    HA   THR   9           HA       THR   9  -0.667  -3.896 -15.159
   79    HB   THR   9           HB       THR   9   1.420  -2.836 -15.201
   80    HG1  THR   9           HG1      THR   9   1.209  -4.549 -16.786
   81   HG21  THR   9          3HG2      THR   9   2.967  -3.131 -13.626
   82   HG22  THR   9          1HG2      THR   9   3.213  -4.804 -14.126
   83   HG23  THR   9          2HG2      THR   9   1.971  -4.413 -12.936
   84    H    ILE  10           H        ILE  10   1.249  -6.079 -13.089
   85    HA   ILE  10           HA       ILE  10   0.505  -8.344 -14.758
   86    HB   ILE  10           HB       ILE  10   2.119  -9.610 -13.617
   87   HG12  ILE  10          2HG1      ILE  10   1.254  -8.686 -11.332
   88   HG13  ILE  10          3HG1      ILE  10   2.917  -9.247 -11.463
   89   HG21  ILE  10          1HG2      ILE  10   4.131  -8.051 -13.508
   90   HG22  ILE  10          2HG2      ILE  10   3.249  -8.118 -15.033
   91   HG23  ILE  10          3HG2      ILE  10   3.009  -6.760 -13.934
   92   HD11  ILE  10          3HD1      ILE  10   2.197  -6.899 -10.378
   93   HD12  ILE  10          1HD1      ILE  10   3.767  -7.199 -11.123
   94   HD13  ILE  10          2HD1      ILE  10   2.492  -6.398 -12.043
   95    H    HIS  11           H        HIS  11  -0.411  -6.858 -11.789
   96    HA   HIS  11           HA       HIS  11  -1.453  -8.983 -10.341
   97    HB2  HIS  11           2HB      HIS  11  -1.274  -6.659  -9.500
   98    HB3  HIS  11           3HB      HIS  11  -2.609  -6.195 -10.549
   99    HD1  HIS  11           HD1      HIS  11  -2.477  -9.310  -8.405
  100    HD2  HIS  11           HD2      HIS  11  -4.510  -5.695  -8.647
  101    HE1  HIS  11           HE1      HIS  11  -4.312  -9.455  -6.692
  102    H    ASN  12           H        ASN  12  -2.527  -7.639 -13.303
  103    HA   ASN  12           HA       ASN  12  -5.262  -8.467 -13.108
  104    HB2  ASN  12           2HB      ASN  12  -3.578  -7.089 -15.041
  105    HB3  ASN  12           3HB      ASN  12  -4.663  -8.239 -15.818
  106   HD21  ASN  12          1HD2      ASN  12  -4.906  -6.012 -13.062
  107   HD22  ASN  12          2HD2      ASN  12  -6.364  -5.251 -13.591
  108    H    LEU  13           H        LEU  13  -2.316 -10.041 -13.801
  109    HA   LEU  13           HA       LEU  13  -3.779 -12.364 -14.872
  110    HB2  LEU  13           2HB      LEU  13  -1.974 -12.935 -16.220
  111    HB3  LEU  13           3HB      LEU  13  -2.085 -11.183 -16.378
  112    HG   LEU  13           HG       LEU  13  -0.288 -11.517 -14.313
  113   HD11  LEU  13          1HD1      LEU  13   1.392 -13.088 -15.345
  114   HD12  LEU  13          2HD1      LEU  13   0.079 -13.696 -16.353
  115   HD13  LEU  13          3HD1      LEU  13  -0.014 -13.848 -14.598
  116   HD21  LEU  13          3HD2      LEU  13   1.389 -10.858 -16.023
  117   HD22  LEU  13          1HD2      LEU  13  -0.076  -9.877 -16.053
  118   HD23  LEU  13          2HD2      LEU  13   0.169 -11.132 -17.268
  119    H    PHE  14           H        PHE  14  -1.725 -11.139 -12.419
  120    HA   PHE  14           HA       PHE  14  -0.686 -13.665 -11.544
  121    HB2  PHE  14           2HB      PHE  14  -0.412 -10.864 -10.789
  122    HB3  PHE  14           3HB      PHE  14  -0.501 -11.925  -9.388
  123    HD1  PHE  14           HD1      PHE  14   1.173 -13.710  -9.080
  124    HD2  PHE  14           HD2      PHE  14   1.493 -10.836 -12.204
  125    HE1  PHE  14           HE1      PHE  14   3.544 -14.297  -9.373
  126    HE2  PHE  14           HE2      PHE  14   3.864 -11.420 -12.502
  127    HZ   PHE  14           HZ       PHE  14   4.893 -13.153 -11.086
  128    H    ARG  15           H        ARG  15  -3.553 -11.816 -10.971
  129    HA   ARG  15           HA       ARG  15  -4.366 -12.728  -8.485
  130    HB2  ARG  15           2HB      ARG  15  -6.591 -12.128  -9.115
  131    HB3  ARG  15           3HB      ARG  15  -5.503 -10.985  -9.892
  132    HG2  ARG  15           2HG      ARG  15  -5.671 -12.653 -11.900
  133    HG3  ARG  15           3HG      ARG  15  -7.163 -13.142 -11.095
  134    HD2  ARG  15           2HD      ARG  15  -7.299 -10.396 -11.038
  135    HD3  ARG  15           3HD      ARG  15  -6.547 -10.720 -12.599
  136    HE   ARG  15           HE       ARG  15  -9.261 -11.246 -11.849
  137   HH11  ARG  15          1HH1      ARG  15  -6.650 -12.233 -13.930
  138   HH12  ARG  15          2HH1      ARG  15  -7.693 -12.916 -15.132
  139   HH21  ARG  15          1HH2      ARG  15 -10.645 -12.142 -13.425
  140   HH22  ARG  15          2HH2      ARG  15  -9.965 -12.863 -14.845
  141    H    LYS  16           H        LYS  16  -4.446 -14.336 -11.595
  142    HA   LYS  16           HA       LYS  16  -6.195 -16.433 -10.992
  143    HB2  LYS  16           2HB      LYS  16  -5.311 -17.548 -12.894
  144    HB3  LYS  16           3HB      LYS  16  -5.252 -15.828 -13.258
  145    HG2  LYS  16           2HG      LYS  16  -3.159 -16.286 -13.909
  146    HG3  LYS  16           3HG      LYS  16  -2.799 -16.194 -12.183
  147    HD2  LYS  16           2HD      LYS  16  -3.449 -18.726 -12.213
  148    HD3  LYS  16           3HD      LYS  16  -3.102 -18.594 -13.939
  149    HE2  LYS  16           2HE      LYS  16  -0.969 -17.314 -12.713
  150    HE3  LYS  16           3HE      LYS  16  -1.286 -18.706 -11.679
  151    HZ1  LYS  16           3HZ      LYS  16   0.298 -18.998 -13.644
  152    HZ2  LYS  16           1HZ      LYS  16  -1.092 -19.007 -14.608
  153    HZ3  LYS  16           2HZ      LYS  16  -0.888 -20.180 -13.407
  154    H    LEU  17           H        LEU  17  -2.915 -15.862 -10.041
  155    HA   LEU  17           HA       LEU  17  -2.554 -18.604  -9.119
  156    HB2  LEU  17           2HB      LEU  17  -0.704 -17.418 -10.236
  157    HB3  LEU  17           3HB      LEU  17  -0.702 -16.233  -8.932
  158    HG   LEU  17           HG       LEU  17  -0.036 -17.986  -7.350
  159   HD11  LEU  17          1HD1      LEU  17  -1.101 -19.865  -8.573
  160   HD12  LEU  17          2HD1      LEU  17   0.562 -20.189  -8.085
  161   HD13  LEU  17          3HD1      LEU  17   0.199 -19.778  -9.762
  162   HD21  LEU  17          3HD2      LEU  17   1.530 -16.954  -9.525
  163   HD22  LEU  17          1HD2      LEU  17   2.124 -18.544  -9.045
  164   HD23  LEU  17          2HD2      LEU  17   1.998 -17.252  -7.851
  165    H    THR  18           H        THR  18  -3.071 -15.370  -7.865
  166    HA   THR  18           HA       THR  18  -2.513 -15.837  -5.162
  167    HB   THR  18           HB       THR  18  -3.882 -13.884  -4.670
  168    HG1  THR  18           HG1      THR  18  -5.193 -12.972  -6.253
  169   HG21  THR  18          3HG2      THR  18  -2.817 -12.259  -6.205
  170   HG22  THR  18          1HG2      THR  18  -2.302 -13.599  -7.229
  171   HG23  THR  18          2HG2      THR  18  -1.679 -13.455  -5.585
  172    H    HIS  19           H        HIS  19  -5.397 -16.455  -7.075
  173    HA   HIS  19           HA       HIS  19  -7.291 -16.887  -5.127
  174    HB2  HIS  19           2HB      HIS  19  -6.921 -17.645  -7.893
  175    HB3  HIS  19           3HB      HIS  19  -7.709 -18.938  -6.995
  176    HD1  HIS  19           HD1      HIS  19  -9.971 -18.233  -5.730
  177    HD2  HIS  19           HD2      HIS  19  -8.544 -15.553  -8.567
  178    HE1  HIS  19           HE1      HIS  19 -11.905 -16.713  -6.252
  179    H    ARG  20           H        ARG  20  -4.581 -18.897  -6.020
  180    HA   ARG  20           HA       ARG  20  -5.461 -20.941  -4.095
  181    HB2  ARG  20           2HB      ARG  20  -3.646 -22.336  -5.223
  182    HB3  ARG  20           3HB      ARG  20  -5.086 -21.989  -6.170
  183    HG2  ARG  20           2HG      ARG  20  -3.887 -20.180  -7.313
  184    HG3  ARG  20           3HG      ARG  20  -2.439 -20.571  -6.382
  185    HD2  ARG  20           2HD      ARG  20  -3.853 -22.577  -8.121
  186    HD3  ARG  20           3HD      ARG  20  -2.571 -21.529  -8.725
  187    HE   ARG  20           HE       ARG  20  -1.845 -23.009  -6.370
  188   HH11  ARG  20          1HH1      ARG  20  -2.023 -23.061  -9.846
  189   HH12  ARG  20          2HH1      ARG  20  -0.788 -24.263 -10.022
  190   HH21  ARG  20          1HH2      ARG  20  -0.217 -24.592  -6.588
  191   HH22  ARG  20          2HH2      ARG  20   0.238 -25.134  -8.168
  192    H    LEU  21           H        LEU  21  -2.998 -18.612  -4.828
  193    HA   LEU  21           HA       LEU  21  -1.102 -19.621  -2.911
  194    HB2  LEU  21           2HB      LEU  21  -1.260 -17.348  -4.794
  195    HB3  LEU  21           3HB      LEU  21  -0.246 -17.120  -3.371
  196    HG   LEU  21           HG       LEU  21   0.923 -17.912  -5.463
  197   HD11  LEU  21          1HD1      LEU  21   2.060 -18.098  -3.394
  198   HD12  LEU  21          2HD1      LEU  21   2.246 -19.649  -4.214
  199   HD13  LEU  21          3HD1      LEU  21   1.081 -19.480  -2.901
  200   HD21  LEU  21          3HD2      LEU  21  -0.769 -19.488  -6.230
  201   HD22  LEU  21          1HD2      LEU  21  -0.520 -20.474  -4.789
  202   HD23  LEU  21          2HD2      LEU  21   0.776 -20.302  -5.973
  203    H    PHE  22           H        PHE  22  -2.496 -16.355  -3.080
  204    HA   PHE  22           HA       PHE  22  -2.136 -15.695  -0.426
  205    HB2  PHE  22           2HB      PHE  22  -3.917 -14.727  -2.596
  206    HB3  PHE  22           3HB      PHE  22  -4.337 -14.248  -0.955
  207    HD1  PHE  22           HD1      PHE  22  -1.647 -14.157  -3.488
  208    HD2  PHE  22           HD2      PHE  22  -3.150 -12.556   0.158
  209    HE1  PHE  22           HE1      PHE  22   0.030 -12.360  -3.590
  210    HE2  PHE  22           HE2      PHE  22  -1.476 -10.755   0.061
  211    HZ   PHE  22           HZ       PHE  22   0.116 -10.655  -1.815
  212    H    ARG  23           H        ARG  23  -4.744 -17.504  -1.919
  213    HA   ARG  23           HA       ARG  23  -6.327 -17.560   0.498
  214    HB2  ARG  23           2HB      ARG  23  -6.823 -17.993  -2.232
  215    HB3  ARG  23           3HB      ARG  23  -7.086 -19.548  -1.454
  216    HG2  ARG  23           2HG      ARG  23  -9.174 -18.503  -1.436
  217    HG3  ARG  23           3HG      ARG  23  -8.552 -18.292   0.202
  218    HD2  ARG  23           2HD      ARG  23  -7.597 -16.056  -0.913
  219    HD3  ARG  23           3HD      ARG  23  -9.015 -16.296  -1.933
  220    HE   ARG  23           HE       ARG  23  -9.632 -16.521   0.845
  221   HH11  ARG  23          1HH1      ARG  23  -9.079 -14.253  -1.738
  222   HH12  ARG  23          2HH1      ARG  23 -10.029 -12.998  -1.014
  223   HH21  ARG  23          1HH2      ARG  23 -10.886 -14.876   1.808
  224   HH22  ARG  23          2HH2      ARG  23 -11.056 -13.353   1.003
  225    H    ARG  24           H        ARG  24  -4.049 -19.628  -1.171
  226    HA   ARG  24           HA       ARG  24  -2.983 -21.542  -0.558
  227    HB2  ARG  24           2HB      ARG  24  -3.692 -20.249   1.976
  228    HB3  ARG  24           3HB      ARG  24  -3.477 -21.990   2.108
  229    HG2  ARG  24           2HG      ARG  24  -1.463 -20.064   0.966
  230    HG3  ARG  24           3HG      ARG  24  -1.416 -20.766   2.584
  231    HD2  ARG  24           2HD      ARG  24  -1.708 -22.943   0.881
  232    HD3  ARG  24           3HD      ARG  24  -0.566 -21.885   0.054
  233    HE   ARG  24           HE       ARG  24   0.146 -22.156   2.776
  234   HH11  ARG  24          1HH1      ARG  24   0.141 -23.903  -0.235
  235   HH12  ARG  24          2HH1      ARG  24   1.497 -24.895   0.188
  236   HH21  ARG  24          1HH2      ARG  24   1.932 -23.456   3.344
  237   HH22  ARG  24          2HH2      ARG  24   2.515 -24.640   2.224
  Start of MODEL   12
    1    H1   TRP   1           H        TRP   1   2.690   0.418   0.970
    2    HA   TRP   1           HA       TRP   1   3.957  -0.054  -0.989
    3    HB2  TRP   1           2HB      TRP   1   2.408  -2.299  -1.006
    4    HB3  TRP   1           3HB      TRP   1   1.759  -1.428  -2.393
    5    HD1  TRP   1           HD1      TRP   1   2.911  -2.081  -4.570
    6    HE1  TRP   1           HE1      TRP   1   5.256  -2.890  -5.259
    7    HE3  TRP   1           HE3      TRP   1   5.170  -2.020   0.016
    8    HZ2  TRP   1           HZ2      TRP   1   7.735  -3.430  -4.021
    9    HZ3  TRP   1           HZ3      TRP   1   7.530  -2.698   0.177
   10    HH2  TRP   1           HH2      TRP   1   8.784  -3.388  -1.801
   11    H    TRP   2           H        TRP   2   4.002   1.915  -1.849
   12    HA   TRP   2           HA       TRP   2   1.516   3.162  -2.750
   13    HB2  TRP   2           2HB      TRP   2   2.452   5.056  -2.019
   14    HB3  TRP   2           3HB      TRP   2   3.867   4.135  -1.515
   15    HD1  TRP   2           HD1      TRP   2   2.775   6.748  -3.947
   16    HE1  TRP   2           HE1      TRP   2   4.725   7.364  -5.511
   17    HE3  TRP   2           HE3      TRP   2   5.991   2.953  -2.769
   18    HZ2  TRP   2           HZ2      TRP   2   7.287   6.373  -6.159
   19    HZ3  TRP   2           HZ3      TRP   2   8.171   2.859  -3.906
   20    HH2  TRP   2           HH2      TRP   2   8.803   4.534  -5.566
   21    H    TRP   3           H        TRP   3   4.326   1.618  -3.975
   22    HA   TRP   3           HA       TRP   3   4.092   2.781  -6.622
   23    HB2  TRP   3           2HB      TRP   3   6.194   1.683  -5.213
   24    HB3  TRP   3           3HB      TRP   3   5.790   0.410  -6.362
   25    HD1  TRP   3           HD1      TRP   3   5.523   4.148  -7.223
   26    HE1  TRP   3           HE1      TRP   3   7.202   4.669  -9.103
   27    HE3  TRP   3           HE3      TRP   3   7.917  -0.364  -7.445
   28    HZ2  TRP   3           HZ2      TRP   3   9.268   3.342 -10.496
   29    HZ3  TRP   3           HZ3      TRP   3   9.733  -0.656  -9.080
   30    HH2  TRP   3           HH2      TRP   3  10.392   1.159 -10.573
   31    H    LYS   4           H        LYS   4   2.013   0.981  -5.256
   32    HA   LYS   4           HA       LYS   4   1.841  -1.478  -6.549
   33    HB2  LYS   4           2HB      LYS   4   0.409  -0.654  -4.642
   34    HB3  LYS   4           3HB      LYS   4  -0.510   0.273  -5.820
   35    HG2  LYS   4           2HG      LYS   4  -1.818  -1.527  -5.934
   36    HG3  LYS   4           3HG      LYS   4  -0.532  -2.225  -6.922
   37    HD2  LYS   4           2HD      LYS   4  -0.812  -3.872  -5.341
   38    HD3  LYS   4           3HD      LYS   4   0.464  -2.907  -4.595
   39    HE2  LYS   4           2HE      LYS   4  -1.434  -1.646  -3.428
   40    HE3  LYS   4           3HE      LYS   4  -2.465  -2.984  -3.933
   41    HZ1  LYS   4           3HZ      LYS   4  -1.410  -3.115  -1.641
   42    HZ2  LYS   4           1HZ      LYS   4   0.044  -3.444  -2.439
   43    HZ3  LYS   4           2HZ      LYS   4  -1.277  -4.484  -2.625
   44    H    TYR   5           H        TYR   5   1.424   1.687  -7.792
   45    HA   TYR   5           HA       TYR   5  -0.366   1.263  -9.889
   46    HB2  TYR   5           2HB      TYR   5   2.040   3.084 -10.015
   47    HB3  TYR   5           3HB      TYR   5   0.512   3.262 -10.872
   48    HD1  TYR   5           HD2      TYR   5  -1.508   2.935  -8.853
   49    HD2  TYR   5           HD1      TYR   5   2.278   4.852  -8.548
   50    HE1  TYR   5           HE2      TYR   5  -2.372   4.338  -7.027
   51    HE2  TYR   5           HE1      TYR   5   1.425   6.260  -6.721
   52    HH   TYR   5           HH       TYR   5  -0.644   5.864  -4.906
   53    H    GLU   6           H        GLU   6   2.983   0.383  -9.542
   54    HA   GLU   6           HA       GLU   6   3.212  -0.341 -12.357
   55    HB2  GLU   6           2HB      GLU   6   5.330  -0.895 -10.312
   56    HB3  GLU   6           3HB      GLU   6   5.507  -0.532 -12.023
   57    HG2  GLU   6           2HG      GLU   6   4.380   1.761 -11.112
   58    HG3  GLU   6           3HG      GLU   6   5.340   1.266  -9.719
   59    H    ILE   7           H        ILE   7   1.835  -1.719  -9.775
   60    HA   ILE   7           HA       ILE   7   2.789  -4.435 -10.342
   61    HB   ILE   7           HB       ILE   7   1.316  -3.226  -8.029
   62   HG12  ILE   7          2HG1      ILE   7   3.799  -3.329  -8.045
   63   HG13  ILE   7          3HG1      ILE   7   3.087  -4.265  -6.736
   64   HG21  ILE   7          1HG2      ILE   7  -0.049  -5.056  -8.215
   65   HG22  ILE   7          2HG2      ILE   7   1.194  -6.042  -8.982
   66   HG23  ILE   7          3HG2      ILE   7   1.259  -5.735  -7.247
   67   HD11  ILE   7          3HD1      ILE   7   4.890  -5.507  -7.683
   68   HD12  ILE   7          1HD1      ILE   7   3.377  -6.303  -8.115
   69   HD13  ILE   7          2HD1      ILE   7   4.229  -5.321  -9.307
   70    H    THR   8           H        THR   8  -0.120  -2.445 -10.296
   71    HA   THR   8           HA       THR   8  -2.099  -4.286 -10.730
   72    HB   THR   8           HB       THR   8  -3.410  -2.579 -11.742
   73    HG1  THR   8           HG1      THR   8  -2.282  -0.603 -12.472
   74   HG21  THR   8          3HG2      THR   8  -3.182  -0.768 -10.212
   75   HG22  THR   8          1HG2      THR   8  -1.465  -1.092  -9.983
   76   HG23  THR   8          2HG2      THR   8  -2.666  -2.222  -9.358
   77    H    THR   9           H        THR   9   0.359  -3.212 -12.960
   78    HA   THR   9           HA       THR   9  -0.726  -3.990 -15.392
   79    HB   THR   9           HB       THR   9   1.294  -2.816 -15.538
   80    HG1  THR   9           HG1      THR   9   2.402  -4.103 -16.897
   81   HG21  THR   9          3HG2      THR   9   2.875  -2.918 -13.972
   82   HG22  THR   9          1HG2      THR   9   3.215  -4.602 -14.371
   83   HG23  THR   9          2HG2      THR   9   1.968  -4.210 -13.187
   84    H    ILE  10           H        ILE  10   1.345  -5.921 -13.223
   85    HA   ILE  10           HA       ILE  10   0.714  -8.328 -14.733
   86    HB   ILE  10           HB       ILE  10   2.414  -9.422 -13.542
   87   HG12  ILE  10          2HG1      ILE  10   1.520  -8.411 -11.305
   88   HG13  ILE  10          3HG1      ILE  10   3.212  -8.882 -11.426
   89   HG21  ILE  10          1HG2      ILE  10   4.331  -7.747 -13.560
   90   HG22  ILE  10          2HG2      ILE  10   3.435  -7.954 -15.064
   91   HG23  ILE  10          3HG2      ILE  10   3.131  -6.549 -14.043
   92   HD11  ILE  10          3HD1      ILE  10   2.608  -6.103 -12.172
   93   HD12  ILE  10          1HD1      ILE  10   2.372  -6.518 -10.474
   94   HD13  ILE  10          2HD1      ILE  10   3.944  -6.768 -11.233
   95    H    HIS  11           H        HIS  11  -0.252  -6.712 -11.848
   96    HA   HIS  11           HA       HIS  11  -1.150  -8.799 -10.255
   97    HB2  HIS  11           2HB      HIS  11  -1.095  -6.420  -9.562
   98    HB3  HIS  11           3HB      HIS  11  -2.469  -6.099 -10.617
   99    HD1  HIS  11           HD1      HIS  11  -2.129  -9.062  -8.288
  100    HD2  HIS  11           HD2      HIS  11  -4.371  -5.590  -8.717
  101    HE1  HIS  11           HE1      HIS  11  -3.931  -9.204  -6.539
  102    H    ASN  12           H        ASN  12  -2.337  -7.707 -13.277
  103    HA   ASN  12           HA       ASN  12  -5.016  -8.675 -12.988
  104    HB2  ASN  12           2HB      ASN  12  -3.391  -7.439 -15.111
  105    HB3  ASN  12           3HB      ASN  12  -4.611  -8.571 -15.687
  106   HD21  ASN  12          1HD2      ASN  12  -3.998  -5.444 -14.629
  107   HD22  ASN  12          2HD2      ASN  12  -5.631  -4.900 -14.483
  108    H    LEU  13           H        LEU  13  -1.993 -10.118 -13.630
  109    HA   LEU  13           HA       LEU  13  -3.332 -12.583 -14.533
  110    HB2  LEU  13           2HB      LEU  13  -1.510 -13.135 -15.869
  111    HB3  LEU  13           3HB      LEU  13  -1.731 -11.407 -16.138
  112    HG   LEU  13           HG       LEU  13   0.110 -11.516 -14.076
  113   HD11  LEU  13          1HD1      LEU  13   1.588 -13.206 -14.361
  114   HD12  LEU  13          2HD1      LEU  13   1.269 -13.346 -16.089
  115   HD13  LEU  13          3HD1      LEU  13   0.145 -14.047 -14.926
  116   HD21  LEU  13          3HD2      LEU  13   0.762 -11.351 -17.011
  117   HD22  LEU  13          1HD2      LEU  13   1.620 -10.600 -15.666
  118   HD23  LEU  13          2HD2      LEU  13   0.006 -10.039 -16.104
  119    H    PHE  14           H        PHE  14  -1.324 -11.092 -12.192
  120    HA   PHE  14           HA       PHE  14  -0.128 -13.496 -11.180
  121    HB2  PHE  14           2HB      PHE  14  -0.008 -10.641 -10.604
  122    HB3  PHE  14           3HB      PHE  14  -0.017 -11.617  -9.139
  123    HD1  PHE  14           HD2      PHE  14   1.761 -13.283  -8.751
  124    HD2  PHE  14           HD1      PHE  14   1.874 -10.592 -12.048
  125    HE1  PHE  14           HE2      PHE  14   4.158 -13.750  -9.046
  126    HE2  PHE  14           HE1      PHE  14   4.271 -11.056 -12.349
  127    HZ   PHE  14           HZ       PHE  14   5.417 -12.636 -10.846
  128    H    ARG  15           H        ARG  15  -3.086 -11.772 -10.667
  129    HA   ARG  15           HA       ARG  15  -3.810 -12.585  -8.119
  130    HB2  ARG  15           2HB      ARG  15  -6.100 -12.193  -8.777
  131    HB3  ARG  15           3HB      ARG  15  -5.075 -10.973  -9.521
  132    HG2  ARG  15           2HG      ARG  15  -6.324 -11.497 -11.327
  133    HG3  ARG  15           3HG      ARG  15  -5.094 -12.750 -11.505
  134    HD2  ARG  15           2HD      ARG  15  -6.597 -14.364 -11.212
  135    HD3  ARG  15           3HD      ARG  15  -7.194 -13.616  -9.731
  136    HE   ARG  15           HE       ARG  15  -8.308 -12.117 -11.698
  137   HH11  ARG  15          1HH1      ARG  15  -8.220 -15.530 -11.017
  138   HH12  ARG  15          2HH1      ARG  15  -9.764 -15.847 -11.737
  139   HH21  ARG  15          1HH2      ARG  15 -10.342 -12.521 -12.649
  140   HH22  ARG  15          2HH2      ARG  15 -10.969 -14.134 -12.666
  141    H    LYS  16           H        LYS  16  -3.829 -14.367 -11.128
  142    HA   LYS  16           HA       LYS  16  -5.465 -16.515 -10.374
  143    HB2  LYS  16           2HB      LYS  16  -4.872 -16.226 -12.681
  144    HB3  LYS  16           3HB      LYS  16  -3.157 -16.355 -12.315
  145    HG2  LYS  16           2HG      LYS  16  -4.745 -18.678 -11.504
  146    HG3  LYS  16           3HG      LYS  16  -4.710 -18.378 -13.243
  147    HD2  LYS  16           2HD      LYS  16  -2.147 -18.253 -11.735
  148    HD3  LYS  16           3HD      LYS  16  -2.856 -19.839 -12.052
  149    HE2  LYS  16           2HE      LYS  16  -1.720 -19.685 -13.988
  150    HE3  LYS  16           3HE      LYS  16  -3.086 -18.690 -14.490
  151    HZ1  LYS  16           3HZ      LYS  16  -1.737 -16.967 -14.716
  152    HZ2  LYS  16           1HZ      LYS  16  -0.414 -17.950 -14.335
  153    HZ3  LYS  16           2HZ      LYS  16  -1.213 -17.097 -13.113
  154    H    LEU  17           H        LEU  17  -2.197 -15.721  -9.548
  155    HA   LEU  17           HA       LEU  17  -1.679 -18.387  -8.480
  156    HB2  LEU  17           2HB      LEU  17   0.074 -17.195  -9.747
  157    HB3  LEU  17           3HB      LEU  17   0.081 -15.939  -8.510
  158    HG   LEU  17           HG       LEU  17   0.521 -18.411  -7.202
  159   HD11  LEU  17          1HD1      LEU  17   2.276 -18.018  -9.621
  160   HD12  LEU  17          2HD1      LEU  17   1.169 -19.360  -9.336
  161   HD13  LEU  17          3HD1      LEU  17   2.584 -19.152  -8.305
  162   HD21  LEU  17          3HD2      LEU  17   2.510 -17.358  -6.461
  163   HD22  LEU  17          1HD2      LEU  17   1.302 -16.084  -6.633
  164   HD23  LEU  17          2HD2      LEU  17   2.550 -16.288  -7.863
  165    H    THR  18           H        THR  18  -2.413 -15.142  -7.433
  166    HA   THR  18           HA       THR  18  -1.699 -15.399  -4.718
  167    HB   THR  18           HB       THR  18  -3.120 -13.467  -4.305
  168    HG1  THR  18           HG1      THR  18  -4.909 -13.479  -5.455
  169   HG21  THR  18          3HG2      THR  18  -2.208 -11.931  -6.084
  170   HG22  THR  18          1HG2      THR  18  -1.555 -13.363  -6.879
  171   HG23  THR  18          2HG2      THR  18  -1.006 -12.925  -5.261
  172    H    HIS  19           H        HIS  19  -4.639 -16.192  -6.488
  173    HA   HIS  19           HA       HIS  19  -6.307 -16.676  -4.275
  174    HB2  HIS  19           2HB      HIS  19  -7.074 -16.428  -6.644
  175    HB3  HIS  19           3HB      HIS  19  -6.429 -18.033  -6.976
  176    HD1  HIS  19           HD1      HIS  19  -8.053 -17.678  -3.693
  177    HD2  HIS  19           HD2      HIS  19  -9.150 -18.761  -7.551
  178    HE1  HIS  19           HE1      HIS  19 -10.290 -18.804  -3.465
  179    H    ARG  20           H        ARG  20  -3.769 -18.533  -5.717
  180    HA   ARG  20           HA       ARG  20  -4.524 -20.893  -4.139
  181    HB2  ARG  20           2HB      ARG  20  -3.029 -22.163  -5.551
  182    HB3  ARG  20           3HB      ARG  20  -4.120 -21.226  -6.562
  183    HG2  ARG  20           2HG      ARG  20  -2.407 -19.642  -7.066
  184    HG3  ARG  20           3HG      ARG  20  -1.318 -20.368  -5.882
  185    HD2  ARG  20           2HD      ARG  20  -2.312 -21.599  -8.448
  186    HD3  ARG  20           3HD      ARG  20  -0.665 -21.090  -8.078
  187    HE   ARG  20           HE       ARG  20  -1.208 -22.927  -6.160
  188   HH11  ARG  20          1HH1      ARG  20  -1.409 -22.937  -9.635
  189   HH12  ARG  20          2HH1      ARG  20  -1.088 -24.634  -9.779
  190   HH21  ARG  20          1HH2      ARG  20  -0.784 -25.162  -6.336
  191   HH22  ARG  20          2HH2      ARG  20  -0.733 -25.898  -7.902
  192    H    LEU  21           H        LEU  21  -2.504 -18.224  -4.062
  193    HA   LEU  21           HA       LEU  21  -0.391 -19.555  -2.548
  194    HB2  LEU  21           2HB      LEU  21   0.630 -18.056  -3.934
  195    HB3  LEU  21           3HB      LEU  21  -0.715 -16.918  -3.872
  196    HG   LEU  21           HG       LEU  21   0.005 -16.210  -1.632
  197   HD11  LEU  21          1HD1      LEU  21   2.654 -17.241  -1.618
  198   HD12  LEU  21          2HD1      LEU  21   1.529 -18.593  -1.745
  199   HD13  LEU  21          3HD1      LEU  21   1.381 -17.445  -0.414
  200   HD21  LEU  21          3HD2      LEU  21   2.174 -16.091  -3.725
  201   HD22  LEU  21          1HD2      LEU  21   2.027 -15.023  -2.329
  202   HD23  LEU  21          2HD2      LEU  21   0.796 -14.998  -3.591
  203    H    PHE  22           H        PHE  22  -3.041 -17.296  -2.133
  204    HA   PHE  22           HA       PHE  22  -2.366 -16.853   0.663
  205    HB2  PHE  22           2HB      PHE  22  -4.429 -15.718  -1.203
  206    HB3  PHE  22           3HB      PHE  22  -4.568 -15.486   0.536
  207    HD1  PHE  22           HD2      PHE  22  -2.793 -14.253   1.757
  208    HD2  PHE  22           HD1      PHE  22  -2.885 -14.481  -2.492
  209    HE1  PHE  22           HE2      PHE  22  -1.258 -12.335   1.625
  210    HE2  PHE  22           HE1      PHE  22  -1.349 -12.564  -2.631
  211    HZ   PHE  22           HZ       PHE  22  -0.535 -11.487  -0.571
  212    H    ARG  23           H        ARG  23  -4.505 -18.760  -1.282
  213    HA   ARG  23           HA       ARG  23  -6.061 -19.567   1.065
  214    HB2  ARG  23           2HB      ARG  23  -6.510 -20.389  -1.804
  215    HB3  ARG  23           3HB      ARG  23  -7.634 -20.534  -0.459
  216    HG2  ARG  23           2HG      ARG  23  -6.652 -17.919  -1.578
  217    HG3  ARG  23           3HG      ARG  23  -8.173 -18.695  -2.023
  218    HD2  ARG  23           2HD      ARG  23  -8.854 -18.619   0.357
  219    HD3  ARG  23           3HD      ARG  23  -7.371 -17.738   0.722
  220    HE   ARG  23           HE       ARG  23  -8.778 -16.405  -1.319
  221   HH11  ARG  23          1HH1      ARG  23  -8.959 -17.079   2.092
  222   HH12  ARG  23          2HH1      ARG  23  -9.845 -15.638   2.462
  223   HH21  ARG  23          1HH2      ARG  23  -9.945 -14.504  -0.844
  224   HH22  ARG  23          2HH2      ARG  23 -10.406 -14.174   0.792
  225    H    ARG  24           H        ARG  24  -3.640 -20.691  -1.144
  226    HA   ARG  24           HA       ARG  24  -3.444 -23.180   0.384
  227    HB2  ARG  24           2HB      ARG  24  -4.025 -22.923  -2.506
  228    HB3  ARG  24           3HB      ARG  24  -2.802 -24.110  -2.072
  229    HG2  ARG  24           2HG      ARG  24  -4.316 -25.536  -1.278
  230    HG3  ARG  24           3HG      ARG  24  -5.173 -24.270  -0.396
  231    HD2  ARG  24           2HD      ARG  24  -6.461 -23.687  -2.275
  232    HD3  ARG  24           3HD      ARG  24  -5.400 -24.564  -3.376
  233    HE   ARG  24           HE       ARG  24  -6.459 -26.416  -1.593
  234   HH11  ARG  24          1HH1      ARG  24  -7.585 -24.257  -4.081
  235   HH12  ARG  24          2HH1      ARG  24  -8.936 -25.252  -4.514
  236   HH21  ARG  24          1HH2      ARG  24  -8.234 -27.734  -2.154
  237   HH22  ARG  24          2HH2      ARG  24  -9.305 -27.229  -3.416
  Start of MODEL   13
    1    H1   TRP   1           H        TRP   1   1.522   0.455   0.715
    2    HA   TRP   1           HA       TRP   1   3.123   0.006  -1.023
    3    HB2  TRP   1           2HB      TRP   1   1.609  -2.246  -1.331
    4    HB3  TRP   1           3HB      TRP   1   1.175  -1.338  -2.777
    5    HD1  TRP   1           HD1      TRP   1   2.576  -2.203  -4.727
    6    HE1  TRP   1           HE1      TRP   1   5.033  -2.878  -5.085
    7    HE3  TRP   1           HE3      TRP   1   4.287  -1.607   0.054
    8    HZ2  TRP   1           HZ2      TRP   1   7.386  -3.125  -3.545
    9    HZ3  TRP   1           HZ3      TRP   1   6.653  -2.084   0.527
   10    HH2  TRP   1           HH2      TRP   1   8.169  -2.828  -1.236
   11    H    TRP   2           H        TRP   2   3.253   2.018  -1.777
   12    HA   TRP   2           HA       TRP   2   0.915   3.298  -2.956
   13    HB2  TRP   2           2HB      TRP   2   1.803   5.136  -2.047
   14    HB3  TRP   2           3HB      TRP   2   3.196   4.201  -1.509
   15    HD1  TRP   2           HD1      TRP   2   2.163   6.822  -4.001
   16    HE1  TRP   2           HE1      TRP   2   4.205   7.541  -5.393
   17    HE3  TRP   2           HE3      TRP   2   5.458   3.195  -2.542
   18    HZ2  TRP   2           HZ2      TRP   2   6.861   6.684  -5.817
   19    HZ3  TRP   2           HZ3      TRP   2   7.729   3.216  -3.488
   20    HH2  TRP   2           HH2      TRP   2   8.414   4.924  -5.092
   21    H    TRP   3           H        TRP   3   3.883   1.806  -3.901
   22    HA   TRP   3           HA       TRP   3   3.852   2.965  -6.561
   23    HB2  TRP   3           2HB      TRP   3   5.866   1.997  -4.970
   24    HB3  TRP   3           3HB      TRP   3   5.619   0.666  -6.097
   25    HD1  TRP   3           HD1      TRP   3   5.385   4.420  -6.984
   26    HE1  TRP   3           HE1      TRP   3   7.149   4.926  -8.789
   27    HE3  TRP   3           HE3      TRP   3   7.696  -0.137  -7.161
   28    HZ2  TRP   3           HZ2      TRP   3   9.242   3.573 -10.113
   29    HZ3  TRP   3           HZ3      TRP   3   9.571  -0.448  -8.724
   30    HH2  TRP   3           HH2      TRP   3  10.326   1.369 -10.169
   31    H    LYS   4           H        LYS   4   1.684   1.152  -5.465
   32    HA   LYS   4           HA       LYS   4   1.737  -1.348  -6.694
   33    HB2  LYS   4           2HB      LYS   4   0.018  -0.236  -5.041
   34    HB3  LYS   4           3HB      LYS   4  -0.822   0.194  -6.526
   35    HG2  LYS   4           2HG      LYS   4  -0.938  -2.158  -7.154
   36    HG3  LYS   4           3HG      LYS   4  -0.073  -2.599  -5.680
   37    HD2  LYS   4           2HD      LYS   4  -2.274  -0.955  -4.954
   38    HD3  LYS   4           3HD      LYS   4  -2.864  -2.206  -6.051
   39    HE2  LYS   4           2HE      LYS   4  -1.490  -3.817  -4.565
   40    HE3  LYS   4           3HE      LYS   4  -1.516  -2.502  -3.391
   41    HZ1  LYS   4           3HZ      LYS   4  -3.385  -4.340  -3.469
   42    HZ2  LYS   4           1HZ      LYS   4  -4.059  -3.276  -4.599
   43    HZ3  LYS   4           2HZ      LYS   4  -3.727  -2.742  -3.030
   44    H    TYR   5           H        TYR   5   1.427   1.772  -8.070
   45    HA   TYR   5           HA       TYR   5  -0.068   1.257 -10.367
   46    HB2  TYR   5           2HB      TYR   5   2.302   3.122 -10.231
   47    HB3  TYR   5           3HB      TYR   5   0.900   3.246 -11.287
   48    HD1  TYR   5           HD2      TYR   5  -1.358   2.910  -9.522
   49    HD2  TYR   5           HD1      TYR   5   2.307   4.955  -8.820
   50    HE1  TYR   5           HE2      TYR   5  -2.481   4.344  -7.869
   51    HE2  TYR   5           HE1      TYR   5   1.194   6.393  -7.164
   52    HH   TYR   5           HH       TYR   5  -0.675   6.735  -5.982
   53    H    GLU   6           H        GLU   6   3.192   0.399  -9.546
   54    HA   GLU   6           HA       GLU   6   3.814  -0.369 -12.293
   55    HB2  GLU   6           2HB      GLU   6   5.624  -0.821  -9.942
   56    HB3  GLU   6           3HB      GLU   6   6.049  -0.568 -11.629
   57    HG2  GLU   6           2HG      GLU   6   4.914   1.524  -9.786
   58    HG3  GLU   6           3HG      GLU   6   6.613   1.353 -10.222
   59    H    ILE   7           H        ILE   7   2.280  -1.707  -9.688
   60    HA   ILE   7           HA       ILE   7   3.213  -4.432 -10.256
   61    HB   ILE   7           HB       ILE   7   1.738  -3.224  -7.939
   62   HG12  ILE   7          2HG1      ILE   7   4.220  -3.289  -7.950
   63   HG13  ILE   7          3HG1      ILE   7   3.522  -4.241  -6.645
   64   HG21  ILE   7          1HG2      ILE   7   0.401  -5.098  -8.239
   65   HG22  ILE   7          2HG2      ILE   7   1.742  -6.083  -8.821
   66   HG23  ILE   7          3HG2      ILE   7   1.631  -5.668  -7.111
   67   HD11  ILE   7          3HD1      ILE   7   3.845  -6.269  -8.033
   68   HD12  ILE   7          1HD1      ILE   7   4.682  -5.269  -9.220
   69   HD13  ILE   7          2HD1      ILE   7   5.345  -5.452  -7.595
   70    H    THR   8           H        THR   8   0.323  -2.414 -10.197
   71    HA   THR   8           HA       THR   8  -1.671  -4.244 -10.632
   72    HB   THR   8           HB       THR   8  -2.019  -1.790 -10.383
   73    HG1  THR   8           HG1      THR   8  -3.912  -1.945 -11.411
   74   HG21  THR   8          3HG2      THR   8  -0.247  -1.396 -12.303
   75   HG22  THR   8          1HG2      THR   8  -1.569  -0.261 -12.034
   76   HG23  THR   8          2HG2      THR   8  -1.683  -1.458 -13.324
   77    H    THR   9           H        THR   9   0.841  -3.261 -12.812
   78    HA   THR   9           HA       THR   9  -0.257  -3.947 -15.275
   79    HB   THR   9           HB       THR   9   1.813  -2.846 -15.366
   80    HG1  THR   9           HG1      THR   9   2.800  -4.114 -16.801
   81   HG21  THR   9          3HG2      THR   9   3.643  -4.752 -14.243
   82   HG22  THR   9          1HG2      THR   9   2.410  -4.334 -13.054
   83   HG23  THR   9          2HG2      THR   9   3.382  -3.065 -13.799
   84    H    ILE  10           H        ILE  10   1.638  -5.983 -13.049
   85    HA   ILE  10           HA       ILE  10   0.898  -8.347 -14.603
   86    HB   ILE  10           HB       ILE  10   2.596  -9.529 -13.492
   87   HG12  ILE  10          2HG1      ILE  10   1.860  -8.516 -11.212
   88   HG13  ILE  10          3HG1      ILE  10   3.534  -9.019 -11.419
   89   HG21  ILE  10          1HG2      ILE  10   4.581  -7.907 -13.565
   90   HG22  ILE  10          2HG2      ILE  10   3.646  -8.135 -15.042
   91   HG23  ILE  10          3HG2      ILE  10   3.397  -6.695 -14.055
   92   HD11  ILE  10          3HD1      ILE  10   2.711  -6.607 -10.464
   93   HD12  ILE  10          1HD1      ILE  10   4.302  -6.946 -11.143
   94   HD13  ILE  10          2HD1      ILE  10   3.043  -6.241 -12.156
   95    H    HIS  11           H        HIS  11   0.119  -6.707 -11.681
   96    HA   HIS  11           HA       HIS  11  -0.795  -8.762 -10.054
   97    HB2  HIS  11           2HB      HIS  11  -0.614  -6.376  -9.378
   98    HB3  HIS  11           3HB      HIS  11  -2.037  -6.019 -10.352
   99    HD1  HIS  11           HD1      HIS  11  -2.082  -9.180  -8.421
  100    HD2  HIS  11           HD2      HIS  11  -3.372  -5.258  -7.961
  101    HE1  HIS  11           HE1      HIS  11  -3.671  -9.219  -6.472
  102    H    ASN  12           H        ASN  12  -2.065  -7.604 -13.020
  103    HA   ASN  12           HA       ASN  12  -4.764  -8.479 -12.619
  104    HB2  ASN  12           2HB      ASN  12  -3.171  -7.430 -14.914
  105    HB3  ASN  12           3HB      ASN  12  -4.658  -8.305 -15.267
  106   HD21  ASN  12          1HD2      ASN  12  -3.584  -5.899 -12.884
  107   HD22  ASN  12          2HD2      ASN  12  -4.933  -4.841 -13.096
  108    H    LEU  13           H        LEU  13  -1.834 -10.035 -13.345
  109    HA   LEU  13           HA       LEU  13  -3.290 -12.426 -14.267
  110    HB2  LEU  13           2HB      LEU  13  -1.969 -12.293 -16.057
  111    HB3  LEU  13           3HB      LEU  13  -0.923 -11.097 -15.296
  112    HG   LEU  13           HG       LEU  13  -0.656 -13.987 -14.572
  113   HD11  LEU  13          1HD1      LEU  13   0.665 -14.500 -16.400
  114   HD12  LEU  13          2HD1      LEU  13   0.913 -12.807 -16.828
  115   HD13  LEU  13          3HD1      LEU  13  -0.647 -13.572 -17.128
  116   HD21  LEU  13          3HD2      LEU  13   0.981 -13.135 -13.340
  117   HD22  LEU  13          1HD2      LEU  13   0.710 -11.529 -14.017
  118   HD23  LEU  13          2HD2      LEU  13   1.804 -12.653 -14.824
  119    H    PHE  14           H        PHE  14  -1.056 -11.071 -12.009
  120    HA   PHE  14           HA       PHE  14  -0.022 -13.553 -11.029
  121    HB2  PHE  14           2HB      PHE  14   0.281 -10.705 -10.409
  122    HB3  PHE  14           3HB      PHE  14   0.342 -11.741  -8.987
  123    HD1  PHE  14           HD1      PHE  14   2.066 -13.496  -8.810
  124    HD2  PHE  14           HD2      PHE  14   2.046 -10.670 -11.993
  125    HE1  PHE  14           HE1      PHE  14   4.410 -14.051  -9.313
  126    HE2  PHE  14           HE2      PHE  14   4.390 -11.221 -12.501
  127    HZ   PHE  14           HZ       PHE  14   5.575 -12.913 -11.161
  128    H    ARG  15           H        ARG  15  -2.832 -11.630 -10.409
  129    HA   ARG  15           HA       ARG  15  -3.513 -12.398  -7.833
  130    HB2  ARG  15           2HB      ARG  15  -5.819 -11.887  -8.438
  131    HB3  ARG  15           3HB      ARG  15  -4.725 -10.687  -9.113
  132    HG2  ARG  15           2HG      ARG  15  -5.886 -11.017 -10.995
  133    HG3  ARG  15           3HG      ARG  15  -4.881 -12.458 -11.160
  134    HD2  ARG  15           2HD      ARG  15  -6.569 -13.873 -10.561
  135    HD3  ARG  15           3HD      ARG  15  -7.353 -12.675  -9.532
  136    HE   ARG  15           HE       ARG  15  -7.535 -11.871 -12.225
  137   HH11  ARG  15          1HH1      ARG  15  -8.800 -14.248 -10.019
  138   HH12  ARG  15          2HH1      ARG  15 -10.303 -14.424 -10.864
  139   HH21  ARG  15          1HH2      ARG  15  -9.509 -12.093 -13.346
  140   HH22  ARG  15          2HH2      ARG  15 -10.705 -13.198 -12.757
  141    H    LYS  16           H        LYS  16  -3.722 -14.174 -10.828
  142    HA   LYS  16           HA       LYS  16  -5.484 -16.209  -9.974
  143    HB2  LYS  16           2HB      LYS  16  -4.791 -15.685 -12.354
  144    HB3  LYS  16           3HB      LYS  16  -3.278 -16.514 -12.012
  145    HG2  LYS  16           2HG      LYS  16  -5.000 -18.407 -11.226
  146    HG3  LYS  16           3HG      LYS  16  -5.983 -17.603 -12.452
  147    HD2  LYS  16           2HD      LYS  16  -4.318 -17.970 -14.128
  148    HD3  LYS  16           3HD      LYS  16  -3.160 -18.546 -12.927
  149    HE2  LYS  16           2HE      LYS  16  -3.963 -20.620 -13.041
  150    HE3  LYS  16           3HE      LYS  16  -5.618 -20.055 -12.812
  151    HZ1  LYS  16           3HZ      LYS  16  -5.777 -19.606 -15.161
  152    HZ2  LYS  16           1HZ      LYS  16  -5.309 -21.215 -14.928
  153    HZ3  LYS  16           2HZ      LYS  16  -4.166 -20.062 -15.403
  154    H    LEU  17           H        LEU  17  -2.093 -15.656  -9.471
  155    HA   LEU  17           HA       LEU  17  -1.607 -18.360  -8.535
  156    HB2  LEU  17           2HB      LEU  17   0.139 -17.226  -9.773
  157    HB3  LEU  17           3HB      LEU  17   0.150 -15.911  -8.598
  158    HG   LEU  17           HG       LEU  17   0.671 -18.165  -7.075
  159   HD11  LEU  17          1HD1      LEU  17   2.585 -18.353  -9.341
  160   HD12  LEU  17          2HD1      LEU  17   1.031 -19.173  -9.481
  161   HD13  LEU  17          3HD1      LEU  17   2.118 -19.566  -8.149
  162   HD21  LEU  17          3HD2      LEU  17   2.002 -16.498  -6.406
  163   HD22  LEU  17          1HD2      LEU  17   2.060 -15.775  -8.014
  164   HD23  LEU  17          2HD2      LEU  17   3.142 -17.107  -7.607
  165    H    THR  18           H        THR  18  -2.190 -15.169  -7.231
  166    HA   THR  18           HA       THR  18  -1.381 -15.652  -4.575
  167    HB   THR  18           HB       THR  18  -2.703 -13.702  -3.963
  168    HG1  THR  18           HG1      THR  18  -4.477 -13.338  -5.043
  169   HG21  THR  18          3HG2      THR  18  -1.802 -12.077  -5.672
  170   HG22  THR  18          1HG2      THR  18  -1.234 -13.474  -6.586
  171   HG23  THR  18          2HG2      THR  18  -0.610 -13.167  -4.965
  172    H    HIS  19           H        HIS  19  -4.419 -16.198  -6.270
  173    HA   HIS  19           HA       HIS  19  -6.016 -16.780  -4.030
  174    HB2  HIS  19           2HB      HIS  19  -6.194 -17.198  -6.950
  175    HB3  HIS  19           3HB      HIS  19  -7.157 -18.296  -5.967
  176    HD1  HIS  19           HD1      HIS  19  -8.382 -16.632  -3.879
  177    HD2  HIS  19           HD2      HIS  19  -7.805 -15.187  -7.732
  178    HE1  HIS  19           HE1      HIS  19 -10.020 -14.742  -4.141
  179    H    ARG  20           H        ARG  20  -3.618 -18.623  -5.709
  180    HA   ARG  20           HA       ARG  20  -4.408 -21.061  -4.274
  181    HB2  ARG  20           2HB      ARG  20  -3.023 -22.281  -5.835
  182    HB3  ARG  20           3HB      ARG  20  -4.112 -21.229  -6.730
  183    HG2  ARG  20           2HG      ARG  20  -2.355 -19.681  -7.190
  184    HG3  ARG  20           3HG      ARG  20  -1.253 -20.533  -6.107
  185    HD2  ARG  20           2HD      ARG  20  -2.398 -21.539  -8.707
  186    HD3  ARG  20           3HD      ARG  20  -0.719 -21.113  -8.378
  187    HE   ARG  20           HE       ARG  20  -1.328 -23.077  -6.566
  188   HH11  ARG  20          1HH1      ARG  20  -1.371 -22.780 -10.034
  189   HH12  ARG  20          2HH1      ARG  20  -1.045 -24.459 -10.312
  190   HH21  ARG  20          1HH2      ARG  20  -0.898 -25.289  -6.919
  191   HH22  ARG  20          2HH2      ARG  20  -0.777 -25.885  -8.540
  192    H    LEU  21           H        LEU  21  -2.276 -18.484  -4.090
  193    HA   LEU  21           HA       LEU  21  -0.163 -20.005  -2.767
  194    HB2  LEU  21           2HB      LEU  21   0.864 -18.447  -4.082
  195    HB3  LEU  21           3HB      LEU  21  -0.429 -17.266  -3.881
  196    HG   LEU  21           HG       LEU  21   0.407 -16.755  -1.627
  197   HD11  LEU  21          1HD1      LEU  21   1.848 -18.056  -0.557
  198   HD12  LEU  21          2HD1      LEU  21   3.009 -17.944  -1.880
  199   HD13  LEU  21          3HD1      LEU  21   1.759 -19.188  -1.907
  200   HD21  LEU  21          3HD2      LEU  21   1.234 -15.654  -3.805
  201   HD22  LEU  21          1HD2      LEU  21   2.724 -16.552  -3.516
  202   HD23  LEU  21          2HD2      LEU  21   2.153 -15.384  -2.323
  203    H    PHE  22           H        PHE  22  -2.701 -17.685  -2.078
  204    HA   PHE  22           HA       PHE  22  -1.899 -17.479   0.714
  205    HB2  PHE  22           2HB      PHE  22  -3.981 -16.122  -0.976
  206    HB3  PHE  22           3HB      PHE  22  -4.039 -16.014   0.780
  207    HD1  PHE  22           HD2      PHE  22  -2.161 -14.952   2.009
  208    HD2  PHE  22           HD1      PHE  22  -2.436 -14.858  -2.238
  209    HE1  PHE  22           HE2      PHE  22  -0.548 -13.096   1.949
  210    HE2  PHE  22           HE1      PHE  22  -0.822 -13.002  -2.305
  211    HZ   PHE  22           HZ       PHE  22   0.123 -12.118  -0.210
  212    H    ARG  23           H        ARG  23  -4.222 -19.114  -1.279
  213    HA   ARG  23           HA       ARG  23  -5.698 -20.052   1.071
  214    HB2  ARG  23           2HB      ARG  23  -6.342 -20.609  -1.823
  215    HB3  ARG  23           3HB      ARG  23  -7.402 -20.784  -0.431
  216    HG2  ARG  23           2HG      ARG  23  -6.321 -18.171  -1.464
  217    HG3  ARG  23           3HG      ARG  23  -7.933 -18.811  -1.792
  218    HD2  ARG  23           2HD      ARG  23  -7.794 -18.959   0.935
  219    HD3  ARG  23           3HD      ARG  23  -6.877 -17.492   0.597
  220    HE   ARG  23           HE       ARG  23  -9.374 -17.593  -0.802
  221   HH11  ARG  23          1HH1      ARG  23  -7.850 -16.806   2.228
  222   HH12  ARG  23          2HH1      ARG  23  -9.079 -15.681   2.703
  223   HH21  ARG  23          1HH2      ARG  23 -10.999 -16.115  -0.187
  224   HH22  ARG  23          2HH2      ARG  23 -10.870 -15.290   1.329
  225    H    ARG  24           H        ARG  24  -3.467 -21.094  -1.372
  226    HA   ARG  24           HA       ARG  24  -3.427 -23.762  -0.139
  227    HB2  ARG  24           2HB      ARG  24  -3.897 -23.055  -2.953
  228    HB3  ARG  24           3HB      ARG  24  -2.660 -24.281  -2.714
  229    HG2  ARG  24           2HG      ARG  24  -4.215 -25.823  -2.420
  230    HG3  ARG  24           3HG      ARG  24  -4.892 -24.914  -1.067
  231    HD2  ARG  24           2HD      ARG  24  -6.090 -23.504  -2.800
  232    HD3  ARG  24           3HD      ARG  24  -5.605 -24.719  -3.982
  233    HE   ARG  24           HE       ARG  24  -6.813 -26.167  -2.031
  234   HH11  ARG  24          1HH1      ARG  24  -7.754 -23.404  -3.928
  235   HH12  ARG  24          2HH1      ARG  24  -9.441 -23.796  -3.901
  236   HH21  ARG  24          1HH2      ARG  24  -9.031 -26.694  -1.987
  237   HH22  ARG  24          2HH2      ARG  24 -10.167 -25.667  -2.795
  Start of MODEL   14
    1    H1   TRP   1           H        TRP   1   0.861   0.685   0.742
    2    HA   TRP   1           HA       TRP   1   2.361   0.528  -0.976
    3    HB2  TRP   1           2HB      TRP   1   0.879  -1.739  -1.329
    4    HB3  TRP   1           3HB      TRP   1   0.614  -0.910  -2.861
    5    HD1  TRP   1           HD1      TRP   1   2.217  -1.880  -4.593
    6    HE1  TRP   1           HE1      TRP   1   4.696  -2.570  -4.639
    7    HE3  TRP   1           HE3      TRP   1   3.390  -1.019   0.308
    8    HZ2  TRP   1           HZ2      TRP   1   6.862  -2.729  -2.836
    9    HZ3  TRP   1           HZ3      TRP   1   5.688  -1.467   1.067
   10    HH2  TRP   1           HH2      TRP   1   7.386  -2.304  -0.474
   11    H    TRP   2           H        TRP   2   2.583   2.498  -1.817
   12    HA   TRP   2           HA       TRP   2   0.397   3.709  -3.314
   13    HB2  TRP   2           2HB      TRP   2   1.188   5.595  -2.413
   14    HB3  TRP   2           3HB      TRP   2   2.507   4.691  -1.674
   15    HD1  TRP   2           HD1      TRP   2   1.772   7.174  -4.401
   16    HE1  TRP   2           HE1      TRP   2   3.960   7.818  -5.594
   17    HE3  TRP   2           HE3      TRP   2   4.864   3.633  -2.393
   18    HZ2  TRP   2           HZ2      TRP   2   6.642   6.941  -5.673
   19    HZ3  TRP   2           HZ3      TRP   2   7.227   3.604  -3.080
   20    HH2  TRP   2           HH2      TRP   2   8.095   5.224  -4.687
   21    H    TRP   3           H        TRP   3   3.444   2.171  -3.843
   22    HA   TRP   3           HA       TRP   3   3.713   3.187  -6.549
   23    HB2  TRP   3           2HB      TRP   3   5.534   2.306  -4.695
   24    HB3  TRP   3           3HB      TRP   3   5.406   0.917  -5.769
   25    HD1  TRP   3           HD1      TRP   3   5.295   4.619  -6.874
   26    HE1  TRP   3           HE1      TRP   3   7.249   5.027  -8.498
   27    HE3  TRP   3           HE3      TRP   3   7.580   0.057  -6.556
   28    HZ2  TRP   3           HZ2      TRP   3   9.466   3.603  -9.511
   29    HZ3  TRP   3           HZ3      TRP   3   9.613  -0.339  -7.885
   30    HH2  TRP   3           HH2      TRP   3  10.534   1.399  -9.332
   31    H    LYS   4           H        LYS   4   1.428   1.433  -5.605
   32    HA   LYS   4           HA       LYS   4   1.603  -1.129  -6.685
   33    HB2  LYS   4           2HB      LYS   4  -0.263  -0.086  -5.261
   34    HB3  LYS   4           3HB      LYS   4  -0.909   0.529  -6.776
   35    HG2  LYS   4           2HG      LYS   4  -1.610  -1.508  -7.467
   36    HG3  LYS   4           3HG      LYS   4  -0.282  -2.358  -6.673
   37    HD2  LYS   4           2HD      LYS   4  -1.915  -3.004  -5.251
   38    HD3  LYS   4           3HD      LYS   4  -1.600  -1.430  -4.516
   39    HE2  LYS   4           2HE      LYS   4  -3.829  -1.178  -4.770
   40    HE3  LYS   4           3HE      LYS   4  -3.372  -0.713  -6.408
   41    HZ1  LYS   4           3HZ      LYS   4  -5.193  -2.506  -6.011
   42    HZ2  LYS   4           1HZ      LYS   4  -3.872  -3.545  -5.816
   43    HZ3  LYS   4           2HZ      LYS   4  -4.075  -2.699  -7.266
   44    H    TYR   5           H        TYR   5   1.465   1.912  -8.252
   45    HA   TYR   5           HA       TYR   5   0.233   1.273 -10.671
   46    HB2  TYR   5           2HB      TYR   5   2.582   3.146 -10.372
   47    HB3  TYR   5           3HB      TYR   5   1.305   3.211 -11.582
   48    HD1  TYR   5           HD2      TYR   5  -1.137   2.972 -10.069
   49    HD2  TYR   5           HD1      TYR   5   2.439   5.046  -9.063
   50    HE1  TYR   5           HE2      TYR   5  -2.430   4.491  -8.630
   51    HE2  TYR   5           HE1      TYR   5   1.156   6.570  -7.620
   52    HH   TYR   5           HH       TYR   5  -1.633   6.034  -6.400
   53    H    GLU   6           H        GLU   6   3.367   0.449  -9.441
   54    HA   GLU   6           HA       GLU   6   4.291  -0.459 -12.058
   55    HB2  GLU   6           2HB      GLU   6   5.826  -0.780  -9.498
   56    HB3  GLU   6           3HB      GLU   6   6.437  -0.622 -11.138
   57    HG2  GLU   6           2HG      GLU   6   5.115   1.569  -9.554
   58    HG3  GLU   6           3HG      GLU   6   6.852   1.375  -9.786
   59    H    ILE   7           H        ILE   7   2.473  -1.656  -9.569
   60    HA   ILE   7           HA       ILE   7   3.447  -4.407  -9.884
   61    HB   ILE   7           HB       ILE   7   1.734  -3.076  -7.811
   62   HG12  ILE   7          2HG1      ILE   7   4.203  -3.138  -7.547
   63   HG13  ILE   7          3HG1      ILE   7   3.363  -4.019  -6.276
   64   HG21  ILE   7          1HG2      ILE   7   0.430  -4.966  -8.152
   65   HG22  ILE   7          2HG2      ILE   7   1.822  -5.979  -8.532
   66   HG23  ILE   7          3HG2      ILE   7   1.528  -5.472  -6.868
   67   HD11  ILE   7          3HD1      ILE   7   3.826  -6.119  -7.509
   68   HD12  ILE   7          1HD1      ILE   7   4.792  -5.183  -8.650
   69   HD13  ILE   7          2HD1      ILE   7   5.273  -5.276  -6.956
   70    H    THR   8           H        THR   8   0.585  -2.386 -10.258
   71    HA   THR   8           HA       THR   8  -1.362  -4.240 -10.807
   72    HB   THR   8           HB       THR   8  -1.715  -1.772 -10.727
   73    HG1  THR   8           HG1      THR   8  -3.518  -2.538 -11.547
   74   HG21  THR   8          3HG2      THR   8  -1.119  -1.574 -13.629
   75   HG22  THR   8          1HG2      THR   8   0.244  -1.525 -12.513
   76   HG23  THR   8          2HG2      THR   8  -1.052  -0.337 -12.374
   77    H    THR   9           H        THR   9   1.384  -3.382 -12.741
   78    HA   THR   9           HA       THR   9   0.556  -4.194 -15.272
   79    HB   THR   9           HB       THR   9   2.629  -3.096 -15.191
   80    HG1  THR   9           HG1      THR   9   3.985  -4.564 -16.228
   81   HG21  THR   9          3HG2      THR   9   2.963  -4.465 -12.757
   82   HG22  THR   9          1HG2      THR   9   4.018  -3.237 -13.454
   83   HG23  THR   9          2HG2      THR   9   4.315  -4.944 -13.781
   84    H    ILE  10           H        ILE  10   2.180  -6.107 -12.744
   85    HA   ILE  10           HA       ILE  10   1.605  -8.551 -14.245
   86    HB   ILE  10           HB       ILE  10   3.164  -9.671 -12.893
   87   HG12  ILE  10          2HG1      ILE  10   2.190  -8.540 -10.764
   88   HG13  ILE  10          3HG1      ILE  10   3.875  -9.048 -10.760
   89   HG21  ILE  10          1HG2      ILE  10   5.153  -8.053 -12.834
   90   HG22  ILE  10          2HG2      ILE  10   4.386  -8.365 -14.390
   91   HG23  ILE  10          3HG2      ILE  10   4.036  -6.872 -13.519
   92   HD11  ILE  10          3HD1      ILE  10   2.957  -6.589 -10.033
   93   HD12  ILE  10          1HD1      ILE  10   4.613  -6.962 -10.509
   94   HD13  ILE  10          2HD1      ILE  10   3.479  -6.316 -11.695
   95    H    HIS  11           H        HIS  11   0.521  -6.759 -11.514
   96    HA   HIS  11           HA       HIS  11  -0.579  -8.728  -9.894
   97    HB2  HIS  11           2HB      HIS  11  -0.454  -6.319  -9.311
   98    HB3  HIS  11           3HB      HIS  11  -1.747  -5.996 -10.462
   99    HD1  HIS  11           HD1      HIS  11  -2.037  -9.052  -8.376
  100    HD2  HIS  11           HD2      HIS  11  -3.372  -5.118  -8.313
  101    HE1  HIS  11           HE1      HIS  11  -3.853  -8.985  -6.637
  102    H    ASN  12           H        ASN  12  -1.505  -7.726 -13.036
  103    HA   ASN  12           HA       ASN  12  -4.241  -8.571 -12.886
  104    HB2  ASN  12           2HB      ASN  12  -2.401  -7.637 -15.042
  105    HB3  ASN  12           3HB      ASN  12  -3.844  -8.529 -15.514
  106   HD21  ASN  12          1HD2      ASN  12  -3.037  -6.015 -13.138
  107   HD22  ASN  12          2HD2      ASN  12  -4.347  -4.967 -13.552
  108    H    LEU  13           H        LEU  13  -1.250 -10.156 -13.256
  109    HA   LEU  13           HA       LEU  13  -2.623 -12.596 -14.177
  110    HB2  LEU  13           2HB      LEU  13  -1.129 -12.099 -15.885
  111    HB3  LEU  13           3HB      LEU  13   0.104 -11.520 -14.767
  112    HG   LEU  13           HG       LEU  13   0.478 -13.871 -14.050
  113   HD11  LEU  13          1HD1      LEU  13  -0.671 -15.634 -14.860
  114   HD12  LEU  13          2HD1      LEU  13  -0.884 -14.907 -16.452
  115   HD13  LEU  13          3HD1      LEU  13  -1.925 -14.420 -15.114
  116   HD21  LEU  13          3HD2      LEU  13   1.504 -12.550 -16.170
  117   HD22  LEU  13          1HD2      LEU  13   0.871 -13.992 -16.965
  118   HD23  LEU  13          2HD2      LEU  13   2.038 -14.150 -15.651
  119    H    PHE  14           H        PHE  14  -0.727 -11.104 -11.746
  120    HA   PHE  14           HA       PHE  14   0.286 -13.518 -10.571
  121    HB2  PHE  14           2HB      PHE  14   0.502 -10.653 -10.088
  122    HB3  PHE  14           3HB      PHE  14   0.342 -11.570  -8.593
  123    HD1  PHE  14           HD2      PHE  14   2.004 -13.307  -8.028
  124    HD2  PHE  14           HD1      PHE  14   2.483 -10.735 -11.385
  125    HE1  PHE  14           HE2      PHE  14   4.391 -13.894  -8.133
  126    HE2  PHE  14           HE1      PHE  14   4.870 -11.318 -11.496
  127    HZ   PHE  14           HZ       PHE  14   5.828 -12.898  -9.868
  128    H    ARG  15           H        ARG  15  -2.621 -11.657 -10.340
  129    HA   ARG  15           HA       ARG  15  -3.541 -12.383  -7.811
  130    HB2  ARG  15           2HB      ARG  15  -4.727 -10.696  -8.979
  131    HB3  ARG  15           3HB      ARG  15  -4.989 -11.737 -10.372
  132    HG2  ARG  15           2HG      ARG  15  -7.017 -11.387  -9.015
  133    HG3  ARG  15           3HG      ARG  15  -6.550 -13.084  -9.141
  134    HD2  ARG  15           2HD      ARG  15  -5.485 -12.938  -6.932
  135    HD3  ARG  15           3HD      ARG  15  -5.992 -11.254  -6.809
  136    HE   ARG  15           HE       ARG  15  -7.627 -13.595  -6.426
  137   HH11  ARG  15          1HH1      ARG  15  -7.592 -10.193  -7.164
  138   HH12  ARG  15          2HH1      ARG  15  -9.221  -9.929  -6.637
  139   HH21  ARG  15          1HH2      ARG  15  -9.773 -13.260  -5.729
  140   HH22  ARG  15          2HH2      ARG  15 -10.460 -11.674  -5.820
  141    H    LYS  16           H        LYS  16  -4.010 -14.010 -10.936
  142    HA   LYS  16           HA       LYS  16  -5.622 -16.105 -10.055
  143    HB2  LYS  16           2HB      LYS  16  -5.123 -15.530 -12.439
  144    HB3  LYS  16           3HB      LYS  16  -3.533 -16.254 -12.235
  145    HG2  LYS  16           2HG      LYS  16  -5.149 -18.263 -11.376
  146    HG3  LYS  16           3HG      LYS  16  -6.145 -17.516 -12.628
  147    HD2  LYS  16           2HD      LYS  16  -3.608 -17.629 -13.748
  148    HD3  LYS  16           3HD      LYS  16  -3.767 -19.158 -12.880
  149    HE2  LYS  16           2HE      LYS  16  -6.036 -19.378 -14.014
  150    HE3  LYS  16           3HE      LYS  16  -5.523 -18.052 -15.057
  151    HZ1  LYS  16           3HZ      LYS  16  -3.534 -19.439 -15.603
  152    HZ2  LYS  16           1HZ      LYS  16  -5.005 -20.057 -16.166
  153    HZ3  LYS  16           2HZ      LYS  16  -4.275 -20.728 -14.796
  154    H    LEU  17           H        LEU  17  -2.255 -15.534  -9.588
  155    HA   LEU  17           HA       LEU  17  -1.627 -18.279  -8.932
  156    HB2  LEU  17           2HB      LEU  17   0.005 -16.719  -9.978
  157    HB3  LEU  17           3HB      LEU  17   0.014 -15.792  -8.479
  158    HG   LEU  17           HG       LEU  17   0.827 -17.910  -7.341
  159   HD11  LEU  17          1HD1      LEU  17   0.750 -19.767  -8.564
  160   HD12  LEU  17          2HD1      LEU  17   2.153 -19.139  -9.428
  161   HD13  LEU  17          3HD1      LEU  17   0.532 -18.864 -10.064
  162   HD21  LEU  17          3HD2      LEU  17   2.295 -16.031  -7.788
  163   HD22  LEU  17          1HD2      LEU  17   2.562 -16.604  -9.435
  164   HD23  LEU  17          2HD2      LEU  17   3.147 -17.551  -8.066
  165    H    THR  18           H        THR  18  -2.409 -15.305  -7.254
  166    HA   THR  18           HA       THR  18  -1.643 -16.080  -4.658
  167    HB   THR  18           HB       THR  18  -2.943 -14.258  -3.842
  168    HG1  THR  18           HG1      THR  18  -4.715 -13.529  -4.831
  169   HG21  THR  18          3HG2      THR  18  -1.997 -12.490  -5.001
  170   HG22  THR  18          1HG2      THR  18  -2.241 -13.253  -6.572
  171   HG23  THR  18          2HG2      THR  18  -0.971 -13.836  -5.495
  172    H    HIS  19           H        HIS  19  -4.678 -16.456  -6.437
  173    HA   HIS  19           HA       HIS  19  -6.232 -17.464  -4.330
  174    HB2  HIS  19           2HB      HIS  19  -7.012 -16.687  -6.633
  175    HB3  HIS  19           3HB      HIS  19  -6.541 -18.280  -7.218
  176    HD1  HIS  19           HD1      HIS  19  -8.592 -19.617  -7.507
  177    HD2  HIS  19           HD2      HIS  19  -8.746 -17.291  -4.068
  178    HE1  HIS  19           HE1      HIS  19 -10.769 -20.206  -6.394
  179    H    ARG  20           H        ARG  20  -3.647 -18.860  -6.062
  180    HA   ARG  20           HA       ARG  20  -4.398 -21.559  -5.162
  181    HB2  ARG  20           2HB      ARG  20  -2.231 -20.871  -7.144
  182    HB3  ARG  20           3HB      ARG  20  -2.956 -22.445  -6.842
  183    HG2  ARG  20           2HG      ARG  20  -4.423 -20.084  -7.998
  184    HG3  ARG  20           3HG      ARG  20  -3.709 -21.391  -8.946
  185    HD2  ARG  20           2HD      ARG  20  -5.245 -22.671  -7.010
  186    HD3  ARG  20           3HD      ARG  20  -6.225 -21.298  -7.523
  187    HE   ARG  20           HE       ARG  20  -5.641 -23.648  -9.033
  188   HH11  ARG  20          1HH1      ARG  20  -6.300 -20.239  -9.289
  189   HH12  ARG  20          2HH1      ARG  20  -6.935 -20.350 -10.897
  190   HH21  ARG  20          1HH2      ARG  20  -6.475 -23.807 -11.150
  191   HH22  ARG  20          2HH2      ARG  20  -7.034 -22.380 -11.955
  192    H    LEU  21           H        LEU  21  -2.293 -18.958  -4.574
  193    HA   LEU  21           HA       LEU  21  -0.472 -20.688  -3.037
  194    HB2  LEU  21           2HB      LEU  21  -0.088 -18.123  -4.498
  195    HB3  LEU  21           3HB      LEU  21   0.901 -18.437  -3.074
  196    HG   LEU  21           HG       LEU  21   0.775 -20.177  -5.536
  197   HD11  LEU  21          1HD1      LEU  21   3.259 -18.798  -4.762
  198   HD12  LEU  21          2HD1      LEU  21   1.973 -17.772  -5.397
  199   HD13  LEU  21          3HD1      LEU  21   2.583 -19.118  -6.359
  200   HD21  LEU  21          3HD2      LEU  21   1.599 -20.759  -2.898
  201   HD22  LEU  21          1HD2      LEU  21   3.056 -20.607  -3.880
  202   HD23  LEU  21          2HD2      LEU  21   1.794 -21.747  -4.347
  203    H    PHE  22           H        PHE  22  -1.287 -17.233  -2.835
  204    HA   PHE  22           HA       PHE  22  -1.050 -16.995  -0.094
  205    HB2  PHE  22           2HB      PHE  22  -2.598 -15.463  -2.153
  206    HB3  PHE  22           3HB      PHE  22  -2.787 -15.066  -0.448
  207    HD1  PHE  22           HD1      PHE  22  -0.683 -14.504   0.876
  208    HD2  PHE  22           HD2      PHE  22  -0.811 -14.620  -3.377
  209    HE1  PHE  22           HE1      PHE  22   1.350 -13.121   0.781
  210    HE2  PHE  22           HE2      PHE  22   1.222 -13.238  -3.479
  211    HZ   PHE  22           HZ       PHE  22   2.305 -12.487  -1.399
  212    H    ARG  23           H        ARG  23  -3.831 -18.005  -2.001
  213    HA   ARG  23           HA       ARG  23  -5.795 -17.932  -0.026
  214    HB2  ARG  23           2HB      ARG  23  -6.225 -18.327  -2.435
  215    HB3  ARG  23           3HB      ARG  23  -5.536 -19.937  -2.273
  216    HG2  ARG  23           2HG      ARG  23  -7.915 -20.121  -2.237
  217    HG3  ARG  23           3HG      ARG  23  -7.307 -20.467  -0.617
  218    HD2  ARG  23           2HD      ARG  23  -8.567 -18.848   0.228
  219    HD3  ARG  23           3HD      ARG  23  -7.796 -17.669  -0.832
  220    HE   ARG  23           HE       ARG  23  -9.724 -19.087  -2.297
  221   HH11  ARG  23          1HH1      ARG  23  -9.498 -16.755   0.278
  222   HH12  ARG  23          2HH1      ARG  23 -11.031 -16.027  -0.071
  223   HH21  ARG  23          1HH2      ARG  23 -11.744 -18.138  -2.766
  224   HH22  ARG  23          2HH2      ARG  23 -12.308 -16.815  -1.802
  225    H    ARG  24           H        ARG  24  -3.223 -20.215  -0.591
  226    HA   ARG  24           HA       ARG  24  -4.300 -22.208   1.195
  227    HB2  ARG  24           2HB      ARG  24  -1.582 -21.957  -0.106
  228    HB3  ARG  24           3HB      ARG  24  -2.121 -23.344   0.833
  229    HG2  ARG  24           2HG      ARG  24  -3.335 -22.361  -1.741
  230    HG3  ARG  24           3HG      ARG  24  -2.310 -23.783  -1.541
  231    HD2  ARG  24           2HD      ARG  24  -4.396 -24.026   0.332
  232    HD3  ARG  24           3HD      ARG  24  -5.142 -23.521  -1.184
  233    HE   ARG  24           HE       ARG  24  -3.458 -25.534  -1.909
  234   HH11  ARG  24          1HH1      ARG  24  -6.043 -25.221   0.401
  235   HH12  ARG  24          2HH1      ARG  24  -6.511 -26.886   0.299
  236   HH21  ARG  24          1HH2      ARG  24  -4.064 -27.728  -2.053
  237   HH22  ARG  24          2HH2      ARG  24  -5.384 -28.311  -1.097
  Start of MODEL   15
    1    H1   TRP   1           H        TRP   1   1.807   0.065   1.183
    2    HA   TRP   1           HA       TRP   1   3.644  -0.590  -0.528
    3    HB2  TRP   1           2HB      TRP   1   2.028  -2.782  -0.677
    4    HB3  TRP   1           3HB      TRP   1   1.468  -1.852  -2.065
    5    HD1  TRP   1           HD1      TRP   1   2.653  -2.609  -4.190
    6    HE1  TRP   1           HE1      TRP   1   5.015  -3.424  -4.807
    7    HE3  TRP   1           HE3      TRP   1   4.806  -2.445   0.444
    8    HZ2  TRP   1           HZ2      TRP   1   7.467  -3.931  -3.503
    9    HZ3  TRP   1           HZ3      TRP   1   7.164  -3.112   0.674
   10    HH2  TRP   1           HH2      TRP   1   8.464  -3.840  -1.260
   11    H    TRP   2           H        TRP   2   3.779   1.415  -1.298
   12    HA   TRP   2           HA       TRP   2   1.380   2.771  -2.261
   13    HB2  TRP   2           2HB      TRP   2   2.371   4.581  -1.404
   14    HB3  TRP   2           3HB      TRP   2   3.776   3.610  -0.973
   15    HD1  TRP   2           HD1      TRP   2   2.640   6.288  -3.351
   16    HE1  TRP   2           HE1      TRP   2   4.594   6.971  -4.881
   17    HE3  TRP   2           HE3      TRP   2   5.927   2.550  -2.187
   18    HZ2  TRP   2           HZ2      TRP   2   7.185   6.047  -5.511
   19    HZ3  TRP   2           HZ3      TRP   2   8.122   2.521  -3.298
   20    HH2  TRP   2           HH2      TRP   2   8.736   4.235  -4.926
   21    H    TRP   3           H        TRP   3   4.228   1.217  -3.437
   22    HA   TRP   3           HA       TRP   3   4.037   2.414  -6.074
   23    HB2  TRP   3           2HB      TRP   3   6.132   1.359  -4.641
   24    HB3  TRP   3           3HB      TRP   3   5.769   0.064  -5.778
   25    HD1  TRP   3           HD1      TRP   3   5.534   3.825  -6.606
   26    HE1  TRP   3           HE1      TRP   3   7.199   4.335  -8.501
   27    HE3  TRP   3           HE3      TRP   3   7.808  -0.741  -6.939
   28    HZ2  TRP   3           HZ2      TRP   3   9.210   2.981  -9.946
   29    HZ3  TRP   3           HZ3      TRP   3   9.593  -1.051  -8.605
   30    HH2  TRP   3           HH2      TRP   3  10.278   0.773 -10.076
   31    H    LYS   4           H        LYS   4   1.909   0.638  -4.839
   32    HA   LYS   4           HA       LYS   4   1.808  -1.841  -6.111
   33    HB2  LYS   4           2HB      LYS   4   0.208  -0.541  -4.356
   34    HB3  LYS   4           3HB      LYS   4  -0.758  -0.398  -5.819
   35    HG2  LYS   4           2HG      LYS   4  -0.466  -2.908  -6.075
   36    HG3  LYS   4           3HG      LYS   4   0.140  -2.894  -4.417
   37    HD2  LYS   4           2HD      LYS   4  -2.107  -3.334  -4.103
   38    HD3  LYS   4           3HD      LYS   4  -2.050  -1.580  -3.913
   39    HE2  LYS   4           2HE      LYS   4  -3.845  -1.838  -5.336
   40    HE3  LYS   4           3HE      LYS   4  -2.526  -1.564  -6.473
   41    HZ1  LYS   4           3HZ      LYS   4  -2.941  -3.517  -7.396
   42    HZ2  LYS   4           1HZ      LYS   4  -4.246  -3.749  -6.345
   43    HZ3  LYS   4           2HZ      LYS   4  -2.710  -4.314  -5.922
   44    H    TYR   5           H        TYR   5   1.473   1.309  -7.403
   45    HA   TYR   5           HA       TYR   5  -0.220   0.877  -9.578
   46    HB2  TYR   5           2HB      TYR   5   2.201   2.682  -9.603
   47    HB3  TYR   5           3HB      TYR   5   0.721   2.861 -10.538
   48    HD1  TYR   5           HD2      TYR   5  -1.380   2.512  -8.566
   49    HD2  TYR   5           HD1      TYR   5   2.354   4.517  -8.198
   50    HE1  TYR   5           HE2      TYR   5  -2.327   3.939  -6.801
   51    HE2  TYR   5           HE1      TYR   5   1.418   5.949  -6.430
   52    HH   TYR   5           HH       TYR   5  -0.379   5.969  -4.837
   53    H    GLU   6           H        GLU   6   3.103  -0.021  -9.062
   54    HA   GLU   6           HA       GLU   6   3.497  -0.737 -11.854
   55    HB2  GLU   6           2HB      GLU   6   5.444  -1.426  -9.690
   56    HB3  GLU   6           3HB      GLU   6   5.749  -0.988 -11.365
   57    HG2  GLU   6           2HG      GLU   6   4.830   0.892  -9.202
   58    HG3  GLU   6           3HG      GLU   6   6.476   0.750  -9.815
   59    H    ILE   7           H        ILE   7   1.926  -2.113  -9.359
   60    HA   ILE   7           HA       ILE   7   2.798  -4.851  -9.954
   61    HB   ILE   7           HB       ILE   7   1.269  -3.640  -7.677
   62   HG12  ILE   7          2HG1      ILE   7   3.745  -3.833  -7.587
   63   HG13  ILE   7          3HG1      ILE   7   2.942  -4.772  -6.333
   64   HG21  ILE   7          1HG2      ILE   7  -0.150  -5.416  -7.975
   65   HG22  ILE   7          2HG2      ILE   7   1.096  -6.431  -8.700
   66   HG23  ILE   7          3HG2      ILE   7   1.084  -6.159  -6.958
   67   HD11  ILE   7          3HD1      ILE   7   3.220  -6.787  -7.749
   68   HD12  ILE   7          1HD1      ILE   7   4.157  -5.811  -8.879
   69   HD13  ILE   7          2HD1      ILE   7   4.741  -6.058  -7.233
   70    H    THR   8           H        THR   8  -0.028  -2.745  -9.989
   71    HA   THR   8           HA       THR   8  -2.058  -4.496 -10.552
   72    HB   THR   8           HB       THR   8  -3.254  -2.715 -11.580
   73    HG1  THR   8           HG1      THR   8  -0.817  -1.279 -11.894
   74   HG21  THR   8          3HG2      THR   8  -3.022  -0.948  -9.999
   75   HG22  THR   8          1HG2      THR   8  -1.331  -1.347  -9.703
   76   HG23  THR   8          2HG2      THR   8  -2.604  -2.440  -9.158
   77    H    THR   9           H        THR   9   0.539  -3.474 -12.646
   78    HA   THR   9           HA       THR   9  -0.467  -4.153 -15.141
   79    HB   THR   9           HB       THR   9   1.603  -3.060 -15.169
   80    HG1  THR   9           HG1      THR   9   2.987  -4.583 -16.241
   81   HG21  THR   9          3HG2      THR   9   3.395  -4.950 -13.963
   82   HG22  THR   9          1HG2      THR   9   2.115  -4.532 -12.826
   83   HG23  THR   9          2HG2      THR   9   3.109  -3.262 -13.540
   84    H    ILE  10           H        ILE  10   1.425  -6.215 -12.928
   85    HA   ILE  10           HA       ILE  10   0.765  -8.560 -14.522
   86    HB   ILE  10           HB       ILE  10   2.366  -9.750 -13.284
   87   HG12  ILE  10          2HG1      ILE  10   1.420  -8.748 -11.065
   88   HG13  ILE  10          3HG1      ILE  10   3.096  -9.284 -11.126
   89   HG21  ILE  10          1HG2      ILE  10   4.348  -8.153 -13.184
   90   HG22  ILE  10          2HG2      ILE  10   3.512  -8.299 -14.729
   91   HG23  ILE  10          3HG2      ILE  10   3.218  -6.900 -13.696
   92   HD11  ILE  10          3HD1      ILE  10   3.903  -7.210 -10.852
   93   HD12  ILE  10          1HD1      ILE  10   2.641  -6.470 -11.836
   94   HD13  ILE  10          2HD1      ILE  10   2.310  -6.907 -10.160
   95    H    HIS  11           H        HIS  11  -0.260  -6.969 -11.644
   96    HA   HIS  11           HA       HIS  11  -1.308  -9.050 -10.138
   97    HB2  HIS  11           2HB      HIS  11  -1.190  -6.690  -9.390
   98    HB3  HIS  11           3HB      HIS  11  -2.503  -6.293 -10.495
   99    HD1  HIS  11           HD1      HIS  11  -2.383  -9.314  -8.221
  100    HD2  HIS  11           HD2      HIS  11  -4.465  -5.747  -8.669
  101    HE1  HIS  11           HE1      HIS  11  -4.264  -9.420  -6.555
  102    H    ASN  12           H        ASN  12  -2.319  -7.848 -13.183
  103    HA   ASN  12           HA       ASN  12  -5.044  -8.713 -13.031
  104    HB2  ASN  12           2HB      ASN  12  -3.282  -7.494 -15.048
  105    HB3  ASN  12           3HB      ASN  12  -4.507  -8.573 -15.709
  106   HD21  ASN  12          1HD2      ASN  12  -4.050  -5.807 -13.570
  107   HD22  ASN  12          2HD2      ASN  12  -5.594  -5.092 -13.872
  108    H    LEU  13           H        LEU  13  -2.055 -10.264 -13.575
  109    HA   LEU  13           HA       LEU  13  -3.450 -12.654 -14.588
  110    HB2  LEU  13           2HB      LEU  13  -1.574 -13.264 -15.836
  111    HB3  LEU  13           3HB      LEU  13  -1.754 -11.533 -16.111
  112    HG   LEU  13           HG       LEU  13   0.006 -11.814 -13.930
  113   HD11  LEU  13          1HD1      LEU  13   1.781 -13.098 -15.442
  114   HD12  LEU  13          2HD1      LEU  13   0.322 -13.933 -15.972
  115   HD13  LEU  13          3HD1      LEU  13   0.761 -13.924 -14.264
  116   HD21  LEU  13          3HD2      LEU  13   1.503 -10.626 -15.315
  117   HD22  LEU  13          1HD2      LEU  13  -0.112 -10.092 -15.783
  118   HD23  LEU  13          2HD2      LEU  13   0.759 -11.252 -16.788
  119    H    PHE  14           H        PHE  14  -1.486 -11.294 -12.132
  120    HA   PHE  14           HA       PHE  14  -0.432 -13.763 -11.122
  121    HB2  PHE  14           2HB      PHE  14  -0.224 -10.929 -10.479
  122    HB3  PHE  14           3HB      PHE  14  -0.337 -11.932  -9.037
  123    HD1  PHE  14           HD2      PHE  14   1.355 -13.676  -8.610
  124    HD2  PHE  14           HD1      PHE  14   1.719 -10.927 -11.839
  125    HE1  PHE  14           HE2      PHE  14   3.743 -14.234  -8.811
  126    HE2  PHE  14           HE1      PHE  14   4.107 -11.481 -12.047
  127    HZ   PHE  14           HZ       PHE  14   5.122 -13.136 -10.531
  128    H    ARG  15           H        ARG  15  -3.340 -11.933 -10.699
  129    HA   ARG  15           HA       ARG  15  -4.193 -12.804  -8.199
  130    HB2  ARG  15           2HB      ARG  15  -6.447 -12.272  -8.939
  131    HB3  ARG  15           3HB      ARG  15  -5.321 -11.048  -9.509
  132    HG2  ARG  15           2HG      ARG  15  -5.307 -12.675 -11.635
  133    HG3  ARG  15           3HG      ARG  15  -6.931 -12.999 -11.024
  134    HD2  ARG  15           2HD      ARG  15  -6.914 -10.321 -10.861
  135    HD3  ARG  15           3HD      ARG  15  -5.795 -10.540 -12.206
  136    HE   ARG  15           HE       ARG  15  -7.945 -12.123 -12.810
  137   HH11  ARG  15          1HH1      ARG  15  -7.463  -8.749 -12.102
  138   HH12  ARG  15          2HH1      ARG  15  -8.787  -8.218 -13.084
  139   HH21  ARG  15          1HH2      ARG  15  -9.692 -11.437 -14.107
  140   HH22  ARG  15          2HH2      ARG  15 -10.056  -9.749 -14.224
  141    H    LYS  16           H        LYS  16  -3.996 -14.498 -11.208
  142    HA   LYS  16           HA       LYS  16  -5.833 -16.586 -10.557
  143    HB2  LYS  16           2HB      LYS  16  -5.139 -15.956 -12.884
  144    HB3  LYS  16           3HB      LYS  16  -3.564 -16.664 -12.551
  145    HG2  LYS  16           2HG      LYS  16  -5.228 -18.701 -11.862
  146    HG3  LYS  16           3HG      LYS  16  -6.112 -17.950 -13.192
  147    HD2  LYS  16           2HD      LYS  16  -3.644 -17.985 -14.251
  148    HD3  LYS  16           3HD      LYS  16  -3.533 -19.396 -13.196
  149    HE2  LYS  16           2HE      LYS  16  -6.036 -19.365 -14.632
  150    HE3  LYS  16           3HE      LYS  16  -4.671 -19.269 -15.743
  151    HZ1  LYS  16           3HZ      LYS  16  -4.449 -21.445 -15.489
  152    HZ2  LYS  16           1HZ      LYS  16  -5.615 -21.495 -14.264
  153    HZ3  LYS  16           2HZ      LYS  16  -3.997 -21.187 -13.880
  154    H    LEU  17           H        LEU  17  -2.500 -15.953  -9.869
  155    HA   LEU  17           HA       LEU  17  -1.951 -18.696  -9.085
  156    HB2  LEU  17           2HB      LEU  17  -0.247 -17.276 -10.204
  157    HB3  LEU  17           3HB      LEU  17  -0.234 -16.237  -8.781
  158    HG   LEU  17           HG       LEU  17   0.600 -18.123  -7.436
  159   HD11  LEU  17          1HD1      LEU  17  -0.188 -20.053  -8.467
  160   HD12  LEU  17          2HD1      LEU  17   1.538 -20.069  -8.825
  161   HD13  LEU  17          3HD1      LEU  17   0.387 -19.556 -10.058
  162   HD21  LEU  17          3HD2      LEU  17   2.841 -18.058  -8.232
  163   HD22  LEU  17          1HD2      LEU  17   2.111 -16.496  -8.606
  164   HD23  LEU  17          2HD2      LEU  17   2.313 -17.702  -9.877
  165    H    THR  18           H        THR  18  -2.646 -15.592  -7.615
  166    HA   THR  18           HA       THR  18  -1.897 -16.012  -4.997
  167    HB   THR  18           HB       THR  18  -3.625 -14.425  -4.336
  168    HG1  THR  18           HG1      THR  18  -5.401 -15.015  -5.508
  169   HG21  THR  18          3HG2      THR  18  -3.159 -12.657  -6.185
  170   HG22  THR  18          1HG2      THR  18  -2.094 -13.892  -6.855
  171   HG23  THR  18          2HG2      THR  18  -1.814 -13.276  -5.226
  172    H    HIS  19           H        HIS  19  -4.700 -17.253  -6.710
  173    HA   HIS  19           HA       HIS  19  -6.301 -18.117  -4.646
  174    HB2  HIS  19           2HB      HIS  19  -5.998 -18.715  -7.443
  175    HB3  HIS  19           3HB      HIS  19  -6.328 -20.198  -6.553
  176    HD1  HIS  19           HD1      HIS  19  -8.444 -19.682  -4.681
  177    HD2  HIS  19           HD2      HIS  19  -8.303 -17.610  -8.280
  178    HE1  HIS  19           HE1      HIS  19 -10.786 -18.851  -5.071
  179    H    ARG  20           H        ARG  20  -3.254 -19.411  -5.723
  180    HA   ARG  20           HA       ARG  20  -3.489 -21.568  -3.728
  181    HB2  ARG  20           2HB      ARG  20  -1.596 -22.626  -5.083
  182    HB3  ARG  20           3HB      ARG  20  -3.197 -22.620  -5.810
  183    HG2  ARG  20           2HG      ARG  20  -2.545 -20.613  -7.111
  184    HG3  ARG  20           3HG      ARG  20  -0.914 -20.768  -6.453
  185    HD2  ARG  20           2HD      ARG  20  -1.220 -21.762  -8.726
  186    HD3  ARG  20           3HD      ARG  20  -0.608 -22.883  -7.510
  187    HE   ARG  20           HE       ARG  20  -2.520 -24.120  -7.739
  188   HH11  ARG  20          1HH1      ARG  20  -3.008 -20.987  -9.175
  189   HH12  ARG  20          2HH1      ARG  20  -4.539 -21.401  -9.873
  190   HH21  ARG  20          1HH2      ARG  20  -4.534 -24.678  -8.653
  191   HH22  ARG  20          2HH2      ARG  20  -5.406 -23.501  -9.575
  192    H    LEU  21           H        LEU  21  -1.685 -18.818  -4.798
  193    HA   LEU  21           HA       LEU  21   0.768 -19.239  -3.547
  194    HB2  LEU  21           2HB      LEU  21  -0.347 -17.233  -5.007
  195    HB3  LEU  21           3HB      LEU  21  -0.263 -16.493  -3.410
  196    HG   LEU  21           HG       LEU  21   2.211 -17.802  -4.335
  197   HD11  LEU  21          1HD1      LEU  21   0.815 -15.912  -6.017
  198   HD12  LEU  21          2HD1      LEU  21   2.283 -16.835  -6.334
  199   HD13  LEU  21          3HD1      LEU  21   2.380 -15.287  -5.494
  200   HD21  LEU  21          3HD2      LEU  21   2.216 -16.621  -2.261
  201   HD22  LEU  21          1HD2      LEU  21   1.502 -15.192  -3.008
  202   HD23  LEU  21          2HD2      LEU  21   3.149 -15.673  -3.420
  203    H    PHE  22           H        PHE  22  -1.778 -17.087  -2.279
  204    HA   PHE  22           HA       PHE  22  -1.005 -17.942   0.433
  205    HB2  PHE  22           2HB      PHE  22  -1.265 -15.755   1.243
  206    HB3  PHE  22           3HB      PHE  22  -0.445 -15.536  -0.299
  207    HD1  PHE  22           HD2      PHE  22  -1.592 -14.557  -2.193
  208    HD2  PHE  22           HD1      PHE  22  -3.557 -15.069   1.548
  209    HE1  PHE  22           HE2      PHE  22  -3.375 -13.029  -2.925
  210    HE2  PHE  22           HE1      PHE  22  -5.344 -13.542   0.821
  211    HZ   PHE  22           HZ       PHE  22  -5.254 -12.518  -1.417
  212    H    ARG  23           H        ARG  23  -3.595 -17.164  -1.773
  213    HA   ARG  23           HA       ARG  23  -5.745 -17.178   0.031
  214    HB2  ARG  23           2HB      ARG  23  -5.507 -16.697  -2.619
  215    HB3  ARG  23           3HB      ARG  23  -6.226 -18.302  -2.662
  216    HG2  ARG  23           2HG      ARG  23  -7.947 -16.618  -2.779
  217    HG3  ARG  23           3HG      ARG  23  -8.069 -17.496  -1.253
  218    HD2  ARG  23           2HD      ARG  23  -8.066 -15.514  -0.238
  219    HD3  ARG  23           3HD      ARG  23  -6.368 -15.380  -0.690
  220    HE   ARG  23           HE       ARG  23  -7.708 -14.483  -2.881
  221   HH11  ARG  23          1HH1      ARG  23  -7.725 -13.652   0.500
  222   HH12  ARG  23          2HH1      ARG  23  -8.133 -11.991   0.224
  223   HH21  ARG  23          1HH2      ARG  23  -8.245 -12.298  -3.257
  224   HH22  ARG  23          2HH2      ARG  23  -8.429 -11.222  -1.914
  225    H    ARG  24           H        ARG  24  -4.020 -19.774  -1.578
  226    HA   ARG  24           HA       ARG  24  -4.097 -22.039  -1.373
  227    HB2  ARG  24           2HB      ARG  24  -4.964 -21.056   1.308
  228    HB3  ARG  24           3HB      ARG  24  -5.119 -22.772   0.960
  229    HG2  ARG  24           2HG      ARG  24  -2.547 -21.265   0.594
  230    HG3  ARG  24           3HG      ARG  24  -2.997 -22.052   2.108
  231    HD2  ARG  24           2HD      ARG  24  -3.341 -23.809  -0.169
  232    HD3  ARG  24           3HD      ARG  24  -1.687 -23.211  -0.048
  233    HE   ARG  24           HE       ARG  24  -2.579 -24.093   2.479
  234   HH11  ARG  24          1HH1      ARG  24  -1.595 -25.304  -0.633
  235   HH12  ARG  24          2HH1      ARG  24  -1.020 -26.815  -0.008
  236   HH21  ARG  24          1HH2      ARG  24  -1.826 -26.077   3.313
  237   HH22  ARG  24          2HH2      ARG  24  -1.153 -27.254   2.236
  Start of MODEL   16
    1    H1   TRP   1           H        TRP   1   2.505  -0.361   0.995
    2    HA   TRP   1           HA       TRP   1   3.947  -0.539  -0.790
    3    HB2  TRP   1           2HB      TRP   1   2.207  -2.517  -1.411
    4    HB3  TRP   1           3HB      TRP   1   1.907  -1.411  -2.749
    5    HD1  TRP   1           HD1      TRP   1   3.211  -2.289  -4.764
    6    HE1  TRP   1           HE1      TRP   1   5.594  -3.169  -5.182
    7    HE3  TRP   1           HE3      TRP   1   4.950  -2.238   0.043
    8    HZ2  TRP   1           HZ2      TRP   1   7.904  -3.763  -3.673
    9    HZ3  TRP   1           HZ3      TRP   1   7.257  -2.977   0.470
   10    HH2  TRP   1           HH2      TRP   1   8.702  -3.724  -1.351
   11    H    TRP   2           H        TRP   2   4.456   1.459  -1.387
   12    HA   TRP   2           HA       TRP   2   2.460   3.310  -2.340
   13    HB2  TRP   2           2HB      TRP   2   3.924   4.896  -1.712
   14    HB3  TRP   2           3HB      TRP   2   4.859   3.582  -1.003
   15    HD1  TRP   2           HD1      TRP   2   7.184   3.050  -2.058
   16    HE1  TRP   2           HE1      TRP   2   8.564   4.091  -3.965
   17    HE3  TRP   2           HE3      TRP   2   3.603   6.081  -4.091
   18    HZ2  TRP   2           HZ2      TRP   2   8.186   5.952  -6.054
   19    HZ3  TRP   2           HZ3      TRP   2   4.194   7.459  -6.042
   20    HH2  TRP   2           HH2      TRP   2   6.438   7.395  -7.001
   21    H    TRP   3           H        TRP   3   5.027   1.358  -3.698
   22    HA   TRP   3           HA       TRP   3   4.743   2.592  -6.318
   23    HB2  TRP   3           2HB      TRP   3   6.864   1.391  -5.019
   24    HB3  TRP   3           3HB      TRP   3   6.362   0.160  -6.175
   25    HD1  TRP   3           HD1      TRP   3   6.253   3.944  -6.894
   26    HE1  TRP   3           HE1      TRP   3   7.845   4.438  -8.855
   27    HE3  TRP   3           HE3      TRP   3   8.335  -0.693  -7.437
   28    HZ2  TRP   3           HZ2      TRP   3   9.734   3.046 -10.424
   29    HZ3  TRP   3           HZ3      TRP   3  10.026  -1.029  -9.192
   30    HH2  TRP   3           HH2      TRP   3  10.710   0.804 -10.654
   31    H    LYS   4           H        LYS   4   2.519   1.101  -5.078
   32    HA   LYS   4           HA       LYS   4   2.212  -1.432  -6.264
   33    HB2  LYS   4           2HB      LYS   4   0.843  -0.518  -4.374
   34    HB3  LYS   4           3HB      LYS   4   0.013   0.509  -5.536
   35    HG2  LYS   4           2HG      LYS   4  -0.994  -1.324  -6.601
   36    HG3  LYS   4           3HG      LYS   4   0.094  -2.476  -5.825
   37    HD2  LYS   4           2HD      LYS   4  -1.139  -2.559  -3.943
   38    HD3  LYS   4           3HD      LYS   4  -1.477  -0.827  -3.971
   39    HE2  LYS   4           2HE      LYS   4  -3.142  -1.215  -5.751
   40    HE3  LYS   4           3HE      LYS   4  -2.832  -2.946  -5.638
   41    HZ1  LYS   4           3HZ      LYS   4  -3.485  -1.660  -3.131
   42    HZ2  LYS   4           1HZ      LYS   4  -4.040  -3.122  -3.776
   43    HZ3  LYS   4           2HZ      LYS   4  -4.738  -1.662  -4.267
   44    H    TYR   5           H        TYR   5   2.155   1.679  -7.617
   45    HA   TYR   5           HA       TYR   5   0.288   1.377  -9.689
   46    HB2  TYR   5           2HB      TYR   5   2.845   2.977  -9.838
   47    HB3  TYR   5           3HB      TYR   5   1.356   3.257 -10.733
   48    HD1  TYR   5           HD2      TYR   5  -0.693   3.084  -8.663
   49    HD2  TYR   5           HD1      TYR   5   3.176   4.848  -8.505
   50    HE1  TYR   5           HE2      TYR   5  -1.468   4.613  -6.900
   51    HE2  TYR   5           HE1      TYR   5   2.411   6.381  -6.740
   52    HH   TYR   5           HH       TYR   5  -0.605   5.979  -5.138
   53    H    GLU   6           H        GLU   6   3.505   0.150  -9.285
   54    HA   GLU   6           HA       GLU   6   3.717  -0.615 -12.090
   55    HB2  GLU   6           2HB      GLU   6   5.682  -1.328  -9.928
   56    HB3  GLU   6           3HB      GLU   6   5.965  -1.169 -11.655
   57    HG2  GLU   6           2HG      GLU   6   5.071   1.334 -10.898
   58    HG3  GLU   6           3HG      GLU   6   6.100   0.822  -9.561
   59    H    ILE   7           H        ILE   7   2.360  -1.846  -9.318
   60    HA   ILE   7           HA       ILE   7   2.949  -4.638  -9.870
   61    HB   ILE   7           HB       ILE   7   1.441  -3.213  -7.709
   62   HG12  ILE   7          2HG1      ILE   7   3.895  -3.580  -7.536
   63   HG13  ILE   7          3HG1      ILE   7   2.991  -4.387  -6.259
   64   HG21  ILE   7          1HG2      ILE   7  -0.095  -4.883  -7.895
   65   HG22  ILE   7          2HG2      ILE   7   1.047  -6.003  -8.635
   66   HG23  ILE   7          3HG2      ILE   7   1.098  -5.714  -6.897
   67   HD11  ILE   7          3HD1      ILE   7   3.155  -6.493  -7.553
   68   HD12  ILE   7          1HD1      ILE   7   4.188  -5.653  -8.709
   69   HD13  ILE   7          2HD1      ILE   7   4.712  -5.848  -7.036
   70    H    THR   8           H        THR   8   0.278  -2.365 -10.151
   71    HA   THR   8           HA       THR   8  -1.840  -4.036 -10.679
   72    HB   THR   8           HB       THR   8  -2.903  -2.242 -11.826
   73    HG1  THR   8           HG1      THR   8  -1.713  -0.512 -12.702
   74   HG21  THR   8          3HG2      THR   8  -2.599  -0.401 -10.324
   75   HG22  THR   8          1HG2      THR   8  -0.969  -0.934  -9.915
   76   HG23  THR   8          2HG2      THR   8  -2.363  -1.886  -9.405
   77    H    THR   9           H        THR   9   0.925  -3.374 -12.658
   78    HA   THR   9           HA       THR   9  -0.073  -4.096 -15.176
   79    HB   THR   9           HB       THR   9   2.621  -3.879 -13.964
   80    HG1  THR   9           HG1      THR   9   1.462  -2.235 -15.236
   81   HG21  THR   9          3HG2      THR   9   2.023  -5.615 -16.345
   82   HG22  THR   9          1HG2      THR   9   3.015  -5.985 -14.936
   83   HG23  THR   9          2HG2      THR   9   3.586  -4.826 -16.137
   84    H    ILE  10           H        ILE  10   1.775  -6.082 -12.856
   85    HA   ILE  10           HA       ILE  10   1.115  -8.494 -14.317
   86    HB   ILE  10           HB       ILE  10   2.621  -9.631 -12.947
   87   HG12  ILE  10          2HG1      ILE  10   1.480  -8.603 -10.833
   88   HG13  ILE  10          3HG1      ILE  10   3.151  -9.148 -10.736
   89   HG21  ILE  10          1HG2      ILE  10   4.612  -8.128 -12.754
   90   HG22  ILE  10          2HG2      ILE  10   3.826  -8.110 -14.332
   91   HG23  ILE  10          3HG2      ILE  10   3.563  -6.783 -13.201
   92   HD11  ILE  10          3HD1      ILE  10   3.965  -7.049 -10.503
   93   HD12  ILE  10          1HD1      ILE  10   2.688  -6.323 -11.478
   94   HD13  ILE  10          2HD1      ILE  10   2.362  -6.798  -9.811
   95    H    HIS  11           H        HIS  11  -0.033  -6.748 -11.564
   96    HA   HIS  11           HA       HIS  11  -1.264  -8.749 -10.079
   97    HB2  HIS  11           2HB      HIS  11  -1.088  -6.427  -9.310
   98    HB3  HIS  11           3HB      HIS  11  -2.226  -5.920 -10.554
   99    HD1  HIS  11           HD1      HIS  11  -2.572  -8.880  -8.207
  100    HD2  HIS  11           HD2      HIS  11  -4.388  -5.238  -9.047
  101    HE1  HIS  11           HE1      HIS  11  -4.647  -8.820  -6.787
  102    H    ASN  12           H        ASN  12  -2.021  -7.581 -13.203
  103    HA   ASN  12           HA       ASN  12  -4.796  -8.305 -13.193
  104    HB2  ASN  12           2HB      ASN  12  -2.905  -7.104 -15.059
  105    HB3  ASN  12           3HB      ASN  12  -3.986  -8.248 -15.849
  106   HD21  ASN  12          1HD2      ASN  12  -3.930  -5.449 -13.705
  107   HD22  ASN  12          2HD2      ASN  12  -5.458  -4.812 -14.203
  108    H    LEU  13           H        LEU  13  -1.858 -10.000 -13.537
  109    HA   LEU  13           HA       LEU  13  -3.304 -12.342 -14.590
  110    HB2  LEU  13           2HB      LEU  13  -1.408 -13.048 -15.748
  111    HB3  LEU  13           3HB      LEU  13  -1.487 -11.313 -16.045
  112    HG   LEU  13           HG       LEU  13   0.153 -11.600 -13.800
  113   HD11  LEU  13          1HD1      LEU  13   1.906 -13.128 -14.650
  114   HD12  LEU  13          2HD1      LEU  13   0.787 -13.664 -15.901
  115   HD13  LEU  13          3HD1      LEU  13   0.414 -13.955 -14.202
  116   HD21  LEU  13          3HD2      LEU  13   0.226 -10.035 -15.824
  117   HD22  LEU  13          1HD2      LEU  13   1.151 -11.312 -16.615
  118   HD23  LEU  13          2HD2      LEU  13   1.764 -10.563 -15.140
  119    H    PHE  14           H        PHE  14  -1.449 -11.019 -12.046
  120    HA   PHE  14           HA       PHE  14  -0.512 -13.503 -10.958
  121    HB2  PHE  14           2HB      PHE  14  -0.260 -10.672 -10.339
  122    HB3  PHE  14           3HB      PHE  14  -0.509 -11.640  -8.890
  123    HD1  PHE  14           HD2      PHE  14   1.088 -13.426  -8.306
  124    HD2  PHE  14           HD1      PHE  14   1.774 -10.766 -11.557
  125    HE1  PHE  14           HE2      PHE  14   3.464 -14.067  -8.325
  126    HE2  PHE  14           HE1      PHE  14   4.150 -11.403 -11.582
  127    HZ   PHE  14           HZ       PHE  14   4.998 -13.054  -9.963
  128    H    ARG  15           H        ARG  15  -3.397 -11.604 -10.722
  129    HA   ARG  15           HA       ARG  15  -4.418 -12.420  -8.271
  130    HB2  ARG  15           2HB      ARG  15  -6.650 -11.959  -9.249
  131    HB3  ARG  15           3HB      ARG  15  -5.488 -10.675  -9.553
  132    HG2  ARG  15           2HG      ARG  15  -6.116 -10.796 -11.679
  133    HG3  ARG  15           3HG      ARG  15  -5.217 -12.313 -11.752
  134    HD2  ARG  15           2HD      ARG  15  -7.260 -13.524 -11.097
  135    HD3  ARG  15           3HD      ARG  15  -8.145 -11.999 -11.098
  136    HE   ARG  15           HE       ARG  15  -6.904 -12.354 -13.595
  137   HH11  ARG  15          1HH1      ARG  15  -9.494 -13.655 -11.667
  138   HH12  ARG  15          2HH1      ARG  15 -10.435 -14.155 -13.033
  139   HH21  ARG  15          1HH2      ARG  15  -8.133 -13.008 -15.402
  140   HH22  ARG  15          2HH2      ARG  15  -9.660 -13.788 -15.157
  141    H    LYS  16           H        LYS  16  -4.118 -14.155 -11.260
  142    HA   LYS  16           HA       LYS  16  -6.020 -16.194 -10.717
  143    HB2  LYS  16           2HB      LYS  16  -3.577 -16.282 -12.498
  144    HB3  LYS  16           3HB      LYS  16  -4.912 -17.426 -12.528
  145    HG2  LYS  16           2HG      LYS  16  -6.254 -16.037 -13.682
  146    HG3  LYS  16           3HG      LYS  16  -5.651 -14.596 -12.861
  147    HD2  LYS  16           2HD      LYS  16  -4.670 -14.181 -14.847
  148    HD3  LYS  16           3HD      LYS  16  -3.457 -15.325 -14.268
  149    HE2  LYS  16           2HE      LYS  16  -5.874 -16.256 -15.780
  150    HE3  LYS  16           3HE      LYS  16  -4.447 -15.658 -16.625
  151    HZ1  LYS  16           3HZ      LYS  16  -3.926 -17.848 -16.499
  152    HZ2  LYS  16           1HZ      LYS  16  -4.797 -18.108 -15.072
  153    HZ3  LYS  16           2HZ      LYS  16  -3.280 -17.363 -15.013
  154    H    LEU  17           H        LEU  17  -2.753 -15.631  -9.717
  155    HA   LEU  17           HA       LEU  17  -2.384 -18.366  -8.798
  156    HB2  LEU  17           2HB      LEU  17  -0.537 -17.038  -9.822
  157    HB3  LEU  17           3HB      LEU  17  -0.586 -15.978  -8.415
  158    HG   LEU  17           HG       LEU  17  -0.122 -18.125  -7.059
  159   HD11  LEU  17          1HD1      LEU  17  -0.465 -19.815  -8.664
  160   HD12  LEU  17          2HD1      LEU  17   1.280 -19.736  -8.419
  161   HD13  LEU  17          3HD1      LEU  17   0.557 -19.004  -9.852
  162   HD21  LEU  17          3HD2      LEU  17   2.192 -17.363  -8.777
  163   HD22  LEU  17          1HD2      LEU  17   2.110 -17.594  -7.030
  164   HD23  LEU  17          2HD2      LEU  17   1.435 -16.137  -7.759
  165    H    THR  18           H        THR  18  -3.088 -15.184  -7.521
  166    HA   THR  18           HA       THR  18  -2.590 -15.585  -4.817
  167    HB   THR  18           HB       THR  18  -4.180 -13.803  -4.365
  168    HG1  THR  18           HG1      THR  18  -5.925 -14.065  -5.605
  169   HG21  THR  18          3HG2      THR  18  -3.370 -12.129  -6.129
  170   HG22  THR  18          1HG2      THR  18  -2.466 -13.479  -6.813
  171   HG23  THR  18          2HG2      THR  18  -2.144 -12.947  -5.162
  172    H    HIS  19           H        HIS  19  -5.380 -16.503  -6.764
  173    HA   HIS  19           HA       HIS  19  -7.160 -17.209  -4.749
  174    HB2  HIS  19           2HB      HIS  19  -7.108 -17.386  -7.518
  175    HB3  HIS  19           3HB      HIS  19  -7.222 -19.065  -6.998
  176    HD1  HIS  19           HD1      HIS  19  -8.953 -15.829  -5.954
  177    HD2  HIS  19           HD2      HIS  19  -9.808 -19.795  -6.850
  178    HE1  HIS  19           HE1      HIS  19 -11.445 -16.054  -5.699
  179    H    ARG  20           H        ARG  20  -4.280 -18.794  -5.836
  180    HA   ARG  20           HA       ARG  20  -4.936 -21.193  -4.278
  181    HB2  ARG  20           2HB      ARG  20  -2.682 -20.711  -6.237
  182    HB3  ARG  20           3HB      ARG  20  -3.016 -22.230  -5.414
  183    HG2  ARG  20           2HG      ARG  20  -4.657 -22.781  -6.833
  184    HG3  ARG  20           3HG      ARG  20  -5.289 -21.135  -6.901
  185    HD2  ARG  20           2HD      ARG  20  -3.358 -20.542  -8.372
  186    HD3  ARG  20           3HD      ARG  20  -2.929 -22.252  -8.406
  187    HE   ARG  20           HE       ARG  20  -5.019 -20.972  -9.878
  188   HH11  ARG  20          1HH1      ARG  20  -4.029 -23.968  -8.408
  189   HH12  ARG  20          2HH1      ARG  20  -4.996 -24.953  -9.455
  190   HH21  ARG  20          1HH2      ARG  20  -6.297 -22.258 -11.263
  191   HH22  ARG  20          2HH2      ARG  20  -6.285 -23.979 -11.079
  192    H    LEU  21           H        LEU  21  -2.861 -18.419  -4.371
  193    HA   LEU  21           HA       LEU  21  -0.875 -19.354  -2.571
  194    HB2  LEU  21           2HB      LEU  21  -1.745 -16.561  -3.290
  195    HB3  LEU  21           3HB      LEU  21  -0.331 -16.940  -2.310
  196    HG   LEU  21           HG       LEU  21  -0.579 -18.062  -5.073
  197   HD11  LEU  21          1HD1      LEU  21  -0.100 -15.236  -4.316
  198   HD12  LEU  21          2HD1      LEU  21  -0.829 -15.915  -5.771
  199   HD13  LEU  21          3HD1      LEU  21   0.923 -15.932  -5.573
  200   HD21  LEU  21          3HD2      LEU  21   1.349 -18.935  -4.355
  201   HD22  LEU  21          1HD2      LEU  21   1.448 -17.823  -2.989
  202   HD23  LEU  21          2HD2      LEU  21   2.016 -17.318  -4.581
  203    H    PHE  22           H        PHE  22  -3.135 -16.688  -1.925
  204    HA   PHE  22           HA       PHE  22  -2.974 -16.777   0.830
  205    HB2  PHE  22           2HB      PHE  22  -5.319 -15.947  -0.889
  206    HB3  PHE  22           3HB      PHE  22  -5.166 -15.594   0.828
  207    HD1  PHE  22           HD1      PHE  22  -3.900 -14.838  -2.523
  208    HD2  PHE  22           HD2      PHE  22  -3.655 -13.904   1.622
  209    HE1  PHE  22           HE1      PHE  22  -2.657 -12.785  -3.063
  210    HE2  PHE  22           HE2      PHE  22  -2.412 -11.849   1.089
  211    HZ   PHE  22           HZ       PHE  22  -1.912 -11.287  -1.256
  212    H    ARG  23           H        ARG  23  -4.935 -18.701  -1.338
  213    HA   ARG  23           HA       ARG  23  -6.632 -19.805   0.665
  214    HB2  ARG  23           2HB      ARG  23  -7.414 -19.846  -1.586
  215    HB3  ARG  23           3HB      ARG  23  -5.957 -20.656  -2.147
  216    HG2  ARG  23           2HG      ARG  23  -7.294 -22.206  -0.113
  217    HG3  ARG  23           3HG      ARG  23  -8.373 -21.836  -1.460
  218    HD2  ARG  23           2HD      ARG  23  -5.711 -22.631  -2.327
  219    HD3  ARG  23           3HD      ARG  23  -6.515 -23.873  -1.368
  220    HE   ARG  23           HE       ARG  23  -8.181 -22.765  -3.427
  221   HH11  ARG  23          1HH1      ARG  23  -5.747 -25.145  -2.698
  222   HH12  ARG  23          2HH1      ARG  23  -6.192 -26.190  -4.006
  223   HH21  ARG  23          1HH2      ARG  23  -8.776 -24.133  -5.152
  224   HH22  ARG  23          2HH2      ARG  23  -7.914 -25.613  -5.402
  225    H    ARG  24           H        ARG  24  -3.521 -20.681  -0.685
  226    HA   ARG  24           HA       ARG  24  -1.976 -22.246  -0.105
  227    HB2  ARG  24           2HB      ARG  24  -3.449 -21.694   2.394
  228    HB3  ARG  24           3HB      ARG  24  -2.543 -23.201   2.372
  229    HG2  ARG  24           2HG      ARG  24  -0.694 -22.082   2.832
  230    HG3  ARG  24           3HG      ARG  24  -0.859 -21.195   1.316
  231    HD2  ARG  24           2HD      ARG  24  -0.772 -19.532   2.959
  232    HD3  ARG  24           3HD      ARG  24  -2.487 -19.688   2.582
  233    HE   ARG  24           HE       ARG  24  -2.846 -20.366   4.730
  234   HH11  ARG  24          1HH1      ARG  24   0.533 -20.753   3.985
  235   HH12  ARG  24          2HH1      ARG  24   0.973 -21.192   5.602
  236   HH21  ARG  24          1HH2      ARG  24  -2.279 -20.943   6.863
  237   HH22  ARG  24          2HH2      ARG  24  -0.627 -21.300   7.239
  Start of MODEL   17
    1    H1   TRP   1           H        TRP   1   2.633  -0.304   0.753
    2    HA   TRP   1           HA       TRP   1   4.160  -0.471  -0.983
    3    HB2  TRP   1           2HB      TRP   1   2.573  -2.519  -1.679
    4    HB3  TRP   1           3HB      TRP   1   2.159  -1.400  -2.975
    5    HD1  TRP   1           HD1      TRP   1   3.705  -1.462  -5.018
    6    HE1  TRP   1           HE1      TRP   1   6.048  -2.397  -5.524
    7    HE3  TRP   1           HE3      TRP   1   5.006  -2.979  -0.313
    8    HZ2  TRP   1           HZ2      TRP   1   8.168  -3.618  -4.115
    9    HZ3  TRP   1           HZ3      TRP   1   7.210  -4.022   0.023
   10    HH2  TRP   1           HH2      TRP   1   8.756  -4.334  -1.841
   11    H    TRP   2           H        TRP   2   4.625   1.540  -1.567
   12    HA   TRP   2           HA       TRP   2   2.601   3.377  -2.453
   13    HB2  TRP   2           2HB      TRP   2   4.086   4.952  -1.855
   14    HB3  TRP   2           3HB      TRP   2   5.072   3.632  -1.233
   15    HD1  TRP   2           HD1      TRP   2   7.342   3.163  -2.421
   16    HE1  TRP   2           HE1      TRP   2   8.597   4.257  -4.384
   17    HE3  TRP   2           HE3      TRP   2   3.608   6.168  -4.200
   18    HZ2  TRP   2           HZ2      TRP   2   8.074   6.143  -6.417
   19    HZ3  TRP   2           HZ3      TRP   2   4.067   7.586  -6.158
   20    HH2  TRP   2           HH2      TRP   2   6.255   7.573  -7.241
   21    H    TRP   3           H        TRP   3   5.127   1.462  -3.943
   22    HA   TRP   3           HA       TRP   3   4.699   2.712  -6.537
   23    HB2  TRP   3           2HB      TRP   3   6.913   1.587  -5.362
   24    HB3  TRP   3           3HB      TRP   3   6.379   0.306  -6.446
   25    HD1  TRP   3           HD1      TRP   3   6.215   4.090  -7.209
   26    HE1  TRP   3           HE1      TRP   3   7.641   4.546  -9.303
   27    HE3  TRP   3           HE3      TRP   3   8.171  -0.583  -7.891
   28    HZ2  TRP   3           HZ2      TRP   3   9.366   3.114 -11.017
   29    HZ3  TRP   3           HZ3      TRP   3   9.701  -0.957  -9.782
   30    HH2  TRP   3           HH2      TRP   3  10.284   0.855 -11.312
   31    H    LYS   4           H        LYS   4   2.563   1.172  -5.214
   32    HA   LYS   4           HA       LYS   4   2.250  -1.364  -6.384
   33    HB2  LYS   4           2HB      LYS   4   0.935  -0.348  -4.450
   34    HB3  LYS   4           3HB      LYS   4  -0.014   0.494  -5.668
   35    HG2  LYS   4           2HG      LYS   4  -0.791  -1.575  -6.586
   36    HG3  LYS   4           3HG      LYS   4   0.295  -2.497  -5.543
   37    HD2  LYS   4           2HD      LYS   4  -1.937  -2.571  -4.632
   38    HD3  LYS   4           3HD      LYS   4  -0.909  -1.605  -3.571
   39    HE2  LYS   4           2HE      LYS   4  -1.999   0.175  -5.453
   40    HE3  LYS   4           3HE      LYS   4  -3.325  -0.866  -4.934
   41    HZ1  LYS   4           3HZ      LYS   4  -2.922  -0.286  -2.671
   42    HZ2  LYS   4           1HZ      LYS   4  -3.025   1.152  -3.557
   43    HZ3  LYS   4           2HZ      LYS   4  -1.515   0.566  -3.068
   44    H    TYR   5           H        TYR   5   2.084   1.745  -7.742
   45    HA   TYR   5           HA       TYR   5   0.155   1.404  -9.746
   46    HB2  TYR   5           2HB      TYR   5   2.684   3.040  -9.985
   47    HB3  TYR   5           3HB      TYR   5   1.167   3.291 -10.841
   48    HD1  TYR   5           HD2      TYR   5  -0.807   3.069  -8.682
   49    HD2  TYR   5           HD1      TYR   5   3.005   4.958  -8.710
   50    HE1  TYR   5           HE2      TYR   5  -1.558   4.599  -6.909
   51    HE2  TYR   5           HE1      TYR   5   2.265   6.492  -6.936
   52    HH   TYR   5           HH       TYR   5  -0.335   5.989  -5.038
   53    H    GLU   6           H        GLU   6   3.458   0.317  -9.498
   54    HA   GLU   6           HA       GLU   6   3.565  -0.483 -12.290
   55    HB2  GLU   6           2HB      GLU   6   5.613  -1.195 -10.209
   56    HB3  GLU   6           3HB      GLU   6   5.833  -0.979 -11.940
   57    HG2  GLU   6           2HG      GLU   6   5.214   1.217  -9.978
   58    HG3  GLU   6           3HG      GLU   6   6.807   0.848 -10.635
   59    H    ILE   7           H        ILE   7   2.315  -1.738  -9.478
   60    HA   ILE   7           HA       ILE   7   2.923  -4.521 -10.063
   61    HB   ILE   7           HB       ILE   7   1.480  -3.125  -7.839
   62   HG12  ILE   7          2HG1      ILE   7   3.942  -3.459  -7.760
   63   HG13  ILE   7          3HG1      ILE   7   3.098  -4.285  -6.454
   64   HG21  ILE   7          1HG2      ILE   7  -0.040  -4.815  -7.974
   65   HG22  ILE   7          2HG2      ILE   7   1.087  -5.916  -8.763
   66   HG23  ILE   7          3HG2      ILE   7   1.201  -5.634  -7.026
   67   HD11  ILE   7          3HD1      ILE   7   4.225  -5.518  -8.953
   68   HD12  ILE   7          1HD1      ILE   7   4.809  -5.718  -7.301
   69   HD13  ILE   7          2HD1      ILE   7   3.243  -6.381  -7.770
   70    H    THR   8           H        THR   8   0.214  -2.282 -10.232
   71    HA   THR   8           HA       THR   8  -1.901  -3.978 -10.687
   72    HB   THR   8           HB       THR   8  -3.029  -2.194 -11.786
   73    HG1  THR   8           HG1      THR   8  -0.489  -0.963 -12.196
   74   HG21  THR   8          3HG2      THR   8  -2.691  -0.354 -10.289
   75   HG22  THR   8          1HG2      THR   8  -1.041  -0.870  -9.941
   76   HG23  THR   8          2HG2      THR   8  -2.404  -1.841  -9.385
   77    H    THR   9           H        THR   9   0.779  -3.271 -12.767
   78    HA   THR   9           HA       THR   9  -0.305  -3.998 -15.248
   79    HB   THR   9           HB       THR   9   2.430  -3.751 -14.138
   80    HG1  THR   9           HG1      THR   9   1.383  -2.996 -16.673
   81   HG21  THR   9          3HG2      THR   9   1.764  -5.485 -16.502
   82   HG22  THR   9          1HG2      THR   9   2.815  -5.847 -15.134
   83   HG23  THR   9          2HG2      THR   9   3.324  -4.676 -16.350
   84    H    ILE  10           H        ILE  10   1.656  -5.968 -13.009
   85    HA   ILE  10           HA       ILE  10   0.973  -8.383 -14.454
   86    HB   ILE  10           HB       ILE  10   2.543  -9.506 -13.146
   87   HG12  ILE  10          2HG1      ILE  10   1.470  -8.499 -10.987
   88   HG13  ILE  10          3HG1      ILE  10   3.149  -9.025 -10.955
   89   HG21  ILE  10          1HG2      ILE  10   4.520  -7.978 -13.023
   90   HG22  ILE  10          2HG2      ILE  10   3.675  -7.964 -14.570
   91   HG23  ILE  10          3HG2      ILE  10   3.439  -6.644 -13.424
   92   HD11  ILE  10          3HD1      ILE  10   2.623  -6.202 -11.667
   93   HD12  ILE  10          1HD1      ILE  10   2.368  -6.687  -9.991
   94   HD13  ILE  10          2HD1      ILE  10   3.946  -6.916 -10.745
   95    H    HIS  11           H        HIS  11  -0.094  -6.662 -11.652
   96    HA   HIS  11           HA       HIS  11  -1.242  -8.686 -10.131
   97    HB2  HIS  11           2HB      HIS  11  -1.067  -6.365  -9.359
   98    HB3  HIS  11           3HB      HIS  11  -2.258  -5.867 -10.557
   99    HD1  HIS  11           HD1      HIS  11  -2.477  -8.841  -8.212
  100    HD2  HIS  11           HD2      HIS  11  -4.369  -5.220  -8.965
  101    HE1  HIS  11           HE1      HIS  11  -4.496  -8.814  -6.714
  102    H    ASN  12           H        ASN  12  -2.131  -7.515 -13.219
  103    HA   ASN  12           HA       ASN  12  -4.894  -8.275 -13.107
  104    HB2  ASN  12           2HB      ASN  12  -3.023  -7.312 -15.226
  105    HB3  ASN  12           3HB      ASN  12  -4.507  -8.117 -15.726
  106   HD21  ASN  12          1HD2      ASN  12  -3.773  -5.391 -16.175
  107   HD22  ASN  12          2HD2      ASN  12  -4.960  -4.409 -15.393
  108    H    LEU  13           H        LEU  13  -1.949  -9.930 -13.570
  109    HA   LEU  13           HA       LEU  13  -3.403 -12.286 -14.580
  110    HB2  LEU  13           2HB      LEU  13  -1.564 -12.949 -15.832
  111    HB3  LEU  13           3HB      LEU  13  -1.637 -11.206 -16.081
  112    HG   LEU  13           HG       LEU  13   0.077 -11.546 -13.909
  113   HD11  LEU  13          1HD1      LEU  13   1.447 -13.310 -14.243
  114   HD12  LEU  13          2HD1      LEU  13   1.237 -13.285 -15.994
  115   HD13  LEU  13          3HD1      LEU  13  -0.003 -14.005 -14.967
  116   HD21  LEU  13          3HD2      LEU  13   1.112 -11.291 -16.695
  117   HD22  LEU  13          1HD2      LEU  13   1.579 -10.419 -15.234
  118   HD23  LEU  13          2HD2      LEU  13   0.060 -10.034 -16.044
  119    H    PHE  14           H        PHE  14  -1.474 -10.950 -12.100
  120    HA   PHE  14           HA       PHE  14  -0.463 -13.427 -11.060
  121    HB2  PHE  14           2HB      PHE  14  -0.225 -10.595 -10.437
  122    HB3  PHE  14           3HB      PHE  14  -0.407 -11.573  -8.984
  123    HD1  PHE  14           HD2      PHE  14   1.235 -13.341  -8.471
  124    HD2  PHE  14           HD1      PHE  14   1.763 -10.656 -11.731
  125    HE1  PHE  14           HE2      PHE  14   3.616 -13.950  -8.583
  126    HE2  PHE  14           HE1      PHE  14   4.145 -11.262 -11.849
  127    HZ   PHE  14           HZ       PHE  14   5.074 -12.910 -10.272
  128    H    ARG  15           H        ARG  15  -3.369 -11.583 -10.725
  129    HA   ARG  15           HA       ARG  15  -4.296 -12.387  -8.238
  130    HB2  ARG  15           2HB      ARG  15  -6.572 -12.021  -9.165
  131    HB3  ARG  15           3HB      ARG  15  -5.461 -10.703  -9.515
  132    HG2  ARG  15           2HG      ARG  15  -6.187 -10.879 -11.611
  133    HG3  ARG  15           3HG      ARG  15  -5.166 -12.315 -11.706
  134    HD2  ARG  15           2HD      ARG  15  -6.933 -13.749 -11.556
  135    HD3  ARG  15           3HD      ARG  15  -7.892 -12.637 -10.582
  136    HE   ARG  15           HE       ARG  15  -7.624 -11.552 -13.144
  137   HH11  ARG  15          1HH1      ARG  15  -9.128 -14.263 -11.560
  138   HH12  ARG  15          2HH1      ARG  15 -10.422 -14.382 -12.706
  139   HH21  ARG  15          1HH2      ARG  15  -9.323 -11.698 -14.659
  140   HH22  ARG  15          2HH2      ARG  15 -10.531 -12.923 -14.469
  141    H    LYS  16           H        LYS  16  -4.131 -14.148 -11.243
  142    HA   LYS  16           HA       LYS  16  -5.930 -16.225 -10.637
  143    HB2  LYS  16           2HB      LYS  16  -4.971 -17.404 -12.461
  144    HB3  LYS  16           3HB      LYS  16  -4.909 -15.699 -12.890
  145    HG2  LYS  16           2HG      LYS  16  -2.802 -16.239 -13.476
  146    HG3  LYS  16           3HG      LYS  16  -2.497 -15.943 -11.762
  147    HD2  LYS  16           2HD      LYS  16  -2.477 -18.237 -11.259
  148    HD3  LYS  16           3HD      LYS  16  -3.243 -18.666 -12.790
  149    HE2  LYS  16           2HE      LYS  16  -1.246 -18.047 -14.003
  150    HE3  LYS  16           3HE      LYS  16  -0.484 -17.479 -12.518
  151    HZ1  LYS  16           3HZ      LYS  16  -0.540 -20.088 -13.584
  152    HZ2  LYS  16           1HZ      LYS  16  -1.283 -20.096 -12.064
  153    HZ3  LYS  16           2HZ      LYS  16   0.296 -19.515 -12.230
  154    H    LEU  17           H        LEU  17  -2.704 -15.570  -9.574
  155    HA   LEU  17           HA       LEU  17  -2.361 -18.272  -8.523
  156    HB2  LEU  17           2HB      LEU  17  -0.481 -17.139  -9.653
  157    HB3  LEU  17           3HB      LEU  17  -0.506 -15.897  -8.402
  158    HG   LEU  17           HG       LEU  17  -0.196 -18.109  -6.883
  159   HD11  LEU  17          1HD1      LEU  17   0.550 -19.877  -7.990
  160   HD12  LEU  17          2HD1      LEU  17   1.833 -18.916  -8.725
  161   HD13  LEU  17          3HD1      LEU  17   0.256 -19.024  -9.506
  162   HD21  LEU  17          3HD2      LEU  17   2.246 -16.944  -8.128
  163   HD22  LEU  17          1HD2      LEU  17   1.894 -17.285  -6.434
  164   HD23  LEU  17          2HD2      LEU  17   1.163 -15.886  -7.221
  165    H    THR  18           H        THR  18  -2.948 -14.988  -7.461
  166    HA   THR  18           HA       THR  18  -2.419 -15.219  -4.743
  167    HB   THR  18           HB       THR  18  -3.942 -13.358  -4.393
  168    HG1  THR  18           HG1      THR  18  -5.304 -12.668  -6.081
  169   HG21  THR  18          3HG2      THR  18  -3.108 -11.838  -6.285
  170   HG22  THR  18          1HG2      THR  18  -2.255 -13.262  -6.878
  171   HG23  THR  18          2HG2      THR  18  -1.895 -12.623  -5.274
  172    H    HIS  19           H        HIS  19  -5.267 -16.176  -6.583
  173    HA   HIS  19           HA       HIS  19  -6.969 -16.728  -4.416
  174    HB2  HIS  19           2HB      HIS  19  -6.939 -17.216  -7.285
  175    HB3  HIS  19           3HB      HIS  19  -7.666 -18.552  -6.398
  176    HD1  HIS  19           HD1      HIS  19  -9.772 -17.933  -4.895
  177    HD2  HIS  19           HD2      HIS  19  -8.506 -14.976  -7.525
  178    HE1  HIS  19           HE1      HIS  19 -11.682 -16.305  -5.045
  179    H    ARG  20           H        ARG  20  -4.241 -18.409  -5.665
  180    HA   ARG  20           HA       ARG  20  -4.943 -20.823  -4.143
  181    HB2  ARG  20           2HB      ARG  20  -2.696 -20.490  -6.134
  182    HB3  ARG  20           3HB      ARG  20  -3.296 -21.994  -5.448
  183    HG2  ARG  20           2HG      ARG  20  -4.848 -20.170  -7.273
  184    HG3  ARG  20           3HG      ARG  20  -4.040 -21.663  -7.755
  185    HD2  ARG  20           2HD      ARG  20  -5.469 -22.931  -6.234
  186    HD3  ARG  20           3HD      ARG  20  -6.265 -21.441  -5.730
  187    HE   ARG  20           HE       ARG  20  -6.387 -21.905  -8.562
  188   HH11  ARG  20          1HH1      ARG  20  -7.879 -22.578  -5.489
  189   HH12  ARG  20          2HH1      ARG  20  -9.438 -22.904  -6.170
  190   HH21  ARG  20          1HH2      ARG  20  -8.435 -22.333  -9.471
  191   HH22  ARG  20          2HH2      ARG  20  -9.753 -22.766  -8.435
  192    H    LEU  21           H        LEU  21  -2.979 -18.053  -4.079
  193    HA   LEU  21           HA       LEU  21  -0.948 -19.227  -2.362
  194    HB2  LEU  21           2HB      LEU  21   0.075 -17.681  -3.690
  195    HB3  LEU  21           3HB      LEU  21  -1.340 -16.632  -3.744
  196    HG   LEU  21           HG       LEU  21  -0.829 -15.849  -1.471
  197   HD11  LEU  21          1HD1      LEU  21   1.860 -16.665  -1.209
  198   HD12  LEU  21          2HD1      LEU  21   0.895 -18.117  -1.472
  199   HD13  LEU  21          3HD1      LEU  21   0.500 -17.024  -0.146
  200   HD21  LEU  21          3HD2      LEU  21   1.435 -15.617  -3.450
  201   HD22  LEU  21          1HD2      LEU  21   1.202 -14.573  -2.048
  202   HD23  LEU  21          2HD2      LEU  21   0.011 -14.580  -3.349
  203    H    PHE  22           H        PHE  22  -3.741 -17.114  -2.146
  204    HA   PHE  22           HA       PHE  22  -3.276 -16.571   0.667
  205    HB2  PHE  22           2HB      PHE  22  -5.318 -15.679  -1.344
  206    HB3  PHE  22           3HB      PHE  22  -5.605 -15.440   0.376
  207    HD1  PHE  22           HD1      PHE  22  -4.105 -13.986   1.688
  208    HD2  PHE  22           HD2      PHE  22  -3.764 -14.343  -2.539
  209    HE1  PHE  22           HE1      PHE  22  -2.762 -11.925   1.626
  210    HE2  PHE  22           HE2      PHE  22  -2.420 -12.283  -2.608
  211    HZ   PHE  22           HZ       PHE  22  -1.917 -11.072  -0.524
  212    H    ARG  23           H        ARG  23  -5.122 -18.727  -1.318
  213    HA   ARG  23           HA       ARG  23  -7.075 -19.464   0.604
  214    HB2  ARG  23           2HB      ARG  23  -7.530 -19.938  -1.688
  215    HB3  ARG  23           3HB      ARG  23  -6.027 -20.832  -1.870
  216    HG2  ARG  23           2HG      ARG  23  -7.714 -21.949   0.205
  217    HG3  ARG  23           3HG      ARG  23  -8.522 -21.893  -1.363
  218    HD2  ARG  23           2HD      ARG  23  -5.777 -22.794  -1.587
  219    HD3  ARG  23           3HD      ARG  23  -6.714 -23.809  -0.491
  220    HE   ARG  23           HE       ARG  23  -6.952 -23.679  -3.328
  221   HH11  ARG  23          1HH1      ARG  23  -8.744 -24.209  -0.390
  222   HH12  ARG  23          2HH1      ARG  23  -9.958 -25.182  -1.152
  223   HH21  ARG  23          1HH2      ARG  23  -8.545 -24.959  -4.342
  224   HH22  ARG  23          2HH2      ARG  23  -9.844 -25.608  -3.400
  225    H    ARG  24           H        ARG  24  -3.805 -20.498  -0.047
  226    HA   ARG  24           HA       ARG  24  -3.950 -22.864   1.571
  227    HB2  ARG  24           2HB      ARG  24  -2.120 -21.751  -0.276
  228    HB3  ARG  24           3HB      ARG  24  -1.260 -21.917   1.248
  229    HG2  ARG  24           2HG      ARG  24  -0.924 -24.045   0.743
  230    HG3  ARG  24           3HG      ARG  24  -2.658 -24.309   0.934
  231    HD2  ARG  24           2HD      ARG  24  -3.048 -24.296  -1.313
  232    HD3  ARG  24           3HD      ARG  24  -1.711 -23.196  -1.647
  233    HE   ARG  24           HE       ARG  24  -1.619 -26.068  -1.581
  234   HH11  ARG  24          1HH1      ARG  24   0.228 -23.133  -1.271
  235   HH12  ARG  24          2HH1      ARG  24   1.733 -23.882  -1.689
  236   HH21  ARG  24          1HH2      ARG  24   0.357 -27.066  -2.133
  237   HH22  ARG  24          2HH2      ARG  24   1.805 -26.119  -2.180
  Start of MODEL   18
    1    H1   TRP   1           H        TRP   1   3.328  -0.975   1.252
    2    HA   TRP   1           HA       TRP   1   4.286  -0.795  -0.806
    3    HB2  TRP   1           2HB      TRP   1   2.566  -2.907  -0.886
    4    HB3  TRP   1           3HB      TRP   1   1.981  -1.945  -2.241
    5    HD1  TRP   1           HD1      TRP   1   3.070  -2.612  -4.445
    6    HE1  TRP   1           HE1      TRP   1   5.340  -3.581  -5.176
    7    HE3  TRP   1           HE3      TRP   1   5.343  -2.887   0.125
    8    HZ2  TRP   1           HZ2      TRP   1   7.772  -4.360  -3.973
    9    HZ3  TRP   1           HZ3      TRP   1   7.642  -3.756   0.249
   10    HH2  TRP   1           HH2      TRP   1   8.829  -4.478  -1.759
   11    H    TRP   2           H        TRP   2   4.489   1.191  -1.604
   12    HA   TRP   2           HA       TRP   2   2.111   2.663  -2.454
   13    HB2  TRP   2           2HB      TRP   2   3.205   4.449  -1.673
   14    HB3  TRP   2           3HB      TRP   2   4.543   3.401  -1.211
   15    HD1  TRP   2           HD1      TRP   2   3.647   6.165  -3.556
   16    HE1  TRP   2           HE1      TRP   2   5.630   6.670  -5.118
   17    HE3  TRP   2           HE3      TRP   2   6.558   2.093  -2.515
   18    HZ2  TRP   2           HZ2      TRP   2   8.100   5.496  -5.817
   19    HZ3  TRP   2           HZ3      TRP   2   8.716   1.858  -3.674
   20    HH2  TRP   2           HH2      TRP   2   9.469   3.526  -5.291
   21    H    TRP   3           H        TRP   3   4.780   0.931  -3.744
   22    HA   TRP   3           HA       TRP   3   4.625   2.186  -6.355
   23    HB2  TRP   3           2HB      TRP   3   6.640   0.883  -4.995
   24    HB3  TRP   3           3HB      TRP   3   6.129  -0.320  -6.176
   25    HD1  TRP   3           HD1      TRP   3   6.155   3.450  -6.930
   26    HE1  TRP   3           HE1      TRP   3   7.861   3.890  -8.806
   27    HE3  TRP   3           HE3      TRP   3   8.185  -1.228  -7.294
   28    HZ2  TRP   3           HZ2      TRP   3   9.809   2.445 -10.250
   29    HZ3  TRP   3           HZ3      TRP   3   9.965  -1.616  -8.949
   30    HH2  TRP   3           HH2      TRP   3  10.758   0.184 -10.395
   31    H    LYS   4           H        LYS   4   2.414   0.522  -5.027
   32    HA   LYS   4           HA       LYS   4   2.039  -1.878  -6.386
   33    HB2  LYS   4           2HB      LYS   4   0.612  -0.409  -4.543
   34    HB3  LYS   4           3HB      LYS   4  -0.428  -0.356  -5.960
   35    HG2  LYS   4           2HG      LYS   4   0.678  -2.996  -5.235
   36    HG3  LYS   4           3HG      LYS   4  -0.527  -2.308  -4.143
   37    HD2  LYS   4           2HD      LYS   4  -2.113  -2.099  -5.940
   38    HD3  LYS   4           3HD      LYS   4  -0.900  -2.593  -7.123
   39    HE2  LYS   4           2HE      LYS   4  -2.324  -4.466  -6.676
   40    HE3  LYS   4           3HE      LYS   4  -0.747  -4.786  -5.957
   41    HZ1  LYS   4           3HZ      LYS   4  -3.249  -4.754  -4.703
   42    HZ2  LYS   4           1HZ      LYS   4  -2.329  -3.494  -4.049
   43    HZ3  LYS   4           2HZ      LYS   4  -1.737  -5.078  -4.016
   44    H    TYR   5           H        TYR   5   1.873   1.344  -7.537
   45    HA   TYR   5           HA       TYR   5   0.043   1.126  -9.631
   46    HB2  TYR   5           2HB      TYR   5   2.587   2.750  -9.724
   47    HB3  TYR   5           3HB      TYR   5   1.075   3.075 -10.564
   48    HD1  TYR   5           HD2      TYR   5  -0.954   2.850  -8.537
   49    HD2  TYR   5           HD1      TYR   5   2.973   4.455  -8.213
   50    HE1  TYR   5           HE2      TYR   5  -1.693   4.266  -6.667
   51    HE2  TYR   5           HE1      TYR   5   2.245   5.874  -6.341
   52    HH   TYR   5           HH       TYR   5  -0.406   5.394  -4.593
   53    H    GLU   6           H        GLU   6   3.311  -0.033  -9.333
   54    HA   GLU   6           HA       GLU   6   3.467  -0.691 -12.170
   55    HB2  GLU   6           2HB      GLU   6   5.543  -1.474 -10.157
   56    HB3  GLU   6           3HB      GLU   6   5.740  -1.076 -11.858
   57    HG2  GLU   6           2HG      GLU   6   4.807   1.273 -10.874
   58    HG3  GLU   6           3HG      GLU   6   5.729   0.661  -9.501
   59    H    ILE   7           H        ILE   7   1.993  -2.026  -9.619
   60    HA   ILE   7           HA       ILE   7   2.722  -4.794 -10.269
   61    HB   ILE   7           HB       ILE   7   1.363  -3.536  -7.912
   62   HG12  ILE   7          2HG1      ILE   7   3.829  -3.838  -7.948
   63   HG13  ILE   7          3HG1      ILE   7   3.050  -4.752  -6.661
   64   HG21  ILE   7          1HG2      ILE   7  -0.147  -5.245  -8.145
   65   HG22  ILE   7          2HG2      ILE   7   1.012  -6.307  -8.942
   66   HG23  ILE   7          3HG2      ILE   7   1.105  -6.051  -7.200
   67   HD11  ILE   7          3HD1      ILE   7   3.166  -6.765  -8.104
   68   HD12  ILE   7          1HD1      ILE   7   4.090  -5.820  -9.271
   69   HD13  ILE   7          2HD1      ILE   7   4.740  -6.109  -7.657
   70    H    THR   8           H        THR   8  -0.018  -2.578 -10.140
   71    HA   THR   8           HA       THR   8  -2.141  -4.241 -10.614
   72    HB   THR   8           HB       THR   8  -3.316  -2.404 -11.566
   73    HG1  THR   8           HG1      THR   8  -2.252  -0.642 -12.487
   74   HG21  THR   8          3HG2      THR   8  -2.934  -0.663  -9.986
   75   HG22  THR   8          1HG2      THR   8  -1.247  -1.132  -9.780
   76   HG23  THR   8          2HG2      THR   8  -2.532  -2.179  -9.179
   77    H    THR   9           H        THR   9   0.385  -3.303 -12.830
   78    HA   THR   9           HA       THR   9  -0.772  -3.919 -15.276
   79    HB   THR   9           HB       THR   9   1.335  -2.907 -15.402
   80    HG1  THR   9           HG1      THR   9   1.182  -4.497 -16.998
   81   HG21  THR   9          3HG2      THR   9   2.912  -3.183 -13.853
   82   HG22  THR   9          1HG2      THR   9   3.112  -4.876 -14.303
   83   HG23  THR   9          2HG2      THR   9   1.907  -4.420 -13.099
   84    H    ILE  10           H        ILE  10   1.146  -6.073 -13.178
   85    HA   ILE  10           HA       ILE  10   0.314  -8.376 -14.753
   86    HB   ILE  10           HB       ILE  10   1.928  -9.638 -13.609
   87   HG12  ILE  10          2HG1      ILE  10   1.133  -8.626 -11.336
   88   HG13  ILE  10          3HG1      ILE  10   2.781  -9.226 -11.486
   89   HG21  ILE  10          1HG2      ILE  10   3.974  -8.123 -13.595
   90   HG22  ILE  10          2HG2      ILE  10   3.055  -8.214 -15.096
   91   HG23  ILE  10          3HG2      ILE  10   2.870  -6.819 -14.034
   92   HD11  ILE  10          3HD1      ILE  10   2.135  -6.831 -10.460
   93   HD12  ILE  10          1HD1      ILE  10   3.681  -7.187 -11.230
   94   HD13  ILE  10          2HD1      ILE  10   2.402  -6.388 -12.145
   95    H    HIS  11           H        HIS  11  -0.499  -6.773 -11.815
   96    HA   HIS  11           HA       HIS  11  -1.553  -8.827 -10.275
   97    HB2  HIS  11           2HB      HIS  11  -1.303  -6.482  -9.513
   98    HB3  HIS  11           3HB      HIS  11  -2.651  -6.020 -10.547
   99    HD1  HIS  11           HD1      HIS  11  -2.541  -9.067  -8.306
  100    HD2  HIS  11           HD2      HIS  11  -4.497  -5.415  -8.621
  101    HE1  HIS  11           HE1      HIS  11  -4.339  -9.114  -6.550
  102    H    ASN  12           H        ASN  12  -2.667  -7.555 -13.254
  103    HA   ASN  12           HA       ASN  12  -5.414  -8.312 -12.970
  104    HB2  ASN  12           2HB      ASN  12  -3.697  -7.194 -15.103
  105    HB3  ASN  12           3HB      ASN  12  -5.068  -8.152 -15.654
  106   HD21  ASN  12          1HD2      ASN  12  -4.124  -5.390 -13.705
  107   HD22  ASN  12          2HD2      ASN  12  -5.636  -4.560 -13.815
  108    H    LEU  13           H        LEU  13  -2.521  -9.975 -13.680
  109    HA   LEU  13           HA       LEU  13  -4.061 -12.298 -14.638
  110    HB2  LEU  13           2HB      LEU  13  -2.318 -12.944 -16.022
  111    HB3  LEU  13           3HB      LEU  13  -2.364 -11.192 -16.211
  112    HG   LEU  13           HG       LEU  13  -0.529 -11.475 -14.217
  113   HD11  LEU  13          1HD1      LEU  13   0.651 -13.381 -14.315
  114   HD12  LEU  13          2HD1      LEU  13   0.480 -13.520 -16.065
  115   HD13  LEU  13          3HD1      LEU  13  -0.828 -14.049 -15.006
  116   HD21  LEU  13          3HD2      LEU  13   1.002 -11.550 -16.501
  117   HD22  LEU  13          1HD2      LEU  13   0.317 -10.103 -15.760
  118   HD23  LEU  13          2HD2      LEU  13  -0.540 -10.912 -17.073
  119    H    PHE  14           H        PHE  14  -1.924 -11.040 -12.274
  120    HA   PHE  14           HA       PHE  14  -0.918 -13.560 -11.342
  121    HB2  PHE  14           2HB      PHE  14  -0.565 -10.742 -10.687
  122    HB3  PHE  14           3HB      PHE  14  -0.645 -11.755  -9.249
  123    HD1  PHE  14           HD2      PHE  14   0.996 -13.567  -8.921
  124    HD2  PHE  14           HD1      PHE  14   1.306 -10.805 -12.144
  125    HE1  PHE  14           HE2      PHE  14   3.346 -14.217  -9.247
  126    HE2  PHE  14           HE1      PHE  14   3.657 -11.452 -12.477
  127    HZ   PHE  14           HZ       PHE  14   4.680 -13.159 -11.026
  128    H    ARG  15           H        ARG  15  -3.801 -11.773 -10.904
  129    HA   ARG  15           HA       ARG  15  -4.569 -12.507  -8.325
  130    HB2  ARG  15           2HB      ARG  15  -6.844 -12.036  -9.026
  131    HB3  ARG  15           3HB      ARG  15  -5.753 -10.838  -9.708
  132    HG2  ARG  15           2HG      ARG  15  -5.782 -12.565 -11.737
  133    HG3  ARG  15           3HG      ARG  15  -7.367 -12.918 -11.047
  134    HD2  ARG  15           2HD      ARG  15  -6.495 -10.099 -11.577
  135    HD3  ARG  15           3HD      ARG  15  -7.188 -11.094 -12.857
  136    HE   ARG  15           HE       ARG  15  -8.844 -11.147 -10.567
  137   HH11  ARG  15          1HH1      ARG  15  -7.884  -9.085 -13.203
  138   HH12  ARG  15          2HH1      ARG  15  -9.368  -8.191 -13.215
  139   HH21  ARG  15          1HH2      ARG  15 -10.802  -9.977 -10.573
  140   HH22  ARG  15          2HH2      ARG  15 -11.027  -8.699 -11.718
  141    H    LYS  16           H        LYS  16  -4.352 -14.373 -11.212
  142    HA   LYS  16           HA       LYS  16  -6.161 -16.448 -10.407
  143    HB2  LYS  16           2HB      LYS  16  -5.488 -17.592 -12.369
  144    HB3  LYS  16           3HB      LYS  16  -5.503 -15.885 -12.792
  145    HG2  LYS  16           2HG      LYS  16  -2.976 -15.993 -12.167
  146    HG3  LYS  16           3HG      LYS  16  -3.186 -17.726 -12.425
  147    HD2  LYS  16           2HD      LYS  16  -4.232 -15.856 -14.490
  148    HD3  LYS  16           3HD      LYS  16  -2.487 -16.102 -14.393
  149    HE2  LYS  16           2HE      LYS  16  -2.721 -18.445 -14.754
  150    HE3  LYS  16           3HE      LYS  16  -4.471 -18.361 -14.565
  151    HZ1  LYS  16           3HZ      LYS  16  -3.846 -18.530 -16.888
  152    HZ2  LYS  16           1HZ      LYS  16  -2.908 -17.128 -16.769
  153    HZ3  LYS  16           2HZ      LYS  16  -4.587 -17.040 -16.587
  154    H    LEU  17           H        LEU  17  -2.948 -15.623  -9.633
  155    HA   LEU  17           HA       LEU  17  -2.075 -18.295  -8.993
  156    HB2  LEU  17           2HB      LEU  17  -0.527 -16.511  -9.739
  157    HB3  LEU  17           3HB      LEU  17  -0.851 -15.646  -8.238
  158    HG   LEU  17           HG       LEU  17   0.111 -17.578  -6.993
  159   HD11  LEU  17          1HD1      LEU  17  -0.079 -19.423  -8.382
  160   HD12  LEU  17          2HD1      LEU  17   1.638 -19.033  -8.480
  161   HD13  LEU  17          3HD1      LEU  17   0.551 -18.560  -9.786
  162   HD21  LEU  17          3HD2      LEU  17   2.343 -16.912  -7.302
  163   HD22  LEU  17          1HD2      LEU  17   1.380 -15.498  -7.729
  164   HD23  LEU  17          2HD2      LEU  17   2.076 -16.506  -8.998
  165    H    THR  18           H        THR  18  -3.550 -15.606  -7.338
  166    HA   THR  18           HA       THR  18  -2.989 -16.122  -4.696
  167    HB   THR  18           HB       THR  18  -5.115 -15.071  -4.122
  168    HG1  THR  18           HG1      THR  18  -6.643 -14.649  -5.742
  169   HG21  THR  18          3HG2      THR  18  -4.911 -13.022  -5.638
  170   HG22  THR  18          1HG2      THR  18  -3.604 -13.891  -6.440
  171   HG23  THR  18          2HG2      THR  18  -3.477 -13.493  -4.727
  172    H    HIS  19           H        HIS  19  -5.182 -17.823  -6.837
  173    HA   HIS  19           HA       HIS  19  -6.741 -19.246  -5.074
  174    HB2  HIS  19           2HB      HIS  19  -5.863 -19.567  -7.834
  175    HB3  HIS  19           3HB      HIS  19  -6.127 -21.114  -7.036
  176    HD1  HIS  19           HD1      HIS  19  -8.039 -17.824  -7.294
  177    HD2  HIS  19           HD2      HIS  19  -8.677 -21.929  -7.329
  178    HE1  HIS  19           HE1      HIS  19 -10.511 -18.117  -7.653
  179    H    ARG  20           H        ARG  20  -3.363 -19.668  -5.822
  180    HA   ARG  20           HA       ARG  20  -3.273 -21.963  -3.975
  181    HB2  ARG  20           2HB      ARG  20  -1.519 -22.910  -5.195
  182    HB3  ARG  20           3HB      ARG  20  -2.592 -22.288  -6.441
  183    HG2  ARG  20           2HG      ARG  20  -0.656 -21.480  -7.265
  184    HG3  ARG  20           3HG      ARG  20  -1.009 -20.158  -6.150
  185    HD2  ARG  20           2HD      ARG  20   0.782 -20.616  -4.903
  186    HD3  ARG  20           3HD      ARG  20   0.386 -22.333  -4.841
  187    HE   ARG  20           HE       ARG  20   1.516 -21.492  -7.347
  188   HH11  ARG  20          1HH1      ARG  20   2.205 -22.598  -4.118
  189   HH12  ARG  20          2HH1      ARG  20   3.768 -23.224  -4.526
  190   HH21  ARG  20          1HH2      ARG  20   3.572 -22.313  -7.896
  191   HH22  ARG  20          2HH2      ARG  20   4.545 -23.061  -6.675
  192    H    LEU  21           H        LEU  21  -2.099 -18.802  -4.710
  193    HA   LEU  21           HA       LEU  21   0.273 -18.721  -3.256
  194    HB2  LEU  21           2HB      LEU  21  -1.186 -16.930  -4.692
  195    HB3  LEU  21           3HB      LEU  21  -1.409 -16.324  -3.052
  196    HG   LEU  21           HG       LEU  21   1.373 -16.922  -3.835
  197   HD11  LEU  21          1HD1      LEU  21   0.033 -15.760  -5.803
  198   HD12  LEU  21          2HD1      LEU  21   1.677 -15.283  -5.382
  199   HD13  LEU  21          3HD1      LEU  21   0.309 -14.329  -4.809
  200   HD21  LEU  21          3HD2      LEU  21   0.401 -15.841  -1.678
  201   HD22  LEU  21          1HD2      LEU  21   0.329 -14.379  -2.663
  202   HD23  LEU  21          2HD2      LEU  21   1.874 -15.188  -2.396
  203    H    PHE  22           H        PHE  22  -2.801 -17.331  -2.105
  204    HA   PHE  22           HA       PHE  22  -2.072 -18.223   0.607
  205    HB2  PHE  22           2HB      PHE  22  -2.891 -16.223   1.532
  206    HB3  PHE  22           3HB      PHE  22  -2.003 -15.700   0.105
  207    HD1  PHE  22           HD2      PHE  22  -5.305 -16.098   1.618
  208    HD2  PHE  22           HD1      PHE  22  -3.152 -14.803  -1.818
  209    HE1  PHE  22           HE2      PHE  22  -7.312 -14.931   0.805
  210    HE2  PHE  22           HE1      PHE  22  -5.156 -13.633  -2.637
  211    HZ   PHE  22           HZ       PHE  22  -7.240 -13.697  -1.326
  212    H    ARG  23           H        ARG  23  -4.587 -17.834  -1.782
  213    HA   ARG  23           HA       ARG  23  -6.839 -18.419  -0.249
  214    HB2  ARG  23           2HB      ARG  23  -6.896 -17.629  -2.596
  215    HB3  ARG  23           3HB      ARG  23  -6.325 -19.207  -3.122
  216    HG2  ARG  23           2HG      ARG  23  -8.691 -19.082  -3.457
  217    HG3  ARG  23           3HG      ARG  23  -8.362 -20.219  -2.148
  218    HD2  ARG  23           2HD      ARG  23  -9.634 -19.042  -0.761
  219    HD3  ARG  23           3HD      ARG  23  -8.666 -17.598  -1.057
  220    HE   ARG  23           HE       ARG  23 -10.441 -17.975  -3.202
  221   HH11  ARG  23          1HH1      ARG  23 -10.445 -17.097   0.167
  222   HH12  ARG  23          2HH1      ARG  23 -11.872 -16.122   0.046
  223   HH21  ARG  23          1HH2      ARG  23 -12.321 -16.694  -3.374
  224   HH22  ARG  23          2HH2      ARG  23 -12.939 -15.894  -1.969
  225    H    ARG  24           H        ARG  24  -4.294 -20.476  -1.392
  226    HA   ARG  24           HA       ARG  24  -5.479 -22.968  -1.416
  227    HB2  ARG  24           2HB      ARG  24  -3.281 -23.889  -0.965
  228    HB3  ARG  24           3HB      ARG  24  -3.135 -22.520  -2.059
  229    HG2  ARG  24           2HG      ARG  24  -1.442 -22.016  -0.647
  230    HG3  ARG  24           3HG      ARG  24  -2.756 -21.227   0.228
  231    HD2  ARG  24           2HD      ARG  24  -2.897 -22.940   1.803
  232    HD3  ARG  24           3HD      ARG  24  -2.043 -24.085   0.770
  233    HE   ARG  24           HE       ARG  24  -0.074 -23.319   1.633
  234   HH11  ARG  24          1HH1      ARG  24  -2.558 -20.958   2.245
  235   HH12  ARG  24          2HH1      ARG  24  -1.543 -19.953   3.225
  236   HH21  ARG  24          1HH2      ARG  24   1.272 -22.005   2.922
  237   HH22  ARG  24          2HH2      ARG  24   0.635 -20.549   3.609
  Start of MODEL   19
    1    H1   TRP   1           H        TRP   1   2.389   0.368   1.089
    2    HA   TRP   1           HA       TRP   1   3.635   0.009  -0.841
    3    HB2  TRP   1           2HB      TRP   1   2.023  -2.188  -0.966
    4    HB3  TRP   1           3HB      TRP   1   1.494  -1.297  -2.391
    5    HD1  TRP   1           HD1      TRP   1   2.726  -2.112  -4.467
    6    HE1  TRP   1           HE1      TRP   1   5.102  -2.941  -5.009
    7    HE3  TRP   1           HE3      TRP   1   4.776  -1.817   0.207
    8    HZ2  TRP   1           HZ2      TRP   1   7.524  -3.409  -3.637
    9    HZ3  TRP   1           HZ3      TRP   1   7.128  -2.475   0.507
   10    HH2  TRP   1           HH2      TRP   1   8.472  -3.255  -1.377
   11    H    TRP   2           H        TRP   2   3.786   1.992  -1.664
   12    HA   TRP   2           HA       TRP   2   1.409   3.319  -2.716
   13    HB2  TRP   2           2HB      TRP   2   2.380   5.153  -1.889
   14    HB3  TRP   2           3HB      TRP   2   3.775   4.195  -1.400
   15    HD1  TRP   2           HD1      TRP   2   2.691   6.806  -3.876
   16    HE1  TRP   2           HE1      TRP   2   4.678   7.448  -5.381
   17    HE3  TRP   2           HE3      TRP   2   5.953   3.103  -2.537
   18    HZ2  TRP   2           HZ2      TRP   2   7.283   6.509  -5.928
   19    HZ3  TRP   2           HZ3      TRP   2   8.172   3.046  -3.598
   20    HH2  TRP   2           HH2      TRP   2   8.821   4.714  -5.259
   21    H    TRP   3           H        TRP   3   4.282   1.735  -3.786
   22    HA   TRP   3           HA       TRP   3   4.150   2.858  -6.459
   23    HB2  TRP   3           2HB      TRP   3   6.212   1.845  -4.951
   24    HB3  TRP   3           3HB      TRP   3   5.875   0.519  -6.060
   25    HD1  TRP   3           HD1      TRP   3   5.655   4.254  -6.997
   26    HE1  TRP   3           HE1      TRP   3   7.363   4.715  -8.867
   27    HE3  TRP   3           HE3      TRP   3   7.942  -0.315  -7.150
   28    HZ2  TRP   3           HZ2      TRP   3   9.408   3.325 -10.227
   29    HZ3  TRP   3           HZ3      TRP   3   9.765  -0.668  -8.765
   30    HH2  TRP   3           HH2      TRP   3  10.481   1.115 -10.271
   31    H    LYS   4           H        LYS   4   1.995   1.115  -5.222
   32    HA   LYS   4           HA       LYS   4   1.922  -1.398  -6.426
   33    HB2  LYS   4           2HB      LYS   4   0.332  -0.254  -4.681
   34    HB3  LYS   4           3HB      LYS   4  -0.581   0.216  -6.108
   35    HG2  LYS   4           2HG      LYS   4  -1.001  -2.031  -6.699
   36    HG3  LYS   4           3HG      LYS   4   0.185  -2.632  -5.539
   37    HD2  LYS   4           2HD      LYS   4  -1.267  -2.535  -3.829
   38    HD3  LYS   4           3HD      LYS   4  -1.916  -0.977  -4.347
   39    HE2  LYS   4           2HE      LYS   4  -2.574  -3.473  -5.862
   40    HE3  LYS   4           3HE      LYS   4  -3.442  -3.079  -4.380
   41    HZ1  LYS   4           3HZ      LYS   4  -3.575  -0.757  -5.681
   42    HZ2  LYS   4           1HZ      LYS   4  -4.760  -1.959  -5.790
   43    HZ3  LYS   4           2HZ      LYS   4  -3.577  -1.828  -6.991
   44    H    TYR   5           H        TYR   5   1.615   1.715  -7.812
   45    HA   TYR   5           HA       TYR   5  -0.030   1.221 -10.011
   46    HB2  TYR   5           2HB      TYR   5   2.390   3.027 -10.031
   47    HB3  TYR   5           3HB      TYR   5   0.932   3.178 -11.005
   48    HD1  TYR   5           HD2      TYR   5  -1.218   2.889  -9.082
   49    HD2  TYR   5           HD1      TYR   5   2.512   4.894  -8.667
   50    HE1  TYR   5           HE2      TYR   5  -2.207   4.363  -7.380
   51    HE2  TYR   5           HE1      TYR   5   1.533   6.373  -6.963
   52    HH   TYR   5           HH       TYR   5  -1.751   5.885  -5.774
   53    H    GLU   6           H        GLU   6   3.283   0.345  -9.400
   54    HA   GLU   6           HA       GLU   6   3.738  -0.449 -12.161
   55    HB2  GLU   6           2HB      GLU   6   5.637  -1.077  -9.937
   56    HB3  GLU   6           3HB      GLU   6   5.979  -0.683 -11.616
   57    HG2  GLU   6           2HG      GLU   6   5.011   1.253  -9.525
   58    HG3  GLU   6           3HG      GLU   6   6.671   1.096 -10.097
   59    H    ILE   7           H        ILE   7   2.114  -1.758  -9.663
   60    HA   ILE   7           HA       ILE   7   3.000  -4.510 -10.164
   61    HB   ILE   7           HB       ILE   7   1.421  -3.239  -7.955
   62   HG12  ILE   7          2HG1      ILE   7   3.894  -3.427  -7.805
   63   HG13  ILE   7          3HG1      ILE   7   3.064  -4.333  -6.545
   64   HG21  ILE   7          1HG2      ILE   7   0.009  -5.023  -8.233
   65   HG22  ILE   7          2HG2      ILE   7   1.268  -6.055  -8.907
   66   HG23  ILE   7          3HG2      ILE   7   1.223  -5.739  -7.173
   67   HD11  ILE   7          3HD1      ILE   7   4.883  -5.639  -7.369
   68   HD12  ILE   7          1HD1      ILE   7   3.375  -6.386  -7.897
   69   HD13  ILE   7          2HD1      ILE   7   4.337  -5.439  -9.033
   70    H    THR   8           H        THR   8   0.174  -2.410 -10.318
   71    HA   THR   8           HA       THR   8  -1.842  -4.178 -10.877
   72    HB   THR   8           HB       THR   8  -3.017  -2.426 -11.979
   73    HG1  THR   8           HG1      THR   8  -2.024  -1.109 -13.300
   74   HG21  THR   8          3HG2      THR   8  -2.821  -0.618 -10.442
   75   HG22  THR   8          1HG2      THR   8  -1.136  -1.006 -10.099
   76   HG23  THR   8          2HG2      THR   8  -2.419  -2.085  -9.552
   77    H    THR   9           H        THR   9   0.798  -3.208 -12.942
   78    HA   THR   9           HA       THR   9  -0.152  -3.957 -15.439
   79    HB   THR   9           HB       THR   9   1.917  -2.861 -15.452
   80    HG1  THR   9           HG1      THR   9   2.839  -5.503 -15.844
   81   HG21  THR   9          3HG2      THR   9   3.684  -4.715 -14.156
   82   HG22  THR   9          1HG2      THR   9   2.379  -4.268 -13.058
   83   HG23  THR   9          2HG2      THR   9   3.388  -3.017 -13.785
   84    H    ILE  10           H        ILE  10   1.693  -5.955 -13.131
   85    HA   ILE  10           HA       ILE  10   1.071  -8.343 -14.674
   86    HB   ILE  10           HB       ILE  10   2.645  -9.496 -13.369
   87   HG12  ILE  10          2HG1      ILE  10   1.648  -8.435 -11.200
   88   HG13  ILE  10          3HG1      ILE  10   3.324  -8.973 -11.208
   89   HG21  ILE  10          1HG2      ILE  10   4.623  -7.895 -13.267
   90   HG22  ILE  10          2HG2      ILE  10   3.821  -8.081 -14.826
   91   HG23  ILE  10          3HG2      ILE  10   3.504  -6.657 -13.835
   92   HD11  ILE  10          3HD1      ILE  10   2.881  -6.178 -12.002
   93   HD12  ILE  10          1HD1      ILE  10   2.518  -6.572 -10.322
   94   HD13  ILE  10          2HD1      ILE  10   4.125  -6.889 -10.975
   95    H    HIS  11           H        HIS  11  -0.020  -6.676 -11.864
   96    HA   HIS  11           HA       HIS  11  -1.101  -8.718 -10.328
   97    HB2  HIS  11           2HB      HIS  11  -1.001  -6.339  -9.640
   98    HB3  HIS  11           3HB      HIS  11  -2.289  -5.973 -10.784
   99    HD1  HIS  11           HD1      HIS  11  -2.217  -8.933  -8.429
  100    HD2  HIS  11           HD2      HIS  11  -4.290  -5.381  -9.014
  101    HE1  HIS  11           HE1      HIS  11  -4.133  -8.997  -6.802
  102    H    ASN  12           H        ASN  12  -2.042  -7.599 -13.425
  103    HA   ASN  12           HA       ASN  12  -4.770  -8.464 -13.311
  104    HB2  ASN  12           2HB      ASN  12  -3.000  -7.211 -15.263
  105    HB3  ASN  12           3HB      ASN  12  -4.070  -8.404 -15.993
  106   HD21  ASN  12          1HD2      ASN  12  -4.386  -5.998 -13.401
  107   HD22  ASN  12          2HD2      ASN  12  -5.817  -5.261 -14.030
  108    H    LEU  13           H        LEU  13  -1.768 -10.024 -13.746
  109    HA   LEU  13           HA       LEU  13  -3.138 -12.441 -14.729
  110    HB2  LEU  13           2HB      LEU  13  -1.251 -13.070 -15.936
  111    HB3  LEU  13           3HB      LEU  13  -1.394 -11.339 -16.229
  112    HG   LEU  13           HG       LEU  13   0.304 -11.510 -14.043
  113   HD11  LEU  13          1HD1      LEU  13   1.482 -13.385 -16.019
  114   HD12  LEU  13          2HD1      LEU  13   0.327 -14.029 -14.853
  115   HD13  LEU  13          3HD1      LEU  13   1.788 -13.218 -14.290
  116   HD21  LEU  13          3HD2      LEU  13   0.410  -9.985 -15.999
  117   HD22  LEU  13          1HD2      LEU  13   1.077 -11.312 -16.951
  118   HD23  LEU  13          2HD2      LEU  13   1.971 -10.684 -15.565
  119    H    PHE  14           H        PHE  14  -1.233 -11.014 -12.264
  120    HA   PHE  14           HA       PHE  14  -0.199 -13.456 -11.168
  121    HB2  PHE  14           2HB      PHE  14  -0.009 -10.605 -10.593
  122    HB3  PHE  14           3HB      PHE  14  -0.153 -11.572  -9.129
  123    HD1  PHE  14           HD2      PHE  14   1.532 -13.300  -8.620
  124    HD2  PHE  14           HD1      PHE  14   1.964 -10.635 -11.910
  125    HE1  PHE  14           HE2      PHE  14   3.924 -13.860  -8.754
  126    HE2  PHE  14           HE1      PHE  14   4.357 -11.191 -12.050
  127    HZ   PHE  14           HZ       PHE  14   5.340 -12.804 -10.470
  128    H    ARG  15           H        ARG  15  -3.118 -11.621 -10.859
  129    HA   ARG  15           HA       ARG  15  -4.028 -12.423  -8.357
  130    HB2  ARG  15           2HB      ARG  15  -6.248 -11.886  -9.136
  131    HB3  ARG  15           3HB      ARG  15  -5.115 -10.714  -9.796
  132    HG2  ARG  15           2HG      ARG  15  -5.098 -12.352 -11.843
  133    HG3  ARG  15           3HG      ARG  15  -6.654 -12.850 -11.176
  134    HD2  ARG  15           2HD      ARG  15  -5.842 -10.065 -11.997
  135    HD3  ARG  15           3HD      ARG  15  -6.996 -11.114 -12.819
  136    HE   ARG  15           HE       ARG  15  -7.495  -9.464 -10.543
  137   HH11  ARG  15          1HH1      ARG  15  -8.416 -12.425 -12.127
  138   HH12  ARG  15          2HH1      ARG  15 -10.008 -12.448 -11.443
  139   HH21  ARG  15          1HH2      ARG  15  -9.588  -9.484  -9.636
  140   HH22  ARG  15          2HH2      ARG  15 -10.674 -10.775 -10.027
  141    H    LYS  16           H        LYS  16  -3.772 -14.200 -11.318
  142    HA   LYS  16           HA       LYS  16  -5.609 -16.277 -10.644
  143    HB2  LYS  16           2HB      LYS  16  -5.079 -15.908 -12.960
  144    HB3  LYS  16           3HB      LYS  16  -3.361 -16.131 -12.656
  145    HG2  LYS  16           2HG      LYS  16  -5.050 -18.405 -11.893
  146    HG3  LYS  16           3HG      LYS  16  -5.019 -18.040 -13.620
  147    HD2  LYS  16           2HD      LYS  16  -2.368 -17.907 -12.485
  148    HD3  LYS  16           3HD      LYS  16  -3.117 -19.472 -12.161
  149    HE2  LYS  16           2HE      LYS  16  -3.374 -19.951 -14.428
  150    HE3  LYS  16           3HE      LYS  16  -3.197 -18.262 -14.901
  151    HZ1  LYS  16           3HZ      LYS  16  -0.872 -19.186 -13.563
  152    HZ2  LYS  16           1HZ      LYS  16  -1.021 -18.527 -15.114
  153    HZ3  LYS  16           2HZ      LYS  16  -1.231 -20.188 -14.877
  154    H    LEU  17           H        LEU  17  -2.295 -15.611  -9.901
  155    HA   LEU  17           HA       LEU  17  -1.726 -18.324  -9.052
  156    HB2  LEU  17           2HB      LEU  17   0.009 -16.931 -10.098
  157    HB3  LEU  17           3HB      LEU  17  -0.102 -15.801  -8.750
  158    HG   LEU  17           HG       LEU  17   0.450 -18.138  -7.459
  159   HD11  LEU  17          1HD1      LEU  17   1.419 -18.353 -10.237
  160   HD12  LEU  17          2HD1      LEU  17   1.029 -19.612  -9.066
  161   HD13  LEU  17          3HD1      LEU  17   2.574 -18.767  -8.970
  162   HD21  LEU  17          3HD2      LEU  17   1.488 -15.896  -7.177
  163   HD22  LEU  17          1HD2      LEU  17   2.506 -16.238  -8.576
  164   HD23  LEU  17          2HD2      LEU  17   2.644 -17.228  -7.123
  165    H    THR  18           H        THR  18  -2.573 -15.237  -7.632
  166    HA   THR  18           HA       THR  18  -1.932 -15.694  -4.969
  167    HB   THR  18           HB       THR  18  -3.607 -14.035  -4.385
  168    HG1  THR  18           HG1      THR  18  -4.503 -13.850  -7.040
  169   HG21  THR  18          3HG2      THR  18  -2.962 -12.225  -6.008
  170   HG22  THR  18          1HG2      THR  18  -2.137 -13.462  -6.956
  171   HG23  THR  18          2HG2      THR  18  -1.607 -13.113  -5.310
  172    H    HIS  19           H        HIS  19  -4.742 -16.728  -6.827
  173    HA   HIS  19           HA       HIS  19  -6.302 -17.667  -4.684
  174    HB2  HIS  19           2HB      HIS  19  -6.509 -17.587  -7.491
  175    HB3  HIS  19           3HB      HIS  19  -6.674 -19.282  -7.043
  176    HD1  HIS  19           HD1      HIS  19  -9.127 -19.665  -7.226
  177    HD2  HIS  19           HD2      HIS  19  -8.231 -16.206  -5.107
  178    HE1  HIS  19           HE1      HIS  19 -11.327 -18.835  -6.334
  179    H    ARG  20           H        ARG  20  -3.473 -18.923  -6.170
  180    HA   ARG  20           HA       ARG  20  -3.892 -21.548  -4.913
  181    HB2  ARG  20           2HB      ARG  20  -1.844 -20.731  -6.983
  182    HB3  ARG  20           3HB      ARG  20  -2.097 -22.357  -6.362
  183    HG2  ARG  20           2HG      ARG  20  -3.961 -22.695  -7.608
  184    HG3  ARG  20           3HG      ARG  20  -4.429 -20.994  -7.572
  185    HD2  ARG  20           2HD      ARG  20  -3.527 -20.686  -9.576
  186    HD3  ARG  20           3HD      ARG  20  -1.960 -21.220  -8.967
  187    HE   ARG  20           HE       ARG  20  -2.284 -23.228 -10.011
  188   HH11  ARG  20          1HH1      ARG  20  -5.336 -21.569  -9.775
  189   HH12  ARG  20          2HH1      ARG  20  -6.184 -22.718 -10.755
  190   HH21  ARG  20          1HH2      ARG  20  -3.390 -24.747 -11.304
  191   HH22  ARG  20          2HH2      ARG  20  -5.077 -24.526 -11.624
  192    H    LEU  21           H        LEU  21  -2.204 -18.623  -4.589
  193    HA   LEU  21           HA       LEU  21  -0.007 -19.778  -3.069
  194    HB2  LEU  21           2HB      LEU  21   0.827 -18.018  -4.257
  195    HB3  LEU  21           3HB      LEU  21  -0.675 -17.101  -4.160
  196    HG   LEU  21           HG       LEU  21  -0.148 -16.513  -1.832
  197   HD11  LEU  21          1HD1      LEU  21   1.613 -18.656  -1.981
  198   HD12  LEU  21          2HD1      LEU  21   1.443 -17.513  -0.649
  199   HD13  LEU  21          3HD1      LEU  21   2.648 -17.230  -1.905
  200   HD21  LEU  21          3HD2      LEU  21   2.044 -15.219  -2.452
  201   HD22  LEU  21          1HD2      LEU  21   0.515 -14.821  -3.236
  202   HD23  LEU  21          2HD2      LEU  21   1.698 -15.828  -4.071
  203    H    PHE  22           H        PHE  22  -2.969 -17.967  -2.559
  204    HA   PHE  22           HA       PHE  22  -2.448 -17.742   0.299
  205    HB2  PHE  22           2HB      PHE  22  -4.617 -16.688  -1.507
  206    HB3  PHE  22           3HB      PHE  22  -4.748 -16.600   0.247
  207    HD1  PHE  22           HD2      PHE  22  -2.998 -15.331   1.529
  208    HD2  PHE  22           HD1      PHE  22  -3.342 -15.134  -2.709
  209    HE1  PHE  22           HE2      PHE  22  -1.687 -13.249   1.523
  210    HE2  PHE  22           HE1      PHE  22  -2.031 -13.052  -2.722
  211    HZ   PHE  22           HZ       PHE  22  -1.203 -12.106  -0.604
  212    H    ARG  23           H        ARG  23  -4.368 -19.584  -1.951
  213    HA   ARG  23           HA       ARG  23  -5.572 -21.041   0.310
  214    HB2  ARG  23           2HB      ARG  23  -6.664 -20.985  -2.499
  215    HB3  ARG  23           3HB      ARG  23  -7.468 -21.533  -1.034
  216    HG2  ARG  23           2HG      ARG  23  -6.671 -18.682  -1.580
  217    HG3  ARG  23           3HG      ARG  23  -8.281 -19.350  -1.854
  218    HD2  ARG  23           2HD      ARG  23  -8.434 -19.918   0.531
  219    HD3  ARG  23           3HD      ARG  23  -6.837 -19.216   0.791
  220    HE   ARG  23           HE       ARG  23  -8.336 -17.228  -0.374
  221   HH11  ARG  23          1HH1      ARG  23  -8.543 -19.179   2.502
  222   HH12  ARG  23          2HH1      ARG  23  -9.369 -17.966   3.423
  223   HH21  ARG  23          1HH2      ARG  23  -9.423 -15.623   0.828
  224   HH22  ARG  23          2HH2      ARG  23  -9.870 -15.944   2.469
  225    H    ARG  24           H        ARG  24  -2.946 -21.462  -0.973
  226    HA   ARG  24           HA       ARG  24  -1.695 -23.094  -2.011
  227    HB2  ARG  24           2HB      ARG  24  -1.791 -25.176  -0.837
  228    HB3  ARG  24           3HB      ARG  24  -2.155 -23.901   0.318
  229    HG2  ARG  24           2HG      ARG  24  -4.449 -25.177  -1.048
  230    HG3  ARG  24           3HG      ARG  24  -3.577 -26.137   0.149
  231    HD2  ARG  24           2HD      ARG  24  -4.205 -23.379   0.958
  232    HD3  ARG  24           3HD      ARG  24  -5.600 -24.433   0.731
  233    HE   ARG  24           HE       ARG  24  -3.638 -25.738   2.288
  234   HH11  ARG  24          1HH1      ARG  24  -6.015 -23.200   2.459
  235   HH12  ARG  24          2HH1      ARG  24  -6.266 -23.372   4.165
  236   HH21  ARG  24          1HH2      ARG  24  -3.959 -25.974   4.534
  237   HH22  ARG  24          2HH2      ARG  24  -5.095 -24.949   5.344
  Start of MODEL   20
    1    H1   TRP   1           H        TRP   1   2.102  -0.888   0.801
    2    HA   TRP   1           HA       TRP   1   3.965  -1.192  -0.937
    3    HB2  TRP   1           2HB      TRP   1   2.463  -3.375  -1.526
    4    HB3  TRP   1           3HB      TRP   1   1.878  -2.245  -2.744
    5    HD1  TRP   1           HD1      TRP   1   3.077  -2.808  -4.930
    6    HE1  TRP   1           HE1      TRP   1   5.504  -3.298  -5.631
    7    HE3  TRP   1           HE3      TRP   1   5.277  -2.772  -0.316
    8    HZ2  TRP   1           HZ2      TRP   1   8.019  -3.626  -4.392
    9    HZ3  TRP   1           HZ3      TRP   1   7.698  -3.183  -0.160
   10    HH2  TRP   1           HH2      TRP   1   9.039  -3.601  -2.157
   11    H    TRP   2           H        TRP   2   4.081   0.906  -1.389
   12    HA   TRP   2           HA       TRP   2   1.712   2.434  -2.037
   13    HB2  TRP   2           2HB      TRP   2   2.902   4.211  -1.340
   14    HB3  TRP   2           3HB      TRP   2   4.098   3.040  -0.793
   15    HD1  TRP   2           HD1      TRP   2   6.413   3.031  -1.995
   16    HE1  TRP   2           HE1      TRP   2   7.466   4.456  -3.861
   17    HE3  TRP   2           HE3      TRP   2   2.229   5.501  -3.588
   18    HZ2  TRP   2           HZ2      TRP   2   6.633   6.374  -5.758
   19    HZ3  TRP   2           HZ3      TRP   2   2.444   7.114  -5.433
   20    HH2  TRP   2           HH2      TRP   2   4.601   7.541  -6.494
   21    H    TRP   3           H        TRP   3   4.485   1.093  -3.689
   22    HA   TRP   3           HA       TRP   3   3.839   2.475  -6.166
   23    HB2  TRP   3           2HB      TRP   3   6.206   1.574  -5.095
   24    HB3  TRP   3           3HB      TRP   3   5.842   0.335  -6.293
   25    HD1  TRP   3           HD1      TRP   3   5.128   4.108  -6.711
   26    HE1  TRP   3           HE1      TRP   3   6.451   4.951  -8.751
   27    HE3  TRP   3           HE3      TRP   3   7.736  -0.151  -7.803
   28    HZ2  TRP   3           HZ2      TRP   3   8.350   3.944 -10.581
   29    HZ3  TRP   3           HZ3      TRP   3   9.285  -0.128  -9.715
   30    HH2  TRP   3           HH2      TRP   3   9.584   1.878 -11.074
   31    H    LYS   4           H        LYS   4   1.971   0.528  -4.964
   32    HA   LYS   4           HA       LYS   4   1.999  -1.916  -6.345
   33    HB2  LYS   4           2HB      LYS   4   0.580  -1.301  -4.340
   34    HB3  LYS   4           3HB      LYS   4  -0.474  -0.434  -5.449
   35    HG2  LYS   4           2HG      LYS   4  -1.054  -2.445  -6.589
   36    HG3  LYS   4           3HG      LYS   4   0.172  -3.360  -5.709
   37    HD2  LYS   4           2HD      LYS   4  -1.130  -3.584  -3.882
   38    HD3  LYS   4           3HD      LYS   4  -1.776  -1.947  -4.019
   39    HE2  LYS   4           2HE      LYS   4  -3.449  -2.595  -5.489
   40    HE3  LYS   4           3HE      LYS   4  -2.593  -4.058  -5.975
   41    HZ1  LYS   4           3HZ      LYS   4  -3.014  -4.956  -3.742
   42    HZ2  LYS   4           1HZ      LYS   4  -4.445  -4.628  -4.582
   43    HZ3  LYS   4           2HZ      LYS   4  -3.922  -3.579  -3.363
   44    H    TYR   5           H        TYR   5   1.355   1.245  -7.434
   45    HA   TYR   5           HA       TYR   5  -0.521   0.813  -9.458
   46    HB2  TYR   5           2HB      TYR   5   1.779   2.767  -9.593
   47    HB3  TYR   5           3HB      TYR   5   0.223   2.892 -10.404
   48    HD1  TYR   5           HD2      TYR   5  -1.684   2.305  -8.286
   49    HD2  TYR   5           HD1      TYR   5   1.922   4.558  -8.128
   50    HE1  TYR   5           HE2      TYR   5  -2.575   3.587  -6.386
   51    HE2  TYR   5           HE1      TYR   5   1.041   5.846  -6.227
   52    HH   TYR   5           HH       TYR   5  -2.174   5.876  -5.359
   53    H    GLU   6           H        GLU   6   2.894   0.130  -9.312
   54    HA   GLU   6           HA       GLU   6   3.045  -0.447 -12.159
   55    HB2  GLU   6           2HB      GLU   6   5.250  -1.085 -10.243
   56    HB3  GLU   6           3HB      GLU   6   5.346  -0.543 -11.913
   57    HG2  GLU   6           2HG      GLU   6   4.535   1.152  -9.562
   58    HG3  GLU   6           3HG      GLU   6   6.111   1.167 -10.352
   59    H    ILE   7           H        ILE   7   1.818  -2.029  -9.605
   60    HA   ILE   7           HA       ILE   7   2.821  -4.671 -10.393
   61    HB   ILE   7           HB       ILE   7   1.422  -3.663  -7.942
   62   HG12  ILE   7          2HG1      ILE   7   3.903  -3.678  -8.074
   63   HG13  ILE   7          3HG1      ILE   7   3.282  -4.721  -6.800
   64   HG21  ILE   7          1HG2      ILE   7   0.108  -5.524  -8.193
   65   HG22  ILE   7          2HG2      ILE   7   1.349  -6.417  -9.069
   66   HG23  ILE   7          3HG2      ILE   7   1.477  -6.214  -7.322
   67   HD11  ILE   7          3HD1      ILE   7   5.078  -5.836  -7.907
   68   HD12  ILE   7          1HD1      ILE   7   3.573  -6.655  -8.323
   69   HD13  ILE   7          2HD1      ILE   7   4.336  -5.568  -9.484
   70    H    THR   8           H        THR   8  -0.136  -2.778 -10.094
   71    HA   THR   8           HA       THR   8  -2.082  -4.650 -10.554
   72    HB   THR   8           HB       THR   8  -3.485  -2.924 -11.395
   73    HG1  THR   8           HG1      THR   8  -2.735  -1.170 -12.456
   74   HG21  THR   8          3HG2      THR   8  -3.238  -1.207  -9.765
   75   HG22  THR   8          1HG2      THR   8  -1.502  -1.487  -9.638
   76   HG23  THR   8          2HG2      THR   8  -2.637  -2.692  -9.029
   77    H    THR   9           H        THR   9   0.241  -3.363 -12.818
   78    HA   THR   9           HA       THR   9  -0.934  -4.021 -15.244
   79    HB   THR   9           HB       THR   9   1.044  -2.779 -15.403
   80    HG1  THR   9           HG1      THR   9   1.724  -3.904 -17.053
   81   HG21  THR   9          3HG2      THR   9   2.700  -2.932 -13.921
   82   HG22  THR   9          1HG2      THR   9   3.065  -4.577 -14.440
   83   HG23  THR   9          2HG2      THR   9   1.864  -4.296 -13.179
   84    H    ILE  10           H        ILE  10   1.287  -6.020 -13.296
   85    HA   ILE  10           HA       ILE  10   0.653  -8.346 -14.927
   86    HB   ILE  10           HB       ILE  10   2.436  -9.460 -13.884
   87   HG12  ILE  10          2HG1      ILE  10   1.624  -8.613 -11.551
   88   HG13  ILE  10          3HG1      ILE  10   3.320  -9.024 -11.779
   89   HG21  ILE  10          1HG2      ILE  10   4.304  -7.729 -13.887
   90   HG22  ILE  10          2HG2      ILE  10   3.344  -7.876 -15.358
   91   HG23  ILE  10          3HG2      ILE  10   3.049  -6.543 -14.242
   92   HD11  ILE  10          3HD1      ILE  10   2.460  -6.749 -10.645
   93   HD12  ILE  10          1HD1      ILE  10   4.003  -6.908 -11.484
   94   HD13  ILE  10          2HD1      ILE  10   2.610  -6.226 -12.323
   95    H    HIS  11           H        HIS  11  -0.220  -6.943 -11.905
   96    HA   HIS  11           HA       HIS  11  -0.984  -9.151 -10.408
   97    HB2  HIS  11           2HB      HIS  11  -0.962  -6.819  -9.569
   98    HB3  HIS  11           3HB      HIS  11  -2.392  -6.476 -10.538
   99    HD1  HIS  11           HD1      HIS  11  -1.863  -9.566  -8.420
  100    HD2  HIS  11           HD2      HIS  11  -4.216  -6.143  -8.525
  101    HE1  HIS  11           HE1      HIS  11  -3.576  -9.871  -6.604
  102    H    ASN  12           H        ASN  12  -2.341  -7.911 -13.298
  103    HA   ASN  12           HA       ASN  12  -4.976  -8.977 -12.949
  104    HB2  ASN  12           2HB      ASN  12  -3.522  -7.484 -14.994
  105    HB3  ASN  12           3HB      ASN  12  -4.596  -8.699 -15.680
  106   HD21  ASN  12          1HD2      ASN  12  -4.666  -6.349 -13.017
  107   HD22  ASN  12          2HD2      ASN  12  -6.235  -5.725 -13.386
  108    H    LEU  13           H        LEU  13  -1.947 -10.283 -13.818
  109    HA   LEU  13           HA       LEU  13  -3.258 -12.728 -14.812
  110    HB2  LEU  13           2HB      LEU  13  -1.473 -13.146 -16.252
  111    HB3  LEU  13           3HB      LEU  13  -1.782 -11.419 -16.421
  112    HG   LEU  13           HG       LEU  13   0.176 -11.655 -14.425
  113   HD11  LEU  13          1HD1      LEU  13   1.016 -13.713 -14.863
  114   HD12  LEU  13          2HD1      LEU  13   1.886 -12.814 -16.105
  115   HD13  LEU  13          3HD1      LEU  13   0.434 -13.721 -16.528
  116   HD21  LEU  13          3HD2      LEU  13   0.632 -11.001 -17.327
  117   HD22  LEU  13          1HD2      LEU  13   1.497 -10.380 -15.920
  118   HD23  LEU  13          2HD2      LEU  13  -0.177  -9.904 -16.206
  119    H    PHE  14           H        PHE  14  -1.185 -11.323 -12.476
  120    HA   PHE  14           HA       PHE  14   0.128 -13.744 -11.675
  121    HB2  PHE  14           2HB      PHE  14   0.191 -10.930 -10.925
  122    HB3  PHE  14           3HB      PHE  14   0.274 -11.993  -9.524
  123    HD1  PHE  14           HD2      PHE  14   2.116 -13.621  -9.315
  124    HD2  PHE  14           HD1      PHE  14   2.005 -10.736 -12.442
  125    HE1  PHE  14           HE2      PHE  14   4.510 -13.994  -9.740
  126    HE2  PHE  14           HE1      PHE  14   4.399 -11.105 -12.873
  127    HZ   PHE  14           HZ       PHE  14   5.655 -12.735 -11.520
  128    H    ARG  15           H        ARG  15  -2.885 -12.224 -10.991
  129    HA   ARG  15           HA       ARG  15  -3.466 -13.179  -8.447
  130    HB2  ARG  15           2HB      ARG  15  -5.845 -12.992  -9.112
  131    HB3  ARG  15           3HB      ARG  15  -4.902 -11.574  -9.549
  132    HG2  ARG  15           2HG      ARG  15  -4.687 -13.005 -11.820
  133    HG3  ARG  15           3HG      ARG  15  -6.271 -13.539 -11.254
  134    HD2  ARG  15           2HD      ARG  15  -5.365 -10.722 -11.813
  135    HD3  ARG  15           3HD      ARG  15  -6.603 -11.644 -12.665
  136    HE   ARG  15           HE       ARG  15  -7.334 -11.445  -9.969
  137   HH11  ARG  15          1HH1      ARG  15  -6.959  -9.427 -12.781
  138   HH12  ARG  15          2HH1      ARG  15  -8.163  -8.285 -12.283
  139   HH21  ARG  15          1HH2      ARG  15  -8.922  -9.949  -9.302
  140   HH22  ARG  15          2HH2      ARG  15  -9.278  -8.582 -10.304
  141    H    LYS  16           H        LYS  16  -3.267 -14.857 -11.459
  142    HA   LYS  16           HA       LYS  16  -4.873 -17.094 -10.864
  143    HB2  LYS  16           2HB      LYS  16  -3.793 -18.175 -12.710
  144    HB3  LYS  16           3HB      LYS  16  -4.002 -16.480 -13.131
  145    HG2  LYS  16           2HG      LYS  16  -1.860 -16.694 -13.790
  146    HG3  LYS  16           3HG      LYS  16  -1.543 -16.362 -12.086
  147    HD2  LYS  16           2HD      LYS  16  -1.111 -18.603 -11.605
  148    HD3  LYS  16           3HD      LYS  16  -1.934 -19.171 -13.060
  149    HE2  LYS  16           2HE      LYS  16  -0.116 -18.869 -14.361
  150    HE3  LYS  16           3HE      LYS  16   0.372 -17.400 -13.518
  151    HZ1  LYS  16           3HZ      LYS  16   0.877 -20.206 -12.718
  152    HZ2  LYS  16           1HZ      LYS  16   1.079 -18.907 -11.652
  153    HZ3  LYS  16           2HZ      LYS  16   2.012 -18.999 -13.060
  154    H    LEU  17           H        LEU  17  -1.911 -16.081  -9.573
  155    HA   LEU  17           HA       LEU  17  -1.399 -18.777  -8.500
  156    HB2  LEU  17           2HB      LEU  17   0.405 -18.010  -9.938
  157    HB3  LEU  17           3HB      LEU  17   0.549 -16.529  -8.993
  158    HG   LEU  17           HG       LEU  17   0.870 -18.757  -7.242
  159   HD11  LEU  17          1HD1      LEU  17   1.623 -20.242  -8.808
  160   HD12  LEU  17          2HD1      LEU  17   3.130 -19.415  -8.414
  161   HD13  LEU  17          3HD1      LEU  17   2.241 -18.980  -9.873
  162   HD21  LEU  17          3HD2      LEU  17   1.757 -16.320  -7.235
  163   HD22  LEU  17          1HD2      LEU  17   3.084 -16.984  -8.189
  164   HD23  LEU  17          2HD2      LEU  17   2.763 -17.609  -6.571
  165    H    THR  18           H        THR  18  -1.220 -15.307  -7.773
  166    HA   THR  18           HA       THR  18  -0.587 -15.429  -5.083
  167    HB   THR  18           HB       THR  18  -2.514 -13.357  -5.391
  168    HG1  THR  18           HG1      THR  18  -0.640 -13.193  -7.488
  169   HG21  THR  18          3HG2      THR  18   0.253 -12.570  -5.807
  170   HG22  THR  18          1HG2      THR  18   0.073 -13.692  -4.458
  171   HG23  THR  18          2HG2      THR  18  -0.842 -12.184  -4.479
  172    H    HIS  19           H        HIS  19  -3.894 -14.646  -6.120
  173    HA   HIS  19           HA       HIS  19  -5.143 -15.310  -3.745
  174    HB2  HIS  19           2HB      HIS  19  -5.947 -14.494  -6.322
  175    HB3  HIS  19           3HB      HIS  19  -6.883 -15.939  -5.950
  176    HD1  HIS  19           HD1      HIS  19  -7.784 -15.711  -3.209
  177    HD2  HIS  19           HD2      HIS  19  -7.340 -12.320  -5.567
  178    HE1  HIS  19           HE1      HIS  19  -9.229 -13.954  -2.138
  179    H    ARG  20           H        ARG  20  -4.337 -17.367  -6.487
  180    HA   ARG  20           HA       ARG  20  -5.782 -19.647  -5.659
  181    HB2  ARG  20           2HB      ARG  20  -4.444 -18.999  -7.907
  182    HB3  ARG  20           3HB      ARG  20  -3.254 -20.050  -7.150
  183    HG2  ARG  20           2HG      ARG  20  -4.647 -21.314  -8.661
  184    HG3  ARG  20           3HG      ARG  20  -4.938 -21.827  -6.998
  185    HD2  ARG  20           2HD      ARG  20  -7.106 -21.502  -7.381
  186    HD3  ARG  20           3HD      ARG  20  -6.759 -19.774  -7.421
  187    HE   ARG  20           HE       ARG  20  -6.215 -20.654  -9.952
  188   HH11  ARG  20          1HH1      ARG  20  -8.977 -20.747  -7.836
  189   HH12  ARG  20          2HH1      ARG  20 -10.132 -20.712  -9.127
  190   HH21  ARG  20          1HH2      ARG  20  -7.725 -20.608 -11.661
  191   HH22  ARG  20          2HH2      ARG  20  -9.418 -20.633 -11.303
  192    H    LEU  21           H        LEU  21  -2.889 -18.225  -4.518
  193    HA   LEU  21           HA       LEU  21  -2.038 -20.698  -3.197
  194    HB2  LEU  21           2HB      LEU  21  -0.720 -18.062  -3.723
  195    HB3  LEU  21           3HB      LEU  21  -0.095 -19.147  -2.484
  196    HG   LEU  21           HG       LEU  21  -0.389 -19.857  -5.402
  197   HD11  LEU  21          1HD1      LEU  21   2.010 -19.610  -5.550
  198   HD12  LEU  21          2HD1      LEU  21   2.095 -19.136  -3.854
  199   HD13  LEU  21          3HD1      LEU  21   1.286 -18.091  -5.021
  200   HD21  LEU  21          3HD2      LEU  21   1.490 -21.430  -3.931
  201   HD22  LEU  21          1HD2      LEU  21   0.043 -21.946  -4.797
  202   HD23  LEU  21          2HD2      LEU  21  -0.070 -21.459  -3.106
  203    H    PHE  22           H        PHE  22  -2.537 -17.264  -2.366
  204    HA   PHE  22           HA       PHE  22  -2.394 -17.481   0.383
  205    HB2  PHE  22           2HB      PHE  22  -3.598 -15.578  -1.520
  206    HB3  PHE  22           3HB      PHE  22  -4.298 -15.552   0.095
  207    HD1  PHE  22           HD2      PHE  22  -1.030 -15.415  -1.673
  208    HD2  PHE  22           HD1      PHE  22  -3.277 -14.339   1.778
  209    HE1  PHE  22           HE2      PHE  22   0.846 -14.032  -0.887
  210    HE2  PHE  22           HE1      PHE  22  -1.404 -12.953   2.569
  211    HZ   PHE  22           HZ       PHE  22   0.661 -12.799   1.237
  212    H    ARG  23           H        ARG  23  -5.064 -18.226  -1.766
  213    HA   ARG  23           HA       ARG  23  -7.061 -18.488   0.225
  214    HB2  ARG  23           2HB      ARG  23  -8.414 -19.467  -1.465
  215    HB3  ARG  23           3HB      ARG  23  -7.435 -18.242  -2.262
  216    HG2  ARG  23           2HG      ARG  23  -5.916 -19.977  -3.069
  217    HG3  ARG  23           3HG      ARG  23  -6.900 -21.205  -2.270
  218    HD2  ARG  23           2HD      ARG  23  -8.835 -20.156  -3.670
  219    HD3  ARG  23           3HD      ARG  23  -7.521 -19.537  -4.670
  220    HE   ARG  23           HE       ARG  23  -7.136 -21.668  -5.438
  221   HH11  ARG  23          1HH1      ARG  23  -9.268 -21.784  -2.688
  222   HH12  ARG  23          2HH1      ARG  23  -9.651 -23.462  -2.891
  223   HH21  ARG  23          1HH2      ARG  23  -7.633 -23.877  -5.716
  224   HH22  ARG  23          2HH2      ARG  23  -8.720 -24.651  -4.613
  225    H    ARG  24           H        ARG  24  -4.635 -20.661  -1.058
  226    HA   ARG  24           HA       ARG  24  -3.982 -22.764  -0.484
  227    HB2  ARG  24           2HB      ARG  24  -4.977 -21.558   2.035
  228    HB3  ARG  24           3HB      ARG  24  -4.762 -23.304   2.036
  229    HG2  ARG  24           2HG      ARG  24  -2.615 -22.985   2.458
  230    HG3  ARG  24           3HG      ARG  24  -2.449 -22.252   0.862
  231    HD2  ARG  24           2HD      ARG  24  -1.606 -20.790   2.647
  232    HD3  ARG  24           3HD      ARG  24  -2.962 -20.069   1.780
  233    HE   ARG  24           HE       ARG  24  -4.103 -21.321   3.922
  234   HH11  ARG  24          1HH1      ARG  24  -1.619 -18.918   3.504
  235   HH12  ARG  24          2HH1      ARG  24  -1.943 -18.132   5.014
  236   HH21  ARG  24          1HH2      ARG  24  -4.539 -20.296   5.912
  237   HH22  ARG  24          2HH2      ARG  24  -3.604 -18.918   6.383