*HEADER    ANTIMICROBIAL PROTEIN                   18-APR-16   2NCV              
*TITLE     NMR STRUCTURE OF RWS21 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 192-212;           
*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   19-APR-17 2NCV    0                                                
# Torsion angle constraints 
# generated from HA secondary chemical shifts			
   
   2 TRP  PHI  -120   -30
   2 TRP  PSI  -120   120
   3 SER  PHI  -120   -30
   3 SER  PSI  -120   120
   4 ILE  PHI  -120   -30
   4 ILE  PSI  -120   120
   5 THR  PHI  -120   -30
   5 THR  PSI  -120   120
   6 THR  PHI  -120   -30
   6 THR  PSI  -120   120
   7 ILE  PHI  -120   -30
   7 ILE  PSI  -120   120
   8 HIS  PHI  -120   -30
   8 HIS  PSI  -120   120
   9 ASN  PHI  -120   -30
   9 ASN  PSI  -120   120
  10 LEU  PHI  -120   -30
  10 LEU  PSI  -120   120
  11 PHE  PHI  -120   -30
  11 PHE  PSI  -120   120
  12 ARG  PHI  -120   -30
  12 ARG  PSI  -120   120
  13 LYS  PHI  -120   -30
  13 LYS  PSI  -120   120
  14 LEU  PHI  -120   -30
  14 LEU  PSI  -120   120
  15 THR  PHI  -120   -30
  15 THR  PSI  -120   120
  16 HIS  PHI  -120   -30
  16 HIS  PSI  -120   120
  17 ARG  PHI  -120   -30
  17 ARG  PSI  -120   120
  18 LEU  PHI  -120   -30
  18 LEU  PSI  -120   120
  19 PHE  PHI  -120   -30
  19 PHE  PSI  -120   120
  20 ARG  PHI  -120   -30
  20 ARG  PSI  -120   120
  21 ARG  PHI  -120   -30
  21 ARG  PSI  -120   120
ARG
TRP
SER
ILE
THR
THR
ILE
HIS
ASN
LEU
PHE
ARG
LYS
LEU
THR
HIS
ARG
LEU
PHE
ARG
ARG
1 ARG HA	2 TRP H		3.3	2.0
1 ARG QB	2 TRP H		4.0	2.0
2 TRP QB	2 TRP H		3.5	2.0
2 TRP HA	2 TRP HD1	4.0	2.0
2 TRP QB	2 TRP HD1	4.0	2.0
2 TRP HA	2 TRP HE3	4.5	2.0
2 TRP QB	2 TRP HE3	4.5	2.0
2 TRP HA	3 SER H		3.5	2.0
2 TRP QB   	3 SER H		3.8	2.0
3 SER QB	3 SER H		3.8	2.0
3 SER HA	4 ILE H		3.5	2.0
3 SER QB	4 ILE H		3.8	2.0
4 ILE HB	4 ILE H		3.6	2.0
4 ILE HG12	4 ILE H		4.5	2.0
4 ILE HG21	4 ILE H		4.0	2.0
4 ILE HA	5 THR H		3.5	2.0
4 ILE HB	5 THR H		3.8	2.0
4 ILE HG12	5 THR H		4.5	2.0
4 ILE HG21 	5 THR H		4.5	2.0
5 THR HB	5 THR H		3.5	2.0
5 THR HG21	5 THR H		3.8	2.0
5 THR HA	6 THR H		3.5	2.0
11 PHE QB	19 PHE QE	4.8	2.0
5 THR HB	6 THR H		3.8	2.0
5 THR HG21	6 THR H		4.0	2.0
6 THR HB	6 THR H		3.5	2.0
6 THR HG21	6 THR H		3.8	2.0
6 THR HA	7 ILE H		3.5	2.0
6 THR HB	7 ILE H		4.2	2.0
6 THR HG21	7 ILE H		4.2	2.0
7 ILE HB	7 ILE H		3.5	2.0
7 ILE HG12 	7 ILE H		4.6	2.0
7 ILE HG21	7 ILE H		4.0	2.0
7 ILE HA 	8 HIS H		3.5	2.0
7 ILE HB	8 HIS H		3.8	2.0
7 ILE HG12	8 HIS H		5.0	2.0
7 ILE HG21	8 HIS H		4.8	2.0
8 HIS HB2	8 HIS H		3.5	2.0
8 HIS HB3	8 HIS H		3.5	2.0
8 HIS HA	9 ASN H		3.5	2.0
8 HIS HB2	9 ASN H		3.8	2.0
8 HIS HB3	9 ASN H		3.8	2.0
9 ASN QB	9 ASN H		3.5	2.0
9 ASN HA	10 LEU H	3.5	2.0
9 ASN QB	10 LEU H	3.8	2.0
10 LEU QB	10 LEU H	3.5	2.0
10 LEU HG 	10 LEU H	4.3	2.0
10 LEU QQD	10 LEU H	3.8	2.0
10 LEU HA	11 PHE H	3.5	2.0
10 LEU QB	11 PHE H	3.8	2.0
10 LEU HG	11 PHE H	4.5	2.0
10 LEU QQD 	11 PHE H	4.5	2.0
10 LEU QQD	11 PHE QD	4.5	2.0
10 LEU QQD	11 PHE QE	4.8	2.0
10 LEU HG	11 PHE QD	4.8	2.0
11 PHE QB	11 PHE H	3.5	2.0
11 PHE HA	11 PHE QD	4.0	2.0
11 PHE QB	11 PHE QD	3.9	2.0
11 PHE QB	11 PHE QE	4.2	2.0
11 PHE HA	12 ARG H	3.5	2.0
11 PHE QB	12 ARG H	3.8	2.0
12 ARG QB	12 ARG H	3.5	2.0
12 ARG QG	12 ARG H	3.8	2.0
12 ARG QD	12 ARG H	4.1	2.0
12 ARG HA	13 LYS H	3.5	2.0
12 ARG QB	13 LYS H	3.8	2.0
12 ARG QG	13 LYS H	4.0	2.0
12 ARG QD	13 LYS H	4.2	2.0
13 LYS QB	13 LYS H	3.5	2.0
13 LYS QG	13 LYS H	4.2	2.0
13 LYS QD	13 LYS H	4.5	2.0
13 LYS HA	14 LEU H	3.5	2.0
13 LYS QB	14 LEU H	3.9	2.0
13 LYS QG	14 LEU H	4.2	2.0
13 LYS QD	14 LEU H	4.5	2.0
14 LEU QB	14 LEU H	3.5	2.0
14 LEU HG 	14 LEU H	4.5	2.0
14 LEU QQD	14 LEU H	3.8	2.0
14 LEU HA	15 THR H	3.5	2.0
14 LEU QB	15 THR H	3.8	2.0
14 LEU HG	15 THR H	4.5	2.0
14 LEU QQD 	15 THR H	4.5	2.0
15 THR HB	15 THR H	3.5	2.0
15 THR HG21	15 THR H	3.8	2.0
15 THR HA	16 HIS H	3.5	2.0
15 THR HB	16 HIS H	4.5	2.0
15 THR HG21	16 HIS H	4.2	2.0
16 HIS HB2	16 HIS H	3.8	2.0
16 HIS HB3	16 HIS H	3.5	2.0
16 HIS HA	17 ARG H	3.5	2.0
16 HIS HB2	17 ARG H	4.2	2.0
16 HIS HB3	17 ARG H	4.5	2.0
17 ARG QB	17 ARG H	3.5	2.0
17 ARG QG	17 ARG H	4.0	2.0
17 ARG QD	17 ARG H	4.0	2.0
17 ARG HA	18 LEU H	3.5	2.0
17 ARG QB	18 LEU H	4.5	2.0
17 ARG QG	18 LEU H	4.5	2.0
17 ARG QD	18 LEU H	4.8	2.0  
18 LEU QB	18 LEU H	3.5	2.0
18 LEU HG 	18 LEU H	4.0	2.0
18 LEU QQD	18 LEU H	3.8	2.0
18 LEU HA	19 PHE H	3.5	2.0
18 LEU QB	19 PHE H	3.8	2.0
18 LEU HG	19 PHE H	4.5	2.0
18 LEU QQD 	19 PHE H	4.5	2.0
19 PHE QB	19 PHE H	3.5	2.0
19 PHE HA	19 PHE QD	4.0	2.0
19 PHE QB	19 PHE QD	3.9	2.0
19 PHE QB	19 PHE QE	4.2	2.0
19 PHE HA	20 ARG H	3.5	2.0
19 PHE QB	20 ARG H	3.8	2.0
20 ARG QB	20 ARG H	3.5	2.0
20 ARG QG	20 ARG H	4.0	2.0
20 ARG QD	20 ARG H	4.0	2.0
20 ARG HA	21 ARG H	3.5	2.0
20 ARG QB	21 ARG H	4.5	2.0
20 ARG QG	21 ARG H	4.5	2.0
20 ARG QD	21 ARG H	4.8	2.0 
21 ARG QB	21 ARG H	3.5	2.0
21 ARG QG	21 ARG H	4.0	2.0
21 ARG QD	21 ARG H	4.0	2.0
3 SER H		4 ILE H		4.0	2.0
4 ILE H		5 THR H		3.8	2.0
5 THR H		6 THR H		3.2	2.0
6 THR H		7 ILE H		3.8	2.0
7 ILE H		8 HIS H		2.8	2.0
8 HIS H		9 ASN H		2.8	2.0
9 ASN H		10 LEU H	3.0	2.0
10 LEU H	11 PHE H	3.8	2.0
11 PHE H	12 ARG H	2.8	2.0
12 ARG H	13 LYS H	2.8	2.0
13 LYS H	14 LEU H	3.0	2.0
14 LEU H	15 THR H	3.2	2.0
15 THR H	16 HIS H	2.8	2.0
16 HIS H	17 ARG H	3.0	2.0
17 ARG H	18 LEU H	3.8	2.0
18 LEU H	19 PHE H	3.8	2.0
19 PHE H	20 ARG H	3.0	2.0
20 ARG H	21 ARG H	2.8	2.0
6 THR H		8 HIS H		4.2	2.0
7 ILE H		9 ASN H		4.4	2.0
13 LYS H	11 PHE H	4.2	2.0
16 HIS H	18 LEU H	4.2	2.0
17 ARG H	19 PHE H	4.2	2.0
20 ARG H	18 LEU H	4.4	2.0
13 LYS H	15 THR H	4.2	2.0
6 THR HA	8 HIS H		4.4	2.0
7 ILE HA 	9 ASN H		4.4	2.0
9 ASN HA	13 LYS H	4.6	2.0
14 LEU HA	16 HIS H	4.4	2.0
16 HIS HA	20 ARG H	4.2	2.0
11 PHE HB2	13 LYS H	4.8	2.0
11 PHE HB2	14 LEU H	5.1	2.0
9 ASN QB	11 PHE H	4.2	2.0
10 LEU QQD	13 LYS H	4.8	2.0
18 LEU QB	2 TRP HZ3	4.8	2.0
18 LEU HG	2 TRP HZ3	4.8	2.0
18 LEU QQD	2 TRP HZ3	4.5	2.0
18 LEU QQD	2 TRP HZ2	4.2	2.0
2 TRP HZ3	19 PHE QE	4.0	2.0
2 TRP HE3	19 PHE QD	4.5	2.0
2 TRP HZ2	11 PHE QE	3.5	2.0
2 TRP HZ2	11 PHE QD	4.0	2.0
4 ILE HD1	2 TRP HD1	3.0	2.0
4 ILE HG23	2 TRP HD1	3.0	2.0
7 ILE HD1	11 PHE QE	3.5	2.0
7 ILE HB	11 PHE QD	4.5	2.0
4 ILE HD1	2 TRP HE3	4.7	2.0
19 PHE HB3	8 HIS HD2	4.8	2.0
6 THR HB	8 HIS H		5.0	2.0
6 THR HA	9 ASN H		4.0	2.0
8 HIS HA	10 LEU H	4.8	2.0
11 PHE HA	13 LYS H	4.8	2.0
9 ASN HA	11 PHE H	4.4	2.0
7 ILE HA	10 LEU H	4.0	2.0
10 LEU HA	14 LEU H	4.2	2.0
18 LEU HA	20 ARG H	4.4	2.0
13 LYS HA	15 THR H	4.6	2.0
11 PHE HB2	15 THR H	4.8	2.0
19 PHE HB3	21 ARG H	4.8	2.1
15 THR HB	18 LEU H	4.9	2.0
15 THR HG21	18 LEU H	4.8	2.0
6 THR HG21	9 ASN H		4.5	2.0
13 LYS HB3 	16 HIS H	5.1	2.0
14 LEU QQD	17 ARG H	4.9	2.0
14 LEU QB	16 HIS H	4.8	2.0
7 ILE HG12	10 LEU H	5.0	2.0
7 ILE HG22	10 LEU H	4.8	2.0
7 ILE HG12	11 PHE H	5.2	2.0
6 THR HA	9 ASN QB	4.9	2.0
9 ASN HA	12 ARG HB3	4.9	2.0
11 PHE HA	14 LEU QB	5.0	2.0
17 ARG HA	20 ARG QB	4.9	2.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           H        ARG   1   1.807   0.001   0.855
    2    HA   ARG   1           HA       ARG   1   1.440  -0.337  -2.033
    3    HB2  ARG   1          2HB       ARG   1   2.691   1.964  -0.643
    4    HB3  ARG   1          3HB       ARG   1   3.541   1.347  -2.054
    5    HG2  ARG   1          2HG       ARG   1   0.631   2.100  -2.091
    6    HG3  ARG   1          3HG       ARG   1   1.932   3.228  -2.477
    7    HD2  ARG   1          2HD       ARG   1   2.700   1.620  -4.228
    8    HD3  ARG   1          3HD       ARG   1   1.255   0.662  -3.906
    9    HE   ARG   1           HE       ARG   1   1.412   3.113  -5.391
   10   HH11  ARG   1          1HH1      ARG   1  -0.655   1.057  -3.488
   11   HH12  ARG   1          2HH1      ARG   1  -2.118   1.644  -4.206
   12   HH21  ARG   1          1HH2      ARG   1  -0.508   3.894  -6.344
   13   HH22  ARG   1          2HH2      ARG   1  -2.034   3.257  -5.831
   14    H    TRP   2           H        TRP   2   2.487  -2.134  -2.548
   15    HA   TRP   2           HA       TRP   2   4.984  -2.772  -1.125
   16    HB2  TRP   2          2HB       TRP   2   2.732  -4.331  -1.448
   17    HB3  TRP   2          3HB       TRP   2   3.797  -4.922  -2.720
   18    HD1  TRP   2           HD1      TRP   2   6.570  -4.933  -1.362
   19    HE1  TRP   2           HE1      TRP   2   7.079  -6.477   0.633
   20    HE3  TRP   2           HE3      TRP   2   1.792  -5.778   0.250
   21    HZ2  TRP   2           HZ2      TRP   2   5.645  -7.870   2.626
   22    HZ3  TRP   2           HZ3      TRP   2   1.447  -7.228   2.207
   23    HH2  TRP   2           HH2      TRP   2   3.335  -8.253   3.369
   24    H    SER   3           H        SER   3   6.584  -1.905  -2.327
   25    HA   SER   3           HA       SER   3   6.524  -2.149  -5.229
   26    HB2  SER   3          2HB       SER   3   8.796  -0.931  -3.690
   27    HB3  SER   3          3HB       SER   3   8.193  -0.519  -5.295
   28    HG   SER   3           HG       SER   3   7.325   1.051  -4.134
   29    H    ILE   4           H        ILE   4   6.821  -4.381  -5.483
   30    HA   ILE   4           HA       ILE   4   9.520  -5.343  -4.788
   31    HB   ILE   4           HB       ILE   4   8.514  -7.657  -4.900
   32   HG12  ILE   4          2HG1      ILE   4   6.371  -6.553  -6.014
   33   HG13  ILE   4          3HG1      ILE   4   6.248  -8.008  -5.031
   34   HG21  ILE   4          1HG2      ILE   4   9.093  -6.614  -2.788
   35   HG22  ILE   4          2HG2      ILE   4   7.537  -5.787  -2.747
   36   HG23  ILE   4          3HG2      ILE   4   7.604  -7.544  -2.619
   37   HD11  ILE   4          3HD1      ILE   4   4.584  -6.090  -4.640
   38   HD12  ILE   4          1HD1      ILE   4   5.323  -6.870  -3.242
   39   HD13  ILE   4          2HD1      ILE   4   5.921  -5.307  -3.799
   40    H    THR   5           H        THR   5  10.544  -4.854  -6.688
   41    HA   THR   5           HA       THR   5   9.468  -5.239  -9.265
   42    HB   THR   5           HB       THR   5  11.834  -5.081 -10.054
   43    HG1  THR   5           HG1      THR   5  12.473  -4.710  -7.306
   44   HG21  THR   5          3HG2      THR   5  11.787  -2.834  -9.848
   45   HG22  THR   5          1HG2      THR   5  11.674  -2.895  -8.089
   46   HG23  THR   5          2HG2      THR   5  10.229  -3.124  -9.075
   47    H    THR   6           H        THR   6  12.368  -6.959  -8.194
   48    HA   THR   6           HA       THR   6  11.388  -9.348  -9.577
   49    HB   THR   6           HB       THR   6  14.088  -8.292  -8.920
   50    HG1  THR   6           HG1      THR   6  12.842  -9.616 -11.106
   51   HG21  THR   6          3HG2      THR   6  13.458 -11.237  -9.124
   52   HG22  THR   6          1HG2      THR   6  14.204 -10.399  -7.764
   53   HG23  THR   6          2HG2      THR   6  15.075 -10.554  -9.290
   54    H    ILE   7           H        ILE   7  12.402  -8.196  -6.428
   55    HA   ILE   7           HA       ILE   7  12.748 -10.575  -5.058
   56    HB   ILE   7           HB       ILE   7  12.935  -8.077  -4.265
   57   HG12  ILE   7          2HG1      ILE   7  11.977 -10.078  -2.229
   58   HG13  ILE   7          3HG1      ILE   7  13.513 -10.284  -3.063
   59   HG21  ILE   7          1HG2      ILE   7  10.464  -7.731  -4.490
   60   HG22  ILE   7          2HG2      ILE   7  10.253  -8.809  -3.111
   61   HG23  ILE   7          3HG2      ILE   7  11.133  -7.293  -2.918
   62   HD11  ILE   7          3HD1      ILE   7  12.727  -7.940  -1.347
   63   HD12  ILE   7          1HD1      ILE   7  13.830  -9.242  -0.902
   64   HD13  ILE   7          2HD1      ILE   7  14.262  -8.124  -2.196
   65    H    HIS   8           H        HIS   8   9.871  -9.239  -6.371
   66    HA   HIS   8           HA       HIS   8   7.860 -10.197  -4.763
   67    HB2  HIS   8          2HB       HIS   8   7.726  -8.871  -6.979
   68    HB3  HIS   8          3HB       HIS   8   7.692 -10.451  -7.756
   69    HD1  HIS   8           HD1      HIS   8   5.269  -8.844  -8.225
   70    HD2  HIS   8           HD2      HIS   8   5.683 -11.205  -4.832
   71    HE1  HIS   8           HE1      HIS   8   2.927  -9.276  -7.417
   72    H    ASN   9           H        ASN   9  10.058 -11.987  -6.750
   73    HA   ASN   9           HA       ASN   9   8.538 -14.391  -6.904
   74    HB2  ASN   9          2HB       ASN   9  11.331 -13.574  -7.522
   75    HB3  ASN   9          3HB       ASN   9  11.034 -15.292  -7.270
   76   HD21  ASN   9          1HD2      ASN   9   9.847 -16.433  -8.751
   77   HD22  ASN   9          2HD2      ASN   9   9.385 -15.789 -10.286
   78    H    LEU  10           H        LEU  10  11.023 -13.177  -4.710
   79    HA   LEU  10           HA       LEU  10  11.161 -15.610  -3.192
   80    HB2  LEU  10          2HB       LEU  10  13.099 -14.208  -3.292
   81    HB3  LEU  10          3HB       LEU  10  12.191 -12.826  -2.682
   82    HG   LEU  10           HG       LEU  10  12.047 -13.812  -0.497
   83   HD11  LEU  10          1HD1      LEU  10  11.785 -16.147  -1.201
   84   HD12  LEU  10          2HD1      LEU  10  13.028 -15.965   0.036
   85   HD13  LEU  10          3HD1      LEU  10  13.490 -16.195  -1.650
   86   HD21  LEU  10          3HD2      LEU  10  14.238 -12.720  -1.445
   87   HD22  LEU  10          1HD2      LEU  10  14.889 -14.343  -1.217
   88   HD23  LEU  10          2HD2      LEU  10  14.217 -13.462   0.156
   89    H    PHE  11           H        PHE  11   8.842 -13.279  -3.428
   90    HA   PHE  11           HA       PHE  11   7.998 -13.605  -0.626
   91    HB2  PHE  11          2HB       PHE  11   7.635 -11.392  -2.607
   92    HB3  PHE  11          3HB       PHE  11   6.428 -11.618  -1.345
   93    HD1  PHE  11           HD2      PHE  11   7.007 -11.296   1.003
   94    HD2  PHE  11           HD1      PHE  11   9.831 -10.583  -2.101
   95    HE1  PHE  11           HE2      PHE  11   8.422 -10.046   2.581
   96    HE2  PHE  11           HE1      PHE  11  11.250  -9.333  -0.528
   97    HZ   PHE  11           HZ       PHE  11  10.546  -9.062   1.817
   98    H    ARG  12           H        ARG  12   6.894 -13.674  -3.983
   99    HA   ARG  12           HA       ARG  12   4.224 -14.212  -3.681
  100    HB2  ARG  12          2HB       ARG  12   4.261 -15.198  -5.846
  101    HB3  ARG  12          3HB       ARG  12   5.500 -13.950  -5.842
  102    HG2  ARG  12          2HG       ARG  12   6.687 -15.604  -6.824
  103    HG3  ARG  12          3HG       ARG  12   7.021 -16.012  -5.140
  104    HD2  ARG  12          2HD       ARG  12   5.822 -17.913  -5.234
  105    HD3  ARG  12          3HD       ARG  12   4.556 -17.181  -6.219
  106    HE   ARG  12           HE       ARG  12   6.950 -17.587  -7.707
  107   HH11  ARG  12          1HH1      ARG  12   4.137 -19.206  -6.446
  108   HH12  ARG  12          2HH1      ARG  12   4.149 -20.447  -7.654
  109   HH21  ARG  12          1HH2      ARG  12   6.976 -19.217  -9.304
  110   HH22  ARG  12          2HH2      ARG  12   5.765 -20.453  -9.279
  111    H    LYS  13           H        LYS  13   6.909 -16.252  -2.911
  112    HA   LYS  13           HA       LYS  13   5.092 -18.512  -2.410
  113    HB2  LYS  13          2HB       LYS  13   7.243 -18.684  -3.894
  114    HB3  LYS  13          3HB       LYS  13   8.078 -18.753  -2.348
  115    HG2  LYS  13          2HG       LYS  13   6.119 -20.598  -1.977
  116    HG3  LYS  13          3HG       LYS  13   6.444 -20.770  -3.703
  117    HD2  LYS  13          2HD       LYS  13   8.961 -20.588  -2.544
  118    HD3  LYS  13          3HD       LYS  13   8.037 -21.592  -1.424
  119    HE2  LYS  13          2HE       LYS  13   7.297 -22.900  -3.491
  120    HE3  LYS  13          3HE       LYS  13   8.592 -22.058  -4.340
  121    HZ1  LYS  13          3HZ       LYS  13   9.996 -23.560  -3.559
  122    HZ2  LYS  13          1HZ       LYS  13   8.768 -24.315  -2.673
  123    HZ3  LYS  13          2HZ       LYS  13   9.664 -23.061  -1.977
  124    H    LEU  14           H        LEU  14   7.613 -16.505  -0.975
  125    HA   LEU  14           HA       LEU  14   7.712 -17.822   1.523
  126    HB2  LEU  14          2HB       LEU  14   9.510 -16.395   0.876
  127    HB3  LEU  14          3HB       LEU  14   8.424 -15.020   0.688
  128    HG   LEU  14           HG       LEU  14   9.975 -15.142   2.754
  129   HD11  LEU  14          1HD1      LEU  14   7.127 -14.664   3.490
  130   HD12  LEU  14          2HD1      LEU  14   7.875 -13.672   2.239
  131   HD13  LEU  14          3HD1      LEU  14   8.564 -13.711   3.862
  132   HD21  LEU  14          3HD2      LEU  14   7.770 -16.594   4.087
  133   HD22  LEU  14          1HD2      LEU  14   9.493 -16.551   4.460
  134   HD23  LEU  14          2HD2      LEU  14   8.902 -17.560   3.139
  135    H    THR  15           H        THR  15   6.010 -14.875   0.481
  136    HA   THR  15           HA       THR  15   4.381 -15.020   2.923
  137    HB   THR  15           HB       THR  15   5.513 -12.872   2.555
  138    HG1  THR  15           HG1      THR  15   2.841 -12.255   2.008
  139   HG21  THR  15          3HG2      THR  15   4.654 -11.431   0.664
  140   HG22  THR  15          1HG2      THR  15   3.973 -12.899  -0.035
  141   HG23  THR  15          2HG2      THR  15   5.717 -12.756   0.190
  142    H    HIS  16           H        HIS  16   4.065 -16.625   0.402
  143    HA   HIS  16           HA       HIS  16   1.964 -15.820  -1.185
  144    HB2  HIS  16          2HB       HIS  16   1.646 -18.098  -1.758
  145    HB3  HIS  16          3HB       HIS  16   3.358 -17.943  -1.373
  146    HD1  HIS  16           HD1      HIS  16   0.634 -20.120  -0.790
  147    HD2  HIS  16           HD2      HIS  16   3.746 -18.688   1.561
  148    HE1  HIS  16           HE1      HIS  16   0.824 -21.734   1.129
  149    H    ARG  17           H        ARG  17   1.908 -16.893   2.121
  150    HA   ARG  17           HA       ARG  17  -0.811 -17.567   2.341
  151    HB2  ARG  17          2HB       ARG  17  -0.495 -17.131   4.774
  152    HB3  ARG  17          3HB       ARG  17   0.727 -18.189   4.082
  153    HG2  ARG  17          2HG       ARG  17   2.258 -16.873   4.990
  154    HG3  ARG  17          3HG       ARG  17   1.783 -15.628   3.833
  155    HD2  ARG  17          2HD       ARG  17   1.722 -14.731   6.078
  156    HD3  ARG  17          3HD       ARG  17   0.087 -14.828   5.427
  157    HE   ARG  17           HE       ARG  17   0.344 -17.153   6.779
  158   HH11  ARG  17          1HH1      ARG  17   0.899 -13.824   7.634
  159   HH12  ARG  17          2HH1      ARG  17   0.508 -14.053   9.306
  160   HH21  ARG  17          1HH2      ARG  17  -0.173 -17.467   8.978
  161   HH22  ARG  17          2HH2      ARG  17  -0.101 -16.125  10.070
  162    H    LEU  18           H        LEU  18   0.833 -14.503   2.271
  163    HA   LEU  18           HA       LEU  18  -1.665 -13.109   2.944
  164    HB2  LEU  18          2HB       LEU  18  -0.087 -12.169   4.303
  165    HB3  LEU  18          3HB       LEU  18   1.217 -12.422   3.145
  166    HG   LEU  18           HG       LEU  18   0.393 -10.526   1.819
  167   HD11  LEU  18          1HD1      LEU  18  -1.600  -9.591   2.121
  168   HD12  LEU  18          2HD1      LEU  18  -1.325  -9.396   3.852
  169   HD13  LEU  18          3HD1      LEU  18  -1.966 -10.916   3.227
  170   HD21  LEU  18          3HD2      LEU  18   2.111 -10.098   3.448
  171   HD22  LEU  18          1HD2      LEU  18   0.912  -9.955   4.734
  172   HD23  LEU  18          2HD2      LEU  18   0.973  -8.749   3.448
  173    H    PHE  19           H        PHE  19   0.858 -13.365   0.494
  174    HA   PHE  19           HA       PHE  19  -0.604 -11.540  -1.259
  175    HB2  PHE  19          2HB       PHE  19   2.139 -12.137  -0.883
  176    HB3  PHE  19          3HB       PHE  19   1.718 -12.669  -2.508
  177    HD1  PHE  19           HD2      PHE  19   0.177 -10.893  -3.806
  178    HD2  PHE  19           HD1      PHE  19   2.903  -9.995  -0.663
  179    HE1  PHE  19           HE2      PHE  19   0.329  -8.571  -4.606
  180    HE2  PHE  19           HE1      PHE  19   3.059  -7.671  -1.458
  181    HZ   PHE  19           HZ       PHE  19   1.772  -6.957  -3.432
  182    H    ARG  20           H        ARG  20  -1.599 -14.228  -0.564
  183    HA   ARG  20           HA       ARG  20  -1.227 -16.130  -2.534
  184    HB2  ARG  20          2HB       ARG  20  -2.529 -16.499  -0.471
  185    HB3  ARG  20          3HB       ARG  20  -3.809 -15.473  -1.106
  186    HG2  ARG  20          2HG       ARG  20  -4.445 -17.751  -1.409
  187    HG3  ARG  20          3HG       ARG  20  -4.070 -17.068  -2.993
  188    HD2  ARG  20          2HD       ARG  20  -2.544 -18.642  -3.338
  189    HD3  ARG  20          3HD       ARG  20  -1.688 -18.163  -1.873
  190    HE   ARG  20           HE       ARG  20  -2.551 -19.999  -0.828
  191   HH11  ARG  20          1HH1      ARG  20  -4.456 -19.326  -3.663
  192   HH12  ARG  20          2HH1      ARG  20  -5.414 -20.762  -3.520
  193   HH21  ARG  20          1HH2      ARG  20  -3.805 -21.894  -0.629
  194   HH22  ARG  20          2HH2      ARG  20  -5.043 -22.222  -1.794
  195    H    ARG  21           H        ARG  21  -3.049 -13.162  -2.640
  196    HA   ARG  21           HA       ARG  21  -4.716 -13.650  -4.816
  197    HB2  ARG  21          2HB       ARG  21  -4.932 -11.286  -5.028
  198    HB3  ARG  21          3HB       ARG  21  -4.743 -11.631  -3.314
  199    HG2  ARG  21          2HG       ARG  21  -2.173 -11.217  -3.997
  200    HG3  ARG  21          3HG       ARG  21  -2.984 -10.163  -5.156
  201    HD2  ARG  21          2HD       ARG  21  -3.607 -10.124  -2.215
  202    HD3  ARG  21          3HD       ARG  21  -2.337  -9.131  -2.927
  203    HE   ARG  21           HE       ARG  21  -5.158  -8.683  -3.073
  204   HH11  ARG  21          1HH1      ARG  21  -2.130  -8.196  -4.721
  205   HH12  ARG  21          2HH1      ARG  21  -2.679  -6.802  -5.592
  206   HH21  ARG  21          1HH2      ARG  21  -5.892  -6.850  -4.214
  207   HH22  ARG  21          2HH2      ARG  21  -4.819  -6.037  -5.302
  Start of MODEL    2
    1    H1   ARG   1           H        ARG   1   1.747   0.359   0.524
    2    HA   ARG   1           HA       ARG   1   1.251  -0.775  -2.149
    3    HB2  ARG   1          2HB       ARG   1   2.064   1.864  -1.511
    4    HB3  ARG   1          3HB       ARG   1   3.458   1.050  -2.209
    5    HG2  ARG   1          2HG       ARG   1   0.945   0.620  -3.654
    6    HG3  ARG   1          3HG       ARG   1   1.513   2.290  -3.630
    7    HD2  ARG   1          2HD       ARG   1   3.432   1.799  -4.794
    8    HD3  ARG   1          3HD       ARG   1   3.456   0.121  -4.253
    9    HE   ARG   1           HE       ARG   1   2.159  -0.445  -6.055
   10   HH11  ARG   1          1HH1      ARG   1   2.102   3.011  -5.638
   11   HH12  ARG   1          2HH1      ARG   1   1.273   3.308  -7.131
   12   HH21  ARG   1          1HH2      ARG   1   1.068  -0.066  -8.022
   13   HH22  ARG   1          2HH2      ARG   1   0.685   1.557  -8.486
   14    H    TRP   2           H        TRP   2   2.621  -2.326  -2.801
   15    HA   TRP   2           HA       TRP   2   4.935  -2.898  -1.072
   16    HB2  TRP   2          2HB       TRP   2   2.817  -4.548  -1.726
   17    HB3  TRP   2          3HB       TRP   2   4.080  -5.063  -2.841
   18    HD1  TRP   2           HD1      TRP   2   6.632  -5.035  -1.151
   19    HE1  TRP   2           HE1      TRP   2   6.927  -6.568   0.895
   20    HE3  TRP   2           HE3      TRP   2   1.713  -5.982  -0.130
   21    HZ2  TRP   2           HZ2      TRP   2   5.292  -7.992   2.702
   22    HZ3  TRP   2           HZ3      TRP   2   1.163  -7.440   1.775
   23    HH2  TRP   2           HH2      TRP   2   2.917  -8.424   3.160
   24    H    SER   3           H        SER   3   6.540  -1.778  -2.096
   25    HA   SER   3           HA       SER   3   6.869  -1.821  -4.943
   26    HB2  SER   3          2HB       SER   3   8.889  -0.961  -2.863
   27    HB3  SER   3          3HB       SER   3   8.847  -0.497  -4.564
   28    HG   SER   3           HG       SER   3   7.860   0.900  -2.718
   29    H    ILE   4           H        ILE   4   6.960  -4.080  -5.372
   30    HA   ILE   4           HA       ILE   4   9.554  -5.299  -4.682
   31    HB   ILE   4           HB       ILE   4   8.460  -7.510  -4.899
   32   HG12  ILE   4          2HG1      ILE   4   6.176  -5.792  -5.622
   33   HG13  ILE   4          3HG1      ILE   4   6.530  -7.452  -6.088
   34   HG21  ILE   4          1HG2      ILE   4   8.749  -6.286  -2.716
   35   HG22  ILE   4          2HG2      ILE   4   7.052  -5.823  -2.845
   36   HG23  ILE   4          3HG2      ILE   4   7.495  -7.526  -2.733
   37   HD11  ILE   4          3HD1      ILE   4   5.790  -8.151  -3.805
   38   HD12  ILE   4          1HD1      ILE   4   5.245  -6.494  -3.549
   39   HD13  ILE   4          2HD1      ILE   4   4.526  -7.471  -4.829
   40    H    THR   5           H        THR   5  10.661  -4.727  -6.512
   41    HA   THR   5           HA       THR   5   9.522  -5.141  -9.136
   42    HB   THR   5           HB       THR   5  11.016  -3.238  -8.774
   43    HG1  THR   5           HG1      THR   5  11.372  -3.618 -10.825
   44   HG21  THR   5          3HG2      THR   5  12.459  -4.679  -7.123
   45   HG22  THR   5          1HG2      THR   5  13.204  -3.385  -8.060
   46   HG23  THR   5          2HG2      THR   5  13.374  -5.061  -8.580
   47    H    THR   6           H        THR   6  12.096  -6.585  -7.168
   48    HA   THR   6           HA       THR   6  12.062  -8.906  -8.986
   49    HB   THR   6           HB       THR   6  14.357  -7.450  -7.770
   50    HG1  THR   6           HG1      THR   6  15.107  -7.639  -9.797
   51   HG21  THR   6          3HG2      THR   6  14.345 -10.430  -8.260
   52   HG22  THR   6          1HG2      THR   6  14.555  -9.626  -6.706
   53   HG23  THR   6          2HG2      THR   6  15.784  -9.457  -7.959
   54    H    ILE   7           H        ILE   7  12.418  -7.774  -5.665
   55    HA   ILE   7           HA       ILE   7  12.783 -10.197  -4.363
   56    HB   ILE   7           HB       ILE   7  12.572  -7.664  -3.500
   57   HG12  ILE   7          2HG1      ILE   7  11.932  -9.943  -1.635
   58   HG13  ILE   7          3HG1      ILE   7  13.513  -9.783  -2.392
   59   HG21  ILE   7          1HG2      ILE   7  10.083  -7.766  -3.818
   60   HG22  ILE   7          2HG2      ILE   7  10.034  -8.930  -2.495
   61   HG23  ILE   7          3HG2      ILE   7  10.614  -7.291  -2.205
   62   HD11  ILE   7          3HD1      ILE   7  12.202  -8.007  -0.376
   63   HD12  ILE   7          1HD1      ILE   7  13.782  -8.788  -0.317
   64   HD13  ILE   7          2HD1      ILE   7  13.515  -7.418  -1.396
   65    H    HIS   8           H        HIS   8  10.022  -9.011  -6.007
   66    HA   HIS   8           HA       HIS   8   7.896 -10.186  -4.704
   67    HB2  HIS   8          2HB       HIS   8   7.986  -8.746  -6.878
   68    HB3  HIS   8          3HB       HIS   8   8.071 -10.302  -7.698
   69    HD1  HIS   8           HD1      HIS   8   5.672  -8.830  -8.433
   70    HD2  HIS   8           HD2      HIS   8   5.791 -11.094  -4.951
   71    HE1  HIS   8           HE1      HIS   8   3.271  -9.315  -7.863
   72    H    ASN   9           H        ASN   9  10.471 -11.699  -6.433
   73    HA   ASN   9           HA       ASN   9   9.144 -14.191  -6.902
   74    HB2  ASN   9          2HB       ASN   9  11.951 -13.188  -7.138
   75    HB3  ASN   9          3HB       ASN   9  11.674 -14.927  -7.127
   76   HD21  ASN   9          1HD2      ASN   9  10.182 -15.782  -8.727
   77   HD22  ASN   9          2HD2      ASN   9  10.071 -15.007 -10.267
   78    H    LEU  10           H        LEU  10  11.315 -12.928  -4.420
   79    HA   LEU  10           HA       LEU  10  11.411 -15.443  -3.006
   80    HB2  LEU  10          2HB       LEU  10  13.348 -14.010  -2.960
   81    HB3  LEU  10          3HB       LEU  10  12.394 -12.683  -2.299
   82    HG   LEU  10           HG       LEU  10  12.191 -13.781  -0.190
   83   HD11  LEU  10          1HD1      LEU  10  13.575 -16.142  -1.455
   84   HD12  LEU  10          2HD1      LEU  10  11.872 -16.059  -1.003
   85   HD13  LEU  10          3HD1      LEU  10  13.119 -15.993   0.243
   86   HD21  LEU  10          3HD2      LEU  10  15.042 -14.278  -0.979
   87   HD22  LEU  10          1HD2      LEU  10  14.403 -13.685   0.553
   88   HD23  LEU  10          2HD2      LEU  10  14.385 -12.644  -0.870
   89    H    PHE  11           H        PHE  11   9.065 -13.200  -3.348
   90    HA   PHE  11           HA       PHE  11   8.058 -13.588  -0.607
   91    HB2  PHE  11          2HB       PHE  11   7.881 -11.287  -2.498
   92    HB3  PHE  11          3HB       PHE  11   6.531 -11.569  -1.403
   93    HD1  PHE  11           HD2      PHE  11  10.191 -11.003  -1.508
   94    HD2  PHE  11           HD1      PHE  11   6.633 -10.880   0.825
   95    HE1  PHE  11           HE2      PHE  11  11.411  -9.841   0.285
   96    HE2  PHE  11           HE1      PHE  11   7.847  -9.717   2.621
   97    HZ   PHE  11           HZ       PHE  11  10.239  -9.197   2.353
   98    H    ARG  12           H        ARG  12   7.152 -13.471  -4.026
   99    HA   ARG  12           HA       ARG  12   4.476 -14.034  -3.914
  100    HB2  ARG  12          2HB       ARG  12   4.721 -15.109  -6.105
  101    HB3  ARG  12          3HB       ARG  12   5.667 -13.630  -6.009
  102    HG2  ARG  12          2HG       ARG  12   7.280 -14.902  -6.903
  103    HG3  ARG  12          3HG       ARG  12   7.513 -15.440  -5.238
  104    HD2  ARG  12          2HD       ARG  12   7.303 -17.479  -6.206
  105    HD3  ARG  12          3HD       ARG  12   5.590 -17.143  -5.960
  106    HE   ARG  12           HE       ARG  12   6.603 -16.229  -8.491
  107   HH11  ARG  12          1HH1      ARG  12   5.249 -18.919  -6.745
  108   HH12  ARG  12          2HH1      ARG  12   4.637 -19.701  -8.165
  109   HH21  ARG  12          1HH2      ARG  12   5.801 -17.248 -10.368
  110   HH22  ARG  12          2HH2      ARG  12   4.952 -18.750 -10.225
  111    H    LYS  13           H        LYS  13   7.124 -16.123  -3.119
  112    HA   LYS  13           HA       LYS  13   5.283 -18.400  -2.834
  113    HB2  LYS  13          2HB       LYS  13   7.554 -18.457  -4.182
  114    HB3  LYS  13          3HB       LYS  13   8.247 -18.692  -2.582
  115    HG2  LYS  13          2HG       LYS  13   6.391 -20.553  -2.422
  116    HG3  LYS  13          3HG       LYS  13   6.506 -20.490  -4.182
  117    HD2  LYS  13          2HD       LYS  13   8.517 -21.488  -4.199
  118    HD3  LYS  13          3HD       LYS  13   9.098 -20.547  -2.823
  119    HE2  LYS  13          2HE       LYS  13   7.044 -22.475  -2.091
  120    HE3  LYS  13          3HE       LYS  13   8.462 -23.232  -2.814
  121    HZ1  LYS  13          3HZ       LYS  13   9.328 -21.294  -0.989
  122    HZ2  LYS  13          1HZ       LYS  13   9.529 -22.972  -0.910
  123    HZ3  LYS  13          2HZ       LYS  13   8.167 -22.250  -0.215
  124    H    LEU  14           H        LEU  14   7.708 -16.469  -1.153
  125    HA   LEU  14           HA       LEU  14   7.674 -17.919   1.273
  126    HB2  LEU  14          2HB       LEU  14   9.497 -16.452   0.800
  127    HB3  LEU  14          3HB       LEU  14   8.414 -15.072   0.635
  128    HG   LEU  14           HG       LEU  14   9.856 -15.313   2.771
  129   HD11  LEU  14          1HD1      LEU  14   7.787 -13.813   2.233
  130   HD12  LEU  14          2HD1      LEU  14   8.378 -13.955   3.888
  131   HD13  LEU  14          3HD1      LEU  14   6.968 -14.880   3.374
  132   HD21  LEU  14          3HD2      LEU  14   9.283 -16.816   4.368
  133   HD22  LEU  14          1HD2      LEU  14   8.780 -17.749   2.959
  134   HD23  LEU  14          2HD2      LEU  14   7.585 -16.846   3.891
  135    H    THR  15           H        THR  15   6.023 -14.919   0.300
  136    HA   THR  15           HA       THR  15   4.263 -15.195   2.637
  137    HB   THR  15           HB       THR  15   5.403 -13.025   2.418
  138    HG1  THR  15           HG1      THR  15   3.476 -11.764   2.585
  139   HG21  THR  15          3HG2      THR  15   4.599 -11.501   0.565
  140   HG22  THR  15          1HG2      THR  15   3.968 -12.942  -0.230
  141   HG23  THR  15          2HG2      THR  15   5.699 -12.788   0.074
  142    H    HIS  16           H        HIS  16   4.092 -16.682   0.031
  143    HA   HIS  16           HA       HIS  16   2.072 -15.815  -1.627
  144    HB2  HIS  16          2HB       HIS  16   1.785 -18.077  -2.304
  145    HB3  HIS  16          3HB       HIS  16   3.482 -17.911  -1.861
  146    HD1  HIS  16           HD1      HIS  16   0.921 -20.253  -1.550
  147    HD2  HIS  16           HD2      HIS  16   3.655 -18.672   1.150
  148    HE1  HIS  16           HE1      HIS  16   1.046 -21.917   0.332
  149    H    ARG  17           H        ARG  17   1.848 -17.055   1.616
  150    HA   ARG  17           HA       ARG  17  -0.876 -17.743   1.656
  151    HB2  ARG  17          2HB       ARG  17  -0.709 -17.657   4.057
  152    HB3  ARG  17          3HB       ARG  17   0.780 -18.341   3.418
  153    HG2  ARG  17          2HG       ARG  17   1.638 -15.884   3.555
  154    HG3  ARG  17          3HG       ARG  17   0.310 -15.695   4.703
  155    HD2  ARG  17          2HD       ARG  17   1.345 -16.908   6.286
  156    HD3  ARG  17          3HD       ARG  17   1.946 -18.089   5.123
  157    HE   ARG  17           HE       ARG  17   3.417 -15.788   4.718
  158   HH11  ARG  17          1HH1      ARG  17   2.852 -18.033   7.318
  159   HH12  ARG  17          2HH1      ARG  17   4.413 -17.799   8.033
  160   HH21  ARG  17          1HH2      ARG  17   5.475 -15.471   5.650
  161   HH22  ARG  17          2HH2      ARG  17   5.904 -16.341   7.084
  162    H    LEU  18           H        LEU  18   0.757 -14.675   1.844
  163    HA   LEU  18           HA       LEU  18  -1.769 -13.319   2.473
  164    HB2  LEU  18          2HB       LEU  18  -0.229 -12.439   3.917
  165    HB3  LEU  18          3HB       LEU  18   1.104 -12.626   2.779
  166    HG   LEU  18           HG       LEU  18   0.341 -10.670   1.541
  167   HD11  LEU  18          1HD1      LEU  18  -1.508  -9.552   3.385
  168   HD12  LEU  18          2HD1      LEU  18  -2.085 -11.152   2.920
  169   HD13  LEU  18          3HD1      LEU  18  -1.746  -9.944   1.681
  170   HD21  LEU  18          3HD2      LEU  18   0.845  -8.976   3.220
  171   HD22  LEU  18          1HD2      LEU  18   1.913 -10.369   3.390
  172   HD23  LEU  18          2HD2      LEU  18   0.564 -10.152   4.506
  173    H    PHE  19           H        PHE  19   0.816 -13.481   0.085
  174    HA   PHE  19           HA       PHE  19  -0.592 -11.579  -1.631
  175    HB2  PHE  19          2HB       PHE  19   2.132 -12.171  -1.197
  176    HB3  PHE  19          3HB       PHE  19   1.772 -12.690  -2.840
  177    HD1  PHE  19           HD1      PHE  19   0.202 -10.891  -4.127
  178    HD2  PHE  19           HD2      PHE  19   2.939 -10.046  -0.979
  179    HE1  PHE  19           HE1      PHE  19   0.366  -8.560  -4.899
  180    HE2  PHE  19           HE2      PHE  19   3.107  -7.714  -1.746
  181    HZ   PHE  19           HZ       PHE  19   1.819  -6.969  -3.708
  182    H    ARG  20           H        ARG  20  -1.620 -14.283  -1.074
  183    HA   ARG  20           HA       ARG  20  -1.197 -16.096  -3.128
  184    HB2  ARG  20          2HB       ARG  20  -3.397 -17.011  -2.583
  185    HB3  ARG  20          3HB       ARG  20  -2.507 -16.610  -1.120
  186    HG2  ARG  20          2HG       ARG  20  -3.801 -14.386  -1.202
  187    HG3  ARG  20          3HG       ARG  20  -4.873 -15.232  -2.321
  188    HD2  ARG  20          2HD       ARG  20  -4.518 -17.009  -0.216
  189    HD3  ARG  20          3HD       ARG  20  -4.667 -15.434   0.560
  190    HE   ARG  20           HE       ARG  20  -6.691 -15.660  -1.352
  191   HH11  ARG  20          1HH1      ARG  20  -5.738 -17.093   1.674
  192   HH12  ARG  20          2HH1      ARG  20  -7.358 -17.487   2.147
  193   HH21  ARG  20          1HH2      ARG  20  -8.828 -16.174  -0.741
  194   HH22  ARG  20          2HH2      ARG  20  -9.114 -16.965   0.772
  195    H    ARG  21           H        ARG  21  -2.963 -13.108  -3.131
  196    HA   ARG  21           HA       ARG  21  -4.671 -13.464  -5.291
  197    HB2  ARG  21          2HB       ARG  21  -3.516 -11.207  -3.848
  198    HB3  ARG  21          3HB       ARG  21  -3.798 -10.847  -5.546
  199    HG2  ARG  21          2HG       ARG  21  -5.937 -10.508  -5.112
  200    HG3  ARG  21          3HG       ARG  21  -6.092 -12.180  -4.568
  201    HD2  ARG  21          2HD       ARG  21  -5.195 -11.390  -2.336
  202    HD3  ARG  21          3HD       ARG  21  -5.423  -9.746  -2.931
  203    HE   ARG  21           HE       ARG  21  -7.670  -9.976  -2.578
  204   HH11  ARG  21          1HH1      ARG  21  -6.200 -13.132  -2.598
  205   HH12  ARG  21          2HH1      ARG  21  -7.644 -13.951  -2.102
  206   HH21  ARG  21          1HH2      ARG  21  -9.577 -11.043  -1.925
  207   HH22  ARG  21          2HH2      ARG  21  -9.565 -12.762  -1.721
  Start of MODEL    3
    1    H1   ARG   1           H        ARG   1  -0.196  -0.953  -1.892
    2    HA   ARG   1           HA       ARG   1   1.565  -0.098  -3.937
    3    HB2  ARG   1          2HB       ARG   1   1.264   0.576  -1.025
    4    HB3  ARG   1          3HB       ARG   1   2.600   1.228  -1.965
    5    HG2  ARG   1          2HG       ARG   1   0.123   1.597  -3.371
    6    HG3  ARG   1          3HG       ARG   1   0.012   2.252  -1.737
    7    HD2  ARG   1          2HD       ARG   1   2.025   3.564  -2.105
    8    HD3  ARG   1          3HD       ARG   1   2.202   2.869  -3.716
    9    HE   ARG   1           HE       ARG   1  -0.327   4.124  -3.414
   10   HH11  ARG   1          1HH1      ARG   1   3.054   4.791  -3.910
   11   HH12  ARG   1          2HH1      ARG   1   2.772   6.293  -4.726
   12   HH21  ARG   1          1HH2      ARG   1  -0.711   6.101  -4.486
   13   HH22  ARG   1          2HH2      ARG   1   0.630   7.038  -5.052
   14    H    TRP   2           H        TRP   2   2.107  -2.730  -3.744
   15    HA   TRP   2           HA       TRP   2   4.592  -2.961  -2.200
   16    HB2  TRP   2          2HB       TRP   2   2.489  -4.726  -2.508
   17    HB3  TRP   2          3HB       TRP   2   3.698  -5.355  -3.623
   18    HD1  TRP   2           HD1      TRP   2   6.343  -5.027  -2.094
   19    HE1  TRP   2           HE1      TRP   2   6.800  -6.289   0.103
   20    HE3  TRP   2           HE3      TRP   2   1.522  -6.005  -0.701
   21    HZ2  TRP   2           HZ2      TRP   2   5.313  -7.535   2.153
   22    HZ3  TRP   2           HZ3      TRP   2   1.126  -7.238   1.391
   23    HH2  TRP   2           HH2      TRP   2   2.984  -7.986   2.787
   24    H    SER   3           H        SER   3   6.193  -2.076  -3.392
   25    HA   SER   3           HA       SER   3   6.362  -2.633  -6.247
   26    HB2  SER   3          2HB       SER   3   8.616  -1.179  -5.593
   27    HB3  SER   3          3HB       SER   3   7.091  -0.501  -6.165
   28    HG   SER   3           HG       SER   3   8.237  -0.022  -3.883
   29    H    ILE   4           H        ILE   4   6.859  -4.847  -6.219
   30    HA   ILE   4           HA       ILE   4   9.563  -5.486  -5.234
   31    HB   ILE   4           HB       ILE   4   8.757  -7.885  -5.210
   32   HG12  ILE   4          2HG1      ILE   4   6.635  -7.077  -6.579
   33   HG13  ILE   4          3HG1      ILE   4   6.536  -8.432  -5.459
   34   HG21  ILE   4          1HG2      ILE   4   9.082  -6.610  -3.169
   35   HG22  ILE   4          2HG2      ILE   4   7.464  -5.927  -3.317
   36   HG23  ILE   4          3HG2      ILE   4   7.668  -7.653  -3.021
   37   HD11  ILE   4          3HD1      ILE   4   5.375  -7.209  -3.884
   38   HD12  ILE   4          1HD1      ILE   4   5.926  -5.662  -4.528
   39   HD13  ILE   4          2HD1      ILE   4   4.720  -6.605  -5.405
   40    H    THR   5           H        THR   5  10.674  -5.028  -7.108
   41    HA   THR   5           HA       THR   5   9.940  -5.627  -9.712
   42    HB   THR   5           HB       THR   5  11.799  -4.308  -9.732
   43    HG1  THR   5           HG1      THR   5  12.408  -5.988 -11.079
   44   HG21  THR   5          3HG2      THR   5  12.492  -5.785  -7.268
   45   HG22  THR   5          1HG2      THR   5  12.590  -4.060  -7.621
   46   HG23  THR   5          2HG2      THR   5  13.848  -5.152  -8.201
   47    H    THR   6           H        THR   6  12.544  -7.434  -8.111
   48    HA   THR   6           HA       THR   6  11.544  -9.869  -9.431
   49    HB   THR   6           HB       THR   6  14.285  -8.861  -8.875
   50    HG1  THR   6           HG1      THR   6  14.487  -9.323 -10.958
   51   HG21  THR   6          3HG2      THR   6  13.534 -11.782  -8.815
   52   HG22  THR   6          1HG2      THR   6  14.354 -10.862  -7.555
   53   HG23  THR   6          2HG2      THR   6  15.175 -11.193  -9.081
   54    H    ILE   7           H        ILE   7  12.572  -8.475  -6.395
   55    HA   ILE   7           HA       ILE   7  12.902 -10.701  -4.805
   56    HB   ILE   7           HB       ILE   7  13.056  -8.164  -4.219
   57   HG12  ILE   7          2HG1      ILE   7  11.962  -9.969  -2.068
   58   HG13  ILE   7          3HG1      ILE   7  13.552 -10.229  -2.776
   59   HG21  ILE   7          1HG2      ILE   7  10.637  -7.764  -4.609
   60   HG22  ILE   7          2HG2      ILE   7  10.284  -8.767  -3.204
   61   HG23  ILE   7          3HG2      ILE   7  11.186  -7.265  -3.010
   62   HD11  ILE   7          3HD1      ILE   7  13.345  -8.885  -0.589
   63   HD12  ILE   7          1HD1      ILE   7  14.415  -8.294  -1.859
   64   HD13  ILE   7          2HD1      ILE   7  12.823  -7.567  -1.638
   65    H    HIS   8           H        HIS   8  10.020  -9.525  -6.270
   66    HA   HIS   8           HA       HIS   8   7.982 -10.351  -4.657
   67    HB2  HIS   8          2HB       HIS   8   7.779  -9.289  -6.934
   68    HB3  HIS   8          3HB       HIS   8   8.048 -10.885  -7.630
   69    HD1  HIS   8           HD1      HIS   8   5.543 -10.116  -8.595
   70    HD2  HIS   8           HD2      HIS   8   5.836 -11.380  -4.647
   71    HE1  HIS   8           HE1      HIS   8   3.206 -10.752  -7.917
   72    H    ASN   9           H        ASN   9  10.216 -12.346  -6.441
   73    HA   ASN   9           HA       ASN   9   8.776 -14.775  -6.305
   74    HB2  ASN   9          2HB       ASN   9  11.652 -14.056  -6.758
   75    HB3  ASN   9          3HB       ASN   9  11.200 -15.741  -6.520
   76   HD21  ASN   9          1HD2      ASN   9  11.503 -13.242  -8.727
   77   HD22  ASN   9          2HD2      ASN   9  10.674 -13.970 -10.057
   78    H    LEU  10           H        LEU  10  11.295 -13.380  -4.229
   79    HA   LEU  10           HA       LEU  10  11.402 -15.546  -2.413
   80    HB2  LEU  10          2HB       LEU  10  13.248 -14.095  -2.440
   81    HB3  LEU  10          3HB       LEU  10  12.232 -12.667  -2.256
   82    HG   LEU  10           HG       LEU  10  11.758 -13.321   0.065
   83   HD11  LEU  10          1HD1      LEU  10  13.808 -15.489  -0.338
   84   HD12  LEU  10          2HD1      LEU  10  12.067 -15.767  -0.308
   85   HD13  LEU  10          3HD1      LEU  10  12.883 -15.140   1.123
   86   HD21  LEU  10          3HD2      LEU  10  14.375 -12.601  -0.994
   87   HD22  LEU  10          1HD2      LEU  10  14.451 -13.330   0.610
   88   HD23  LEU  10          2HD2      LEU  10  13.457 -11.898   0.339
   89    H    PHE  11           H        PHE  11   9.063 -13.163  -2.929
   90    HA   PHE  11           HA       PHE  11   8.029 -13.343  -0.194
   91    HB2  PHE  11          2HB       PHE  11   7.508 -11.484  -2.494
   92    HB3  PHE  11          3HB       PHE  11   6.348 -11.615  -1.176
   93    HD1  PHE  11           HD1      PHE  11   6.997 -10.966   1.112
   94    HD2  PHE  11           HD2      PHE  11   9.570 -10.340  -2.221
   95    HE1  PHE  11           HE1      PHE  11   8.321  -9.371   2.438
   96    HE2  PHE  11           HE2      PHE  11  10.898  -8.745  -0.900
   97    HZ   PHE  11           HZ       PHE  11  10.275  -8.259   1.432
   98    H    ARG  12           H        ARG  12   7.124 -13.976  -3.550
   99    HA   ARG  12           HA       ARG  12   4.501 -14.712  -3.306
  100    HB2  ARG  12          2HB       ARG  12   4.707 -15.745  -5.353
  101    HB3  ARG  12          3HB       ARG  12   6.145 -14.733  -5.357
  102    HG2  ARG  12          2HG       ARG  12   7.309 -16.824  -4.358
  103    HG3  ARG  12          3HG       ARG  12   5.913 -17.688  -5.005
  104    HD2  ARG  12          2HD       ARG  12   6.865 -15.897  -6.999
  105    HD3  ARG  12          3HD       ARG  12   8.239 -16.805  -6.369
  106    HE   ARG  12           HE       ARG  12   7.398 -18.699  -7.348
  107   HH11  ARG  12          1HH1      ARG  12   4.937 -16.237  -7.299
  108   HH12  ARG  12          2HH1      ARG  12   3.840 -17.129  -8.301
  109   HH21  ARG  12          1HH2      ARG  12   5.963 -19.883  -8.668
  110   HH22  ARG  12          2HH2      ARG  12   4.425 -19.203  -9.079
  111    H    LYS  13           H        LYS  13   7.295 -16.380  -2.117
  112    HA   LYS  13           HA       LYS  13   5.639 -18.691  -1.363
  113    HB2  LYS  13          2HB       LYS  13   8.630 -18.375  -1.620
  114    HB3  LYS  13          3HB       LYS  13   7.871 -19.787  -0.898
  115    HG2  LYS  13          2HG       LYS  13   7.010 -20.520  -2.907
  116    HG3  LYS  13          3HG       LYS  13   7.075 -18.915  -3.639
  117    HD2  LYS  13          2HD       LYS  13   8.941 -19.643  -4.643
  118    HD3  LYS  13          3HD       LYS  13   9.711 -19.415  -3.071
  119    HE2  LYS  13          2HE       LYS  13   8.500 -21.964  -4.135
  120    HE3  LYS  13          3HE       LYS  13  10.217 -21.622  -3.930
  121    HZ1  LYS  13          3HZ       LYS  13   9.823 -22.745  -2.016
  122    HZ2  LYS  13          1HZ       LYS  13   8.199 -22.280  -1.923
  123    HZ3  LYS  13          2HZ       LYS  13   9.416 -21.197  -1.469
  124    H    LEU  14           H        LEU  14   7.860 -16.254  -0.116
  125    HA   LEU  14           HA       LEU  14   7.931 -17.169   2.552
  126    HB2  LEU  14          2HB       LEU  14   9.597 -15.645   1.817
  127    HB3  LEU  14          3HB       LEU  14   8.387 -14.464   1.320
  128    HG   LEU  14           HG       LEU  14   9.753 -14.050   3.476
  129   HD11  LEU  14          1HD1      LEU  14   7.538 -12.975   2.574
  130   HD12  LEU  14          2HD1      LEU  14   8.105 -12.639   4.209
  131   HD13  LEU  14          3HD1      LEU  14   6.821 -13.819   3.947
  132   HD21  LEU  14          3HD2      LEU  14   7.624 -15.516   4.905
  133   HD22  LEU  14          1HD2      LEU  14   9.304 -15.224   5.354
  134   HD23  LEU  14          2HD2      LEU  14   8.910 -16.493   4.194
  135    H    THR  15           H        THR  15   5.979 -14.624   1.005
  136    HA   THR  15           HA       THR  15   4.187 -14.681   3.339
  137    HB   THR  15           HB       THR  15   5.224 -12.477   2.751
  138    HG1  THR  15           HG1      THR  15   3.435 -11.562   3.462
  139   HG21  THR  15          3HG2      THR  15   3.462 -11.749   0.638
  140   HG22  THR  15          1HG2      THR  15   4.341 -13.197   0.149
  141   HG23  THR  15          2HG2      THR  15   5.225 -11.753   0.645
  142    H    HIS  16           H        HIS  16   4.182 -16.589   1.086
  143    HA   HIS  16           HA       HIS  16   2.208 -16.134  -0.795
  144    HB2  HIS  16          2HB       HIS  16   3.779 -18.168  -0.484
  145    HB3  HIS  16          3HB       HIS  16   2.502 -18.811   0.544
  146    HD1  HIS  16           HD1      HIS  16   1.608 -16.873  -2.521
  147    HD2  HIS  16           HD2      HIS  16   1.912 -20.834  -1.304
  148    HE1  HIS  16           HE1      HIS  16   0.495 -18.220  -4.330
  149    H    ARG  17           H        ARG  17   1.902 -16.679   2.604
  150    HA   ARG  17           HA       ARG  17  -0.787 -17.563   2.654
  151    HB2  ARG  17          2HB       ARG  17   0.598 -15.997   4.830
  152    HB3  ARG  17          3HB       ARG  17  -0.724 -17.145   5.003
  153    HG2  ARG  17          2HG       ARG  17   0.845 -18.627   5.538
  154    HG3  ARG  17          3HG       ARG  17   1.237 -18.655   3.817
  155    HD2  ARG  17          2HD       ARG  17   2.598 -16.447   4.706
  156    HD3  ARG  17          3HD       ARG  17   2.733 -17.553   6.073
  157    HE   ARG  17           HE       ARG  17   4.085 -17.755   3.586
  158   HH11  ARG  17          1HH1      ARG  17   2.608 -19.666   6.093
  159   HH12  ARG  17          2HH1      ARG  17   3.598 -21.057   5.796
  160   HH21  ARG  17          1HH2      ARG  17   5.394 -19.580   3.186
  161   HH22  ARG  17          2HH2      ARG  17   5.183 -21.006   4.143
  162    H    LEU  18           H        LEU  18   0.688 -14.443   2.320
  163    HA   LEU  18           HA       LEU  18  -1.921 -13.130   2.648
  164    HB2  LEU  18          2HB       LEU  18  -0.501 -11.944   3.991
  165    HB3  LEU  18          3HB       LEU  18   0.898 -12.249   2.963
  166    HG   LEU  18           HG       LEU  18   0.071 -10.576   1.364
  167   HD11  LEU  18          1HD1      LEU  18  -2.359 -10.945   2.641
  168   HD12  LEU  18          2HD1      LEU  18  -1.982  -9.726   1.423
  169   HD13  LEU  18          3HD1      LEU  18  -1.848  -9.331   3.136
  170   HD21  LEU  18          3HD2      LEU  18   0.935 -10.057   4.084
  171   HD22  LEU  18          1HD2      LEU  18   0.032  -8.705   3.401
  172   HD23  LEU  18          2HD2      LEU  18   1.460  -9.320   2.569
  173    H    PHE  19           H        PHE  19   0.783 -13.548   0.430
  174    HA   PHE  19           HA       PHE  19  -0.616 -12.021  -1.632
  175    HB2  PHE  19          2HB       PHE  19   2.150 -12.617  -1.044
  176    HB3  PHE  19          3HB       PHE  19   1.762 -13.061  -2.703
  177    HD1  PHE  19           HD1      PHE  19   0.474 -10.266  -0.615
  178    HD2  PHE  19           HD2      PHE  19   2.733 -11.434  -4.028
  179    HE1  PHE  19           HE1      PHE  19   0.672  -7.907  -1.288
  180    HE2  PHE  19           HE2      PHE  19   2.936  -9.078  -4.705
  181    HZ   PHE  19           HZ       PHE  19   1.905  -7.310  -3.334
  182    H    ARG  20           H        ARG  20  -1.455 -14.713  -0.636
  183    HA   ARG  20           HA       ARG  20  -0.886 -16.781  -2.367
  184    HB2  ARG  20          2HB       ARG  20  -2.893 -17.814  -1.643
  185    HB3  ARG  20          3HB       ARG  20  -2.327 -16.849  -0.286
  186    HG2  ARG  20          2HG       ARG  20  -3.916 -15.055  -1.023
  187    HG3  ARG  20          3HG       ARG  20  -4.575 -16.216  -2.177
  188    HD2  ARG  20          2HD       ARG  20  -5.175 -17.715  -0.370
  189    HD3  ARG  20          3HD       ARG  20  -4.430 -16.634   0.806
  190    HE   ARG  20           HE       ARG  20  -6.312 -15.335   0.748
  191   HH11  ARG  20          1HH1      ARG  20  -6.308 -17.455  -2.014
  192   HH12  ARG  20          2HH1      ARG  20  -7.914 -17.031  -2.506
  193   HH21  ARG  20          1HH2      ARG  20  -8.428 -14.769   0.111
  194   HH22  ARG  20          2HH2      ARG  20  -9.118 -15.502  -1.297
  195    H    ARG  21           H        ARG  21  -2.935 -13.996  -2.868
  196    HA   ARG  21           HA       ARG  21  -4.423 -14.845  -5.062
  197    HB2  ARG  21          2HB       ARG  21  -3.348 -12.089  -4.435
  198    HB3  ARG  21          3HB       ARG  21  -4.575 -12.430  -5.648
  199    HG2  ARG  21          2HG       ARG  21  -6.115 -12.183  -4.081
  200    HG3  ARG  21          3HG       ARG  21  -5.484 -13.627  -3.286
  201    HD2  ARG  21          2HD       ARG  21  -5.369 -12.045  -1.602
  202    HD3  ARG  21          3HD       ARG  21  -3.739 -12.001  -2.273
  203    HE   ARG  21           HE       ARG  21  -4.130  -9.863  -3.012
  204   HH11  ARG  21          1HH1      ARG  21  -7.138 -11.331  -2.055
  205   HH12  ARG  21          2HH1      ARG  21  -8.043  -9.859  -2.168
  206   HH21  ARG  21          1HH2      ARG  21  -5.311  -7.918  -3.165
  207   HH22  ARG  21          2HH2      ARG  21  -7.004  -7.918  -2.801
  Start of MODEL    4
    1    H1   ARG   1           H        ARG   1   0.193  -0.466  -1.216
    2    HA   ARG   1           HA       ARG   1   1.747  -0.429  -2.905
    3    HB2  ARG   1          2HB       ARG   1   2.830   1.501  -0.859
    4    HB3  ARG   1          3HB       ARG   1   3.548   1.323  -2.454
    5    HG2  ARG   1          2HG       ARG   1   1.490   2.013  -3.505
    6    HG3  ARG   1          3HG       ARG   1   0.680   2.078  -1.939
    7    HD2  ARG   1          2HD       ARG   1   1.451   4.128  -1.540
    8    HD3  ARG   1          3HD       ARG   1   3.102   3.648  -1.928
    9    HE   ARG   1           HE       ARG   1   2.840   4.558  -4.013
   10   HH11  ARG   1          1HH1      ARG   1  -0.285   4.189  -2.524
   11   HH12  ARG   1          2HH1      ARG   1  -1.123   5.063  -3.762
   12   HH21  ARG   1          1HH2      ARG   1   1.748   5.712  -5.649
   13   HH22  ARG   1          2HH2      ARG   1   0.034   5.929  -5.540
   14    H    TRP   2           H        TRP   2   2.811  -2.278  -3.272
   15    HA   TRP   2           HA       TRP   2   5.151  -2.876  -1.583
   16    HB2  TRP   2          2HB       TRP   2   2.957  -4.489  -2.039
   17    HB3  TRP   2          3HB       TRP   2   4.139  -5.098  -3.194
   18    HD1  TRP   2           HD1      TRP   2   6.783  -5.038  -1.626
   19    HE1  TRP   2           HE1      TRP   2   7.145  -6.491   0.467
   20    HE3  TRP   2           HE3      TRP   2   1.900  -5.851  -0.346
   21    HZ2  TRP   2           HZ2      TRP   2   5.570  -7.809   2.404
   22    HZ3  TRP   2           HZ3      TRP   2   1.414  -7.219   1.640
   23    HH2  TRP   2           HH2      TRP   2   3.212  -8.177   2.985
   24    H    SER   3           H        SER   3   6.813  -1.993  -2.691
   25    HA   SER   3           HA       SER   3   6.985  -2.339  -5.579
   26    HB2  SER   3          2HB       SER   3   9.112  -1.009  -3.937
   27    HB3  SER   3          3HB       SER   3   8.587  -0.651  -5.581
   28    HG   SER   3           HG       SER   3   7.704   0.938  -4.389
   29    H    ILE   4           H        ILE   4   7.355  -4.574  -5.714
   30    HA   ILE   4           HA       ILE   4  10.007  -5.439  -4.761
   31    HB   ILE   4           HB       ILE   4   9.067  -7.784  -4.932
   32   HG12  ILE   4          2HG1      ILE   4   7.011  -6.750  -6.249
   33   HG13  ILE   4          3HG1      ILE   4   6.823  -8.181  -5.241
   34   HG21  ILE   4          1HG2      ILE   4   9.440  -6.694  -2.795
   35   HG22  ILE   4          2HG2      ILE   4   7.867  -5.906  -2.901
   36   HG23  ILE   4          3HG2      ILE   4   7.965  -7.660  -2.740
   37   HD11  ILE   4          3HD1      ILE   4   5.111  -6.264  -5.057
   38   HD12  ILE   4          1HD1      ILE   4   5.713  -7.022  -3.583
   39   HD13  ILE   4          2HD1      ILE   4   6.356  -5.463  -4.099
   40    H    THR   5           H        THR   5  11.165  -4.900  -6.586
   41    HA   THR   5           HA       THR   5  10.432  -5.256  -9.234
   42    HB   THR   5           HB       THR   5  12.361  -4.044  -9.136
   43    HG1  THR   5           HG1      THR   5  13.034  -5.493 -10.613
   44   HG21  THR   5          3HG2      THR   5  14.340  -5.119  -7.659
   45   HG22  THR   5          1HG2      THR   5  12.940  -5.741  -6.787
   46   HG23  THR   5          2HG2      THR   5  13.140  -4.003  -7.007
   47    H    THR   6           H        THR   6  12.911  -7.322  -7.753
   48    HA   THR   6           HA       THR   6  11.794  -9.590  -9.263
   49    HB   THR   6           HB       THR   6  14.581  -8.779  -8.621
   50    HG1  THR   6           HG1      THR   6  13.450  -8.740 -10.753
   51   HG21  THR   6          3HG2      THR   6  13.672 -11.651  -8.785
   52   HG22  THR   6          1HG2      THR   6  14.532 -10.874  -7.456
   53   HG23  THR   6          2HG2      THR   6  15.344 -11.135  -9.000
   54    H    ILE   7           H        ILE   7  12.868  -8.489  -6.125
   55    HA   ILE   7           HA       ILE   7  13.065 -10.843  -4.707
   56    HB   ILE   7           HB       ILE   7  13.338  -8.361  -3.935
   57   HG12  ILE   7          2HG1      ILE   7  12.167 -10.275  -1.924
   58   HG13  ILE   7          3HG1      ILE   7  13.742 -10.553  -2.658
   59   HG21  ILE   7          1HG2      ILE   7  10.934  -7.834  -4.285
   60   HG22  ILE   7          2HG2      ILE   7  10.546  -8.919  -2.952
   61   HG23  ILE   7          3HG2      ILE   7  11.511  -7.473  -2.659
   62   HD11  ILE   7          3HD1      ILE   7  14.735  -8.987  -1.409
   63   HD12  ILE   7          1HD1      ILE   7  13.371  -7.877  -1.528
   64   HD13  ILE   7          2HD1      ILE   7  13.334  -9.198  -0.359
   65    H    HIS   8           H        HIS   8  10.262  -9.407  -6.093
   66    HA   HIS   8           HA       HIS   8   8.169 -10.244  -4.557
   67    HB2  HIS   8          2HB       HIS   8   8.041  -9.001  -6.745
   68    HB3  HIS   8          3HB       HIS   8   8.236 -10.549  -7.563
   69    HD1  HIS   8           HD1      HIS   8   5.785  -9.597  -8.485
   70    HD2  HIS   8           HD2      HIS   8   5.970 -11.147  -4.635
   71    HE1  HIS   8           HE1      HIS   8   3.412 -10.161  -7.872
   72    H    ASN   9           H        ASN   9  10.311 -12.213  -6.478
   73    HA   ASN   9           HA       ASN   9   8.741 -14.565  -6.531
   74    HB2  ASN   9          2HB       ASN   9  11.660 -13.978  -6.916
   75    HB3  ASN   9          3HB       ASN   9  11.099 -15.646  -6.832
   76   HD21  ASN   9          1HD2      ASN   9  10.693 -12.601  -8.546
   77   HD22  ASN   9          2HD2      ASN   9  10.175 -13.301 -10.039
   78    H    LEU  10           H        LEU  10  11.329 -13.471  -4.358
   79    HA   LEU  10           HA       LEU  10  11.315 -15.770  -2.713
   80    HB2  LEU  10          2HB       LEU  10  13.233 -14.421  -2.626
   81    HB3  LEU  10          3HB       LEU  10  12.292 -12.959  -2.338
   82    HG   LEU  10           HG       LEU  10  11.772 -13.758  -0.073
   83   HD11  LEU  10          1HD1      LEU  10  11.963 -16.183  -0.629
   84   HD12  LEU  10          2HD1      LEU  10  12.797 -15.705   0.849
   85   HD13  LEU  10          3HD1      LEU  10  13.716 -15.990  -0.629
   86   HD21  LEU  10          3HD2      LEU  10  14.588 -13.387  -0.983
   87   HD22  LEU  10          1HD2      LEU  10  14.268 -13.773   0.708
   88   HD23  LEU  10          2HD2      LEU  10  13.567 -12.324  -0.014
   89    H    PHE  11           H        PHE  11   9.107 -13.232  -3.040
   90    HA   PHE  11           HA       PHE  11   8.054 -13.573  -0.328
   91    HB2  PHE  11          2HB       PHE  11   7.654 -11.509  -2.470
   92    HB3  PHE  11          3HB       PHE  11   6.468 -11.686  -1.181
   93    HD1  PHE  11           HD1      PHE  11   7.090 -11.225   1.148
   94    HD2  PHE  11           HD2      PHE  11   9.792 -10.540  -2.068
   95    HE1  PHE  11           HE1      PHE  11   8.473  -9.815   2.615
   96    HE2  PHE  11           HE2      PHE  11  11.181  -9.131  -0.606
   97    HZ   PHE  11           HZ       PHE  11  10.523  -8.767   1.739
   98    H    ARG  12           H        ARG  12   7.132 -13.891  -3.724
   99    HA   ARG  12           HA       ARG  12   4.472 -14.500  -3.541
  100    HB2  ARG  12          2HB       ARG  12   4.632 -15.376  -5.663
  101    HB3  ARG  12          3HB       ARG  12   6.127 -14.453  -5.584
  102    HG2  ARG  12          2HG       ARG  12   7.164 -16.678  -4.753
  103    HG3  ARG  12          3HG       ARG  12   5.723 -17.408  -5.463
  104    HD2  ARG  12          2HD       ARG  12   6.755 -15.542  -7.329
  105    HD3  ARG  12          3HD       ARG  12   8.102 -16.523  -6.755
  106    HE   ARG  12           HE       ARG  12   7.208 -18.337  -7.839
  107   HH11  ARG  12          1HH1      ARG  12   4.838 -15.791  -7.686
  108   HH12  ARG  12          2HH1      ARG  12   3.728 -16.583  -8.755
  109   HH21  ARG  12          1HH2      ARG  12   5.754 -19.390  -9.247
  110   HH22  ARG  12          2HH2      ARG  12   4.249 -18.630  -9.641
  111    H    LYS  13           H        LYS  13   7.165 -16.403  -2.480
  112    HA   LYS  13           HA       LYS  13   5.380 -18.672  -1.909
  113    HB2  LYS  13          2HB       LYS  13   8.386 -18.504  -2.143
  114    HB3  LYS  13          3HB       LYS  13   7.546 -19.924  -1.533
  115    HG2  LYS  13          2HG       LYS  13   6.654 -20.449  -3.593
  116    HG3  LYS  13          3HG       LYS  13   6.810 -18.797  -4.197
  117    HD2  LYS  13          2HD       LYS  13   8.637 -19.543  -5.256
  118    HD3  LYS  13          3HD       LYS  13   9.413 -19.488  -3.671
  119    HE2  LYS  13          2HE       LYS  13   8.914 -21.809  -3.290
  120    HE3  LYS  13          3HE       LYS  13   7.955 -21.890  -4.767
  121    HZ1  LYS  13          3HZ       LYS  13  10.271 -22.808  -4.911
  122    HZ2  LYS  13          1HZ       LYS  13  10.842 -21.222  -4.767
  123    HZ3  LYS  13          2HZ       LYS  13   9.876 -21.657  -6.086
  124    H    LEU  14           H        LEU  14   7.729 -16.466  -0.479
  125    HA   LEU  14           HA       LEU  14   7.743 -17.588   2.109
  126    HB2  LEU  14          2HB       LEU  14   9.489 -16.101   1.489
  127    HB3  LEU  14          3HB       LEU  14   8.344 -14.821   1.094
  128    HG   LEU  14           HG       LEU  14   9.730 -14.657   3.270
  129   HD11  LEU  14          1HD1      LEU  14   8.159 -13.224   4.123
  130   HD12  LEU  14          2HD1      LEU  14   6.815 -14.308   3.769
  131   HD13  LEU  14          3HD1      LEU  14   7.576 -13.395   2.467
  132   HD21  LEU  14          3HD2      LEU  14   8.760 -17.100   3.794
  133   HD22  LEU  14          1HD2      LEU  14   7.525 -16.119   4.584
  134   HD23  LEU  14          2HD2      LEU  14   9.217 -15.951   5.053
  135    H    THR  15           H        THR  15   5.934 -14.829   0.770
  136    HA   THR  15           HA       THR  15   4.143 -14.961   3.101
  137    HB   THR  15           HB       THR  15   5.286 -12.775   2.644
  138    HG1  THR  15           HG1      THR  15   3.445 -11.637   3.138
  139   HG21  THR  15          3HG2      THR  15   3.542 -11.828   0.604
  140   HG22  THR  15          1HG2      THR  15   4.347 -13.281   0.012
  141   HG23  THR  15          2HG2      THR  15   5.303 -11.916   0.590
  142    H    HIS  16           H        HIS  16   4.029 -16.724   0.743
  143    HA   HIS  16           HA       HIS  16   2.084 -16.059  -1.103
  144    HB2  HIS  16          2HB       HIS  16   3.498 -18.153  -1.056
  145    HB3  HIS  16          3HB       HIS  16   2.376 -18.798   0.138
  146    HD1  HIS  16           HD1      HIS  16   2.952 -18.681  -3.408
  147    HD2  HIS  16           HD2      HIS  16  -0.395 -18.890  -0.955
  148    HE1  HIS  16           HE1      HIS  16   1.088 -19.504  -4.882
  149    H    ARG  17           H        ARG  17   1.744 -16.789   2.261
  150    HA   ARG  17           HA       ARG  17  -0.989 -17.517   2.271
  151    HB2  ARG  17          2HB       ARG  17  -0.903 -17.242   4.636
  152    HB3  ARG  17          3HB       ARG  17   0.659 -17.879   4.142
  153    HG2  ARG  17          2HG       ARG  17   1.334 -15.352   4.087
  154    HG3  ARG  17          3HG       ARG  17  -0.049 -15.178   5.169
  155    HD2  ARG  17          2HD       ARG  17   0.901 -16.656   6.762
  156    HD3  ARG  17          3HD       ARG  17   2.148 -17.180   5.631
  157    HE   ARG  17           HE       ARG  17   2.257 -14.373   6.179
  158   HH11  ARG  17          1HH1      ARG  17   3.180 -17.522   7.340
  159   HH12  ARG  17          2HH1      ARG  17   4.534 -16.935   8.248
  160   HH21  ARG  17          1HH2      ARG  17   4.036 -13.587   7.371
  161   HH22  ARG  17          2HH2      ARG  17   5.019 -14.696   8.266
  162    H    LEU  18           H        LEU  18   0.654 -14.467   2.107
  163    HA   LEU  18           HA       LEU  18  -1.882 -13.035   2.502
  164    HB2  LEU  18          2HB       LEU  18  -0.405 -12.002   3.908
  165    HB3  LEU  18          3HB       LEU  18   0.980 -12.324   2.866
  166    HG   LEU  18           HG       LEU  18   0.257 -10.524   1.363
  167   HD11  LEU  18          1HD1      LEU  18  -2.201 -10.834   2.622
  168   HD12  LEU  18          2HD1      LEU  18  -1.760  -9.600   1.442
  169   HD13  LEU  18          3HD1      LEU  18  -1.611  -9.263   3.167
  170   HD21  LEU  18          3HD2      LEU  18   0.509  -9.711   4.257
  171   HD22  LEU  18          1HD2      LEU  18   0.752  -8.649   2.870
  172   HD23  LEU  18          2HD2      LEU  18   1.836 -10.015   3.135
  173    H    PHE  19           H        PHE  19   0.818 -13.453   0.273
  174    HA   PHE  19           HA       PHE  19  -0.500 -11.756  -1.708
  175    HB2  PHE  19          2HB       PHE  19   2.234 -12.524  -1.149
  176    HB3  PHE  19          3HB       PHE  19   1.829 -12.832  -2.835
  177    HD1  PHE  19           HD2      PHE  19   0.688 -10.127  -0.550
  178    HD2  PHE  19           HD1      PHE  19   2.874 -11.169  -4.051
  179    HE1  PHE  19           HE2      PHE  19   1.006  -7.741  -1.058
  180    HE2  PHE  19           HE1      PHE  19   3.195  -8.784  -4.564
  181    HZ   PHE  19           HZ       PHE  19   2.260  -7.066  -3.067
  182    H    ARG  20           H        ARG  20  -1.485 -14.445  -0.872
  183    HA   ARG  20           HA       ARG  20  -0.997 -16.451  -2.696
  184    HB2  ARG  20          2HB       ARG  20  -3.069 -17.408  -2.056
  185    HB3  ARG  20          3HB       ARG  20  -2.479 -16.543  -0.644
  186    HG2  ARG  20          2HG       ARG  20  -3.952 -14.601  -1.559
  187    HG3  ARG  20          3HG       ARG  20  -4.765 -15.894  -2.443
  188    HD2  ARG  20          2HD       ARG  20  -4.349 -15.799   0.543
  189    HD3  ARG  20          3HD       ARG  20  -5.852 -15.412  -0.293
  190    HE   ARG  20           HE       ARG  20  -4.903 -18.023  -0.943
  191   HH11  ARG  20          1HH1      ARG  20  -6.605 -16.175   1.467
  192   HH12  ARG  20          2HH1      ARG  20  -7.490 -17.536   2.073
  193   HH21  ARG  20          1HH2      ARG  20  -6.062 -19.822  -0.154
  194   HH22  ARG  20          2HH2      ARG  20  -7.180 -19.610   1.151
  195    H    ARG  21           H        ARG  21  -2.868 -13.530  -3.094
  196    HA   ARG  21           HA       ARG  21  -3.695 -14.399  -5.776
  197    HB2  ARG  21          2HB       ARG  21  -4.747 -12.353  -3.854
  198    HB3  ARG  21          3HB       ARG  21  -5.081 -12.191  -5.573
  199    HG2  ARG  21          2HG       ARG  21  -6.498 -13.959  -5.609
  200    HG3  ARG  21          3HG       ARG  21  -5.626 -14.824  -4.342
  201    HD2  ARG  21          2HD       ARG  21  -6.698 -13.691  -2.645
  202    HD3  ARG  21          3HD       ARG  21  -7.069 -12.302  -3.666
  203    HE   ARG  21           HE       ARG  21  -8.706 -14.579  -3.243
  204   HH11  ARG  21          1HH1      ARG  21  -7.752 -12.279  -5.676
  205   HH12  ARG  21          2HH1      ARG  21  -9.226 -12.423  -6.576
  206   HH21  ARG  21          1HH2      ARG  21 -10.650 -14.777  -4.419
  207   HH22  ARG  21          2HH2      ARG  21 -10.874 -13.844  -5.860
  Start of MODEL    5
    1    H1   ARG   1           H        ARG   1   0.628  -0.308   0.539
    2    HA   ARG   1           HA       ARG   1   1.109  -0.851  -1.619
    3    HB2  ARG   1          2HB       ARG   1   2.979   1.519  -1.450
    4    HB3  ARG   1          3HB       ARG   1   2.569   0.663  -2.930
    5    HG2  ARG   1          2HG       ARG   1   0.205   1.288  -2.598
    6    HG3  ARG   1          3HG       ARG   1   0.680   2.217  -1.175
    7    HD2  ARG   1          2HD       ARG   1   1.091   3.954  -2.494
    8    HD3  ARG   1          3HD       ARG   1   2.382   3.029  -3.260
    9    HE   ARG   1           HE       ARG   1   0.003   2.241  -4.449
   10   HH11  ARG   1          1HH1      ARG   1   1.906   5.139  -4.139
   11   HH12  ARG   1          2HH1      ARG   1   1.391   5.797  -5.657
   12   HH21  ARG   1          1HH2      ARG   1  -0.683   3.096  -6.450
   13   HH22  ARG   1          2HH2      ARG   1  -0.083   4.634  -6.970
   14    H    TRP   2           H        TRP   2   2.283  -2.517  -2.326
   15    HA   TRP   2           HA       TRP   2   4.849  -3.044  -1.008
   16    HB2  TRP   2          2HB       TRP   2   2.663  -4.678  -1.437
   17    HB3  TRP   2          3HB       TRP   2   3.779  -5.170  -2.708
   18    HD1  TRP   2           HD1      TRP   2   6.519  -5.153  -1.317
   19    HE1  TRP   2           HE1      TRP   2   7.054  -6.743   0.635
   20    HE3  TRP   2           HE3      TRP   2   1.753  -6.186   0.217
   21    HZ2  TRP   2           HZ2      TRP   2   5.642  -8.238   2.569
   22    HZ3  TRP   2           HZ3      TRP   2   1.431  -7.706   2.125
   23    HH2  TRP   2           HH2      TRP   2   3.337  -8.710   3.275
   24    H    SER   3           H        SER   3   6.406  -2.032  -2.159
   25    HA   SER   3           HA       SER   3   6.386  -2.167  -5.069
   26    HB2  SER   3          2HB       SER   3   8.612  -0.903  -3.519
   27    HB3  SER   3          3HB       SER   3   7.902  -0.416  -5.058
   28    HG   SER   3           HG       SER   3   7.069   0.127  -2.455
   29    H    ILE   4           H        ILE   4   6.801  -4.374  -5.393
   30    HA   ILE   4           HA       ILE   4   9.534  -5.226  -4.686
   31    HB   ILE   4           HB       ILE   4   8.640  -7.580  -4.965
   32   HG12  ILE   4          2HG1      ILE   4   6.471  -6.515  -6.055
   33   HG13  ILE   4          3HG1      ILE   4   6.389  -8.018  -5.143
   34   HG21  ILE   4          1HG2      ILE   4   9.141  -6.640  -2.786
   35   HG22  ILE   4          2HG2      ILE   4   7.548  -5.887  -2.722
   36   HG23  ILE   4          3HG2      ILE   4   7.694  -7.644  -2.698
   37   HD11  ILE   4          3HD1      ILE   4   5.375  -7.011  -3.332
   38   HD12  ILE   4          1HD1      ILE   4   5.946  -5.403  -3.774
   39   HD13  ILE   4          2HD1      ILE   4   4.652  -6.165  -4.700
   40    H    THR   5           H        THR   5  10.547  -4.525  -6.541
   41    HA   THR   5           HA       THR   5   9.641  -4.713  -9.153
   42    HB   THR   5           HB       THR   5  11.542  -3.456  -9.098
   43    HG1  THR   5           HG1      THR   5  13.358  -4.854  -9.878
   44   HG21  THR   5          3HG2      THR   5  13.645  -4.574  -7.840
   45   HG22  THR   5          1HG2      THR   5  12.324  -5.298  -6.923
   46   HG23  THR   5          2HG2      THR   5  12.466  -3.543  -7.029
   47    H    THR   6           H        THR   6  12.263  -6.809  -7.993
   48    HA   THR   6           HA       THR   6  11.093  -8.997  -9.581
   49    HB   THR   6           HB       THR   6  13.900  -8.147  -9.097
   50    HG1  THR   6           HG1      THR   6  12.978  -9.614 -11.309
   51   HG21  THR   6          3HG2      THR   6  13.054 -11.027  -9.391
   52   HG22  THR   6          1HG2      THR   6  13.997 -10.317  -8.083
   53   HG23  THR   6          2HG2      THR   6  14.690 -10.447  -9.699
   54    H    ILE   7           H        ILE   7  12.370  -8.080  -6.461
   55    HA   ILE   7           HA       ILE   7  12.741 -10.519  -5.233
   56    HB   ILE   7           HB       ILE   7  12.989  -8.077  -4.315
   57   HG12  ILE   7          2HG1      ILE   7  12.083 -10.186  -2.363
   58   HG13  ILE   7          3HG1      ILE   7  13.598 -10.331  -3.246
   59   HG21  ILE   7          1HG2      ILE   7  10.536  -7.654  -4.419
   60   HG22  ILE   7          2HG2      ILE   7  10.326  -8.836  -3.129
   61   HG23  ILE   7          3HG2      ILE   7  11.249  -7.363  -2.832
   62   HD11  ILE   7          3HD1      ILE   7  13.121  -7.796  -1.805
   63   HD12  ILE   7          1HD1      ILE   7  13.432  -9.235  -0.834
   64   HD13  ILE   7          2HD1      ILE   7  14.611  -8.711  -2.038
   65    H    HIS   8           H        HIS   8   9.804  -9.088  -6.309
   66    HA   HIS   8           HA       HIS   8   7.857 -10.096  -4.684
   67    HB2  HIS   8          2HB       HIS   8   7.528  -8.709  -6.762
   68    HB3  HIS   8          3HB       HIS   8   7.703 -10.188  -7.700
   69    HD1  HIS   8           HD1      HIS   8   5.165  -9.268  -8.375
   70    HD2  HIS   8           HD2      HIS   8   5.682 -11.049  -4.656
   71    HE1  HIS   8           HE1      HIS   8   2.862  -9.946  -7.628
   72    H    ASN   9           H        ASN   9   9.904 -11.856  -6.887
   73    HA   ASN   9           HA       ASN   9   8.397 -14.250  -6.991
   74    HB2  ASN   9          2HB       ASN   9  11.260 -13.543  -7.556
   75    HB3  ASN   9          3HB       ASN   9  10.750 -15.229  -7.554
   76   HD21  ASN   9          1HD2      ASN   9  11.500 -15.011  -9.815
   77   HD22  ASN   9          2HD2      ASN   9  10.356 -14.481 -10.996
   78    H    LEU  10           H        LEU  10  11.124 -13.227  -4.958
   79    HA   LEU  10           HA       LEU  10  11.297 -15.633  -3.481
   80    HB2  LEU  10          2HB       LEU  10  13.186 -14.238  -3.460
   81    HB3  LEU  10          3HB       LEU  10  12.240 -12.827  -2.989
   82    HG   LEU  10           HG       LEU  10  11.930 -13.802  -0.752
   83   HD11  LEU  10          1HD1      LEU  10  12.128 -16.174  -1.491
   84   HD12  LEU  10          2HD1      LEU  10  13.086 -15.776  -0.065
   85   HD13  LEU  10          3HD1      LEU  10  13.869 -15.930  -1.637
   86   HD21  LEU  10          3HD2      LEU  10  13.803 -12.792  -0.092
   87   HD22  LEU  10          1HD2      LEU  10  14.199 -12.616  -1.802
   88   HD23  LEU  10          2HD2      LEU  10  14.822 -13.992  -0.890
   89    H    PHE  11           H        PHE  11   9.009 -13.149  -3.458
   90    HA   PHE  11           HA       PHE  11   8.191 -13.703  -0.698
   91    HB2  PHE  11          2HB       PHE  11   7.609 -11.493  -2.638
   92    HB3  PHE  11          3HB       PHE  11   6.498 -11.799  -1.307
   93    HD1  PHE  11           HD2      PHE  11   7.192 -11.445   1.001
   94    HD2  PHE  11           HD1      PHE  11   9.790 -10.573  -2.256
   95    HE1  PHE  11           HE2      PHE  11   8.626 -10.125   2.502
   96    HE2  PHE  11           HE1      PHE  11  11.228  -9.252  -0.760
   97    HZ   PHE  11           HZ       PHE  11  10.646  -9.025   1.622
   98    H    ARG  12           H        ARG  12   7.020 -13.819  -4.026
   99    HA   ARG  12           HA       ARG  12   4.388 -14.497  -3.678
  100    HB2  ARG  12          2HB       ARG  12   4.394 -15.211  -5.865
  101    HB3  ARG  12          3HB       ARG  12   5.873 -14.261  -5.837
  102    HG2  ARG  12          2HG       ARG  12   7.017 -16.510  -5.262
  103    HG3  ARG  12          3HG       ARG  12   5.535 -17.227  -5.897
  104    HD2  ARG  12          2HD       ARG  12   6.454 -15.172  -7.669
  105    HD3  ARG  12          3HD       ARG  12   7.768 -16.299  -7.337
  106    HE   ARG  12           HE       ARG  12   5.373 -16.820  -8.840
  107   HH11  ARG  12          1HH1      ARG  12   7.949 -18.230  -6.970
  108   HH12  ARG  12          2HH1      ARG  12   7.810 -19.790  -7.712
  109   HH21  ARG  12          1HH2      ARG  12   5.180 -18.869  -9.825
  110   HH22  ARG  12          2HH2      ARG  12   6.235 -20.151  -9.336
  111    H    LYS  13           H        LYS  13   7.190 -16.391  -2.951
  112    HA   LYS  13           HA       LYS  13   5.504 -18.744  -2.420
  113    HB2  LYS  13          2HB       LYS  13   7.643 -18.799  -3.932
  114    HB3  LYS  13          3HB       LYS  13   8.499 -18.824  -2.396
  115    HG2  LYS  13          2HG       LYS  13   6.641 -20.770  -2.007
  116    HG3  LYS  13          3HG       LYS  13   6.966 -20.926  -3.735
  117    HD2  LYS  13          2HD       LYS  13   9.476 -20.612  -2.603
  118    HD3  LYS  13          3HD       LYS  13   8.619 -21.647  -1.460
  119    HE2  LYS  13          2HE       LYS  13   9.358 -23.268  -2.860
  120    HE3  LYS  13          3HE       LYS  13   7.891 -22.839  -3.738
  121    HZ1  LYS  13          3HZ       LYS  13   9.068 -22.046  -5.439
  122    HZ2  LYS  13          1HZ       LYS  13  10.395 -22.855  -4.771
  123    HZ3  LYS  13          2HZ       LYS  13  10.152 -21.214  -4.442
  124    H    LEU  14           H        LEU  14   7.938 -16.606  -1.022
  125    HA   LEU  14           HA       LEU  14   8.140 -17.909   1.476
  126    HB2  LEU  14          2HB       LEU  14   9.850 -16.390   0.815
  127    HB3  LEU  14          3HB       LEU  14   8.690 -15.078   0.618
  128    HG   LEU  14           HG       LEU  14  10.254 -15.090   2.677
  129   HD11  LEU  14          1HD1      LEU  14   8.774 -13.724   3.771
  130   HD12  LEU  14          2HD1      LEU  14   7.392 -14.768   3.438
  131   HD13  LEU  14          3HD1      LEU  14   8.060 -13.756   2.158
  132   HD21  LEU  14          3HD2      LEU  14   8.147 -16.646   4.047
  133   HD22  LEU  14          1HD2      LEU  14   9.871 -16.513   4.394
  134   HD23  LEU  14          2HD2      LEU  14   9.312 -17.562   3.090
  135    H    THR  15           H        THR  15   6.263 -15.062   0.455
  136    HA   THR  15           HA       THR  15   4.672 -15.303   2.916
  137    HB   THR  15           HB       THR  15   5.695 -13.098   2.546
  138    HG1  THR  15           HG1      THR  15   3.815 -11.960   2.957
  139   HG21  THR  15          3HG2      THR  15   4.744 -11.686   0.687
  140   HG22  THR  15          1HG2      THR  15   4.096 -13.170  -0.009
  141   HG23  THR  15          2HG2      THR  15   5.839 -12.968   0.172
  142    H    HIS  16           H        HIS  16   4.409 -16.913   0.398
  143    HA   HIS  16           HA       HIS  16   2.257 -16.203  -1.170
  144    HB2  HIS  16          2HB       HIS  16   2.064 -18.480  -1.769
  145    HB3  HIS  16          3HB       HIS  16   3.763 -18.261  -1.358
  146    HD1  HIS  16           HD1      HIS  16   4.216 -18.891   1.350
  147    HD2  HIS  16           HD2      HIS  16   1.029 -20.686  -0.621
  148    HE1  HIS  16           HE1      HIS  16   3.656 -20.937   2.701
  149    H    ARG  17           H        ARG  17   2.285 -17.282   2.133
  150    HA   ARG  17           HA       ARG  17  -0.400 -18.089   2.368
  151    HB2  ARG  17          2HB       ARG  17   1.119 -18.689   4.104
  152    HB3  ARG  17          3HB       ARG  17   1.572 -17.013   4.379
  153    HG2  ARG  17          2HG       ARG  17  -1.279 -17.514   4.730
  154    HG3  ARG  17          3HG       ARG  17  -0.254 -18.435   5.833
  155    HD2  ARG  17          2HD       ARG  17   0.326 -16.610   6.995
  156    HD3  ARG  17          3HD       ARG  17   0.563 -15.649   5.536
  157    HE   ARG  17           HE       ARG  17  -2.200 -16.108   6.119
  158   HH11  ARG  17          1HH1      ARG  17   0.558 -14.123   6.875
  159   HH12  ARG  17          2HH1      ARG  17  -0.393 -12.765   7.378
  160   HH21  ARG  17          1HH2      ARG  17  -3.464 -14.327   6.779
  161   HH22  ARG  17          2HH2      ARG  17  -2.681 -12.883   7.324
  162    H    LEU  18           H        LEU  18   1.107 -14.956   2.313
  163    HA   LEU  18           HA       LEU  18  -1.435 -13.677   3.043
  164    HB2  LEU  18          2HB       LEU  18   0.134 -12.678   4.370
  165    HB3  LEU  18          3HB       LEU  18   1.418 -12.863   3.178
  166    HG   LEU  18           HG       LEU  18   0.491 -10.995   1.892
  167   HD11  LEU  18          1HD1      LEU  18  -1.253  -9.931   3.916
  168   HD12  LEU  18          2HD1      LEU  18  -1.823 -11.507   3.368
  169   HD13  LEU  18          3HD1      LEU  18  -1.560 -10.211   2.202
  170   HD21  LEU  18          3HD2      LEU  18   0.928 -10.331   4.802
  171   HD22  LEU  18          1HD2      LEU  18   1.083  -9.217   3.444
  172   HD23  LEU  18          2HD2      LEU  18   2.196 -10.576   3.600
  173    H    PHE  19           H        PHE  19   1.075 -13.735   0.554
  174    HA   PHE  19           HA       PHE  19  -0.547 -12.018  -1.165
  175    HB2  PHE  19          2HB       PHE  19   2.238 -12.397  -0.822
  176    HB3  PHE  19          3HB       PHE  19   1.845 -12.945  -2.448
  177    HD1  PHE  19           HD1      PHE  19  -0.081 -11.220  -3.501
  178    HD2  PHE  19           HD2      PHE  19   3.066 -10.268  -0.799
  179    HE1  PHE  19           HE1      PHE  19  -0.125  -8.886  -4.279
  180    HE2  PHE  19           HE2      PHE  19   3.027  -7.932  -1.571
  181    HZ   PHE  19           HZ       PHE  19   1.430  -7.238  -3.313
  182    H    ARG  20           H        ARG  20  -1.341 -14.767  -0.498
  183    HA   ARG  20           HA       ARG  20  -0.835 -16.639  -2.459
  184    HB2  ARG  20          2HB       ARG  20  -2.830 -17.737  -1.790
  185    HB3  ARG  20          3HB       ARG  20  -2.210 -16.932  -0.354
  186    HG2  ARG  20          2HG       ARG  20  -3.807 -15.031  -0.939
  187    HG3  ARG  20          3HG       ARG  20  -4.559 -16.174  -2.055
  188    HD2  ARG  20          2HD       ARG  20  -4.090 -16.930   0.802
  189    HD3  ARG  20          3HD       ARG  20  -5.483 -15.944   0.360
  190    HE   ARG  20           HE       ARG  20  -5.530 -18.094  -1.351
  191   HH11  ARG  20          1HH1      ARG  20  -5.601 -17.621   2.097
  192   HH12  ARG  20          2HH1      ARG  20  -6.540 -19.044   2.404
  193   HH21  ARG  20          1HH2      ARG  20  -6.766 -19.970  -0.960
  194   HH22  ARG  20          2HH2      ARG  20  -7.201 -20.380   0.665
  195    H    ARG  21           H        ARG  21  -2.869 -13.804  -2.595
  196    HA   ARG  21           HA       ARG  21  -4.238 -14.527  -4.995
  197    HB2  ARG  21          2HB       ARG  21  -5.097 -12.280  -4.983
  198    HB3  ARG  21          3HB       ARG  21  -5.109 -12.887  -3.333
  199    HG2  ARG  21          2HG       ARG  21  -3.125 -11.619  -2.806
  200    HG3  ARG  21          3HG       ARG  21  -2.989 -11.085  -4.483
  201    HD2  ARG  21          2HD       ARG  21  -5.260 -10.459  -2.598
  202    HD3  ARG  21          3HD       ARG  21  -3.973  -9.350  -3.072
  203    HE   ARG  21           HE       ARG  21  -6.298 -10.071  -4.605
  204   HH11  ARG  21          1HH1      ARG  21  -3.035  -8.863  -4.738
  205   HH12  ARG  21          2HH1      ARG  21  -3.256  -8.058  -6.255
  206   HH21  ARG  21          1HH2      ARG  21  -6.601  -9.015  -6.603
  207   HH22  ARG  21          2HH2      ARG  21  -5.286  -8.144  -7.315
  Start of MODEL    6
    1    H1   ARG   1           H        ARG   1   1.513  -0.826  -0.647
    2    HA   ARG   1           HA       ARG   1   2.048   0.163  -3.328
    3    HB2  ARG   1          2HB       ARG   1   3.062   1.590  -0.862
    4    HB3  ARG   1          3HB       ARG   1   3.566   1.932  -2.512
    5    HG2  ARG   1          2HG       ARG   1   0.713   2.149  -1.594
    6    HG3  ARG   1          3HG       ARG   1   1.856   3.493  -1.536
    7    HD2  ARG   1          2HD       ARG   1   2.156   3.406  -3.922
    8    HD3  ARG   1          3HD       ARG   1   1.170   1.948  -4.032
    9    HE   ARG   1           HE       ARG   1  -0.478   3.800  -2.892
   10   HH11  ARG   1          1HH1      ARG   1   1.409   3.654  -5.814
   11   HH12  ARG   1          2HH1      ARG   1   0.332   4.669  -6.715
   12   HH21  ARG   1          1HH2      ARG   1  -1.904   5.136  -4.068
   13   HH22  ARG   1          2HH2      ARG   1  -1.552   5.512  -5.721
   14    H    TRP   2           H        TRP   2   2.534  -2.333  -2.719
   15    HA   TRP   2           HA       TRP   2   5.121  -2.743  -1.530
   16    HB2  TRP   2          2HB       TRP   2   2.921  -4.350  -1.997
   17    HB3  TRP   2          3HB       TRP   2   4.096  -4.935  -3.171
   18    HD1  TRP   2           HD1      TRP   2   6.750  -4.915  -1.635
   19    HE1  TRP   2           HE1      TRP   2   7.133  -6.399   0.433
   20    HE3  TRP   2           HE3      TRP   2   1.881  -5.722  -0.304
   21    HZ2  TRP   2           HZ2      TRP   2   5.576  -7.736   2.371
   22    HZ3  TRP   2           HZ3      TRP   2   1.413  -7.115   1.669
   23    HH2  TRP   2           HH2      TRP   2   3.223  -8.101   2.978
   24    H    SER   3           H        SER   3   6.765  -1.833  -2.644
   25    HA   SER   3           HA       SER   3   6.894  -2.118  -5.540
   26    HB2  SER   3          2HB       SER   3   8.875  -0.740  -3.717
   27    HB3  SER   3          3HB       SER   3   8.716  -0.548  -5.462
   28    HG   SER   3           HG       SER   3   7.197   0.529  -3.404
   29    H    ILE   4           H        ILE   4   7.267  -4.349  -5.729
   30    HA   ILE   4           HA       ILE   4   9.932  -5.230  -4.828
   31    HB   ILE   4           HB       ILE   4   8.993  -7.571  -5.049
   32   HG12  ILE   4          2HG1      ILE   4   6.922  -6.508  -6.316
   33   HG13  ILE   4          3HG1      ILE   4   6.746  -7.964  -5.342
   34   HG21  ILE   4          1HG2      ILE   4   9.388  -6.539  -2.889
   35   HG22  ILE   4          2HG2      ILE   4   7.815  -5.746  -2.958
   36   HG23  ILE   4          3HG2      ILE   4   7.913  -7.503  -2.842
   37   HD11  ILE   4          3HD1      ILE   4   5.036  -6.050  -5.093
   38   HD12  ILE   4          1HD1      ILE   4   5.650  -6.850  -3.647
   39   HD13  ILE   4          2HD1      ILE   4   6.291  -5.278  -4.125
   40    H    THR   5           H        THR   5  11.069  -4.641  -6.650
   41    HA   THR   5           HA       THR   5  10.310  -4.936  -9.300
   42    HB   THR   5           HB       THR   5  12.233  -3.717  -9.192
   43    HG1  THR   5           HG1      THR   5  12.931  -5.099 -10.707
   44   HG21  THR   5          3HG2      THR   5  14.233  -4.815  -7.761
   45   HG22  THR   5          1HG2      THR   5  12.845  -5.466  -6.891
   46   HG23  THR   5          2HG2      THR   5  13.033  -3.722  -7.071
   47    H    THR   6           H        THR   6  12.813  -7.025  -7.892
   48    HA   THR   6           HA       THR   6  11.689  -9.262  -9.443
   49    HB   THR   6           HB       THR   6  14.480  -8.452  -8.817
   50    HG1  THR   6           HG1      THR   6  13.260  -8.415 -10.936
   51   HG21  THR   6          3HG2      THR   6  13.584 -11.324  -9.040
   52   HG22  THR   6          1HG2      THR   6  14.453 -10.575  -7.701
   53   HG23  THR   6          2HG2      THR   6  15.251 -10.793  -9.259
   54    H    ILE   7           H        ILE   7  12.793  -8.227  -6.294
   55    HA   ILE   7           HA       ILE   7  13.019 -10.615  -4.935
   56    HB   ILE   7           HB       ILE   7  13.281  -8.140  -4.114
   57   HG12  ILE   7          2HG1      ILE   7  12.192 -10.132  -2.132
   58   HG13  ILE   7          3HG1      ILE   7  13.758 -10.352  -2.905
   59   HG21  ILE   7          1HG2      ILE   7  10.855  -7.654  -4.394
   60   HG22  ILE   7          2HG2      ILE   7  10.527  -8.771  -3.070
   61   HG23  ILE   7          3HG2      ILE   7  11.473  -7.311  -2.778
   62   HD11  ILE   7          3HD1      ILE   7  14.737  -8.877  -1.563
   63   HD12  ILE   7          1HD1      ILE   7  13.432  -7.707  -1.751
   64   HD13  ILE   7          2HD1      ILE   7  13.288  -9.007  -0.568
   65    H    HIS   8           H        HIS   8  10.196  -9.162  -6.256
   66    HA   HIS   8           HA       HIS   8   8.124 -10.041  -4.712
   67    HB2  HIS   8          2HB       HIS   8   7.962  -8.748  -6.868
   68    HB3  HIS   8          3HB       HIS   8   8.157 -10.274  -7.725
   69    HD1  HIS   8           HD1      HIS   8   5.692  -9.331  -8.603
   70    HD2  HIS   8           HD2      HIS   8   5.926 -10.942  -4.781
   71    HE1  HIS   8           HE1      HIS   8   3.329  -9.919  -7.975
   72    H    ASN   9           H        ASN   9  10.251 -11.957  -6.701
   73    HA   ASN   9           HA       ASN   9   8.688 -14.314  -6.787
   74    HB2  ASN   9          2HB       ASN   9  11.612 -13.732  -7.177
   75    HB3  ASN   9          3HB       ASN   9  11.017 -15.390  -7.177
   76   HD21  ASN   9          1HD2      ASN   9  10.437 -16.184  -9.059
   77   HD22  ASN   9          2HD2      ASN   9   9.990 -15.270 -10.456
   78    H    LEU  10           H        LEU  10  11.313 -13.265  -4.635
   79    HA   LEU  10           HA       LEU  10  11.327 -15.600  -3.041
   80    HB2  LEU  10          2HB       LEU  10  13.246 -14.251  -2.959
   81    HB3  LEU  10          3HB       LEU  10  12.310 -12.797  -2.620
   82    HG   LEU  10           HG       LEU  10  11.836 -13.639  -0.364
   83   HD11  LEU  10          1HD1      LEU  10  12.880 -15.614   0.494
   84   HD12  LEU  10          2HD1      LEU  10  13.733 -15.884  -1.025
   85   HD13  LEU  10          3HD1      LEU  10  11.978 -16.050  -0.958
   86   HD21  LEU  10          3HD2      LEU  10  13.944 -12.311  -1.049
   87   HD22  LEU  10          1HD2      LEU  10  14.797 -13.827  -0.760
   88   HD23  LEU  10          2HD2      LEU  10  13.891 -13.062   0.546
   89    H    PHE  11           H        PHE  11   9.111 -13.059  -3.275
   90    HA   PHE  11           HA       PHE  11   8.104 -13.464  -0.553
   91    HB2  PHE  11          2HB       PHE  11   7.695 -11.340  -2.629
   92    HB3  PHE  11          3HB       PHE  11   6.503 -11.555  -1.352
   93    HD1  PHE  11           HD1      PHE  11   7.087 -11.123   0.979
   94    HD2  PHE  11           HD2      PHE  11   9.860 -10.429  -2.175
   95    HE1  PHE  11           HE1      PHE  11   8.466  -9.761   2.495
   96    HE2  PHE  11           HE2      PHE  11  11.243  -9.067  -0.664
   97    HZ   PHE  11           HZ       PHE  11  10.547  -8.731   1.675
   98    H    ARG  12           H        ARG  12   7.142 -13.715  -3.940
   99    HA   ARG  12           HA       ARG  12   4.477 -14.317  -3.731
  100    HB2  ARG  12          2HB       ARG  12   4.603 -15.136  -5.877
  101    HB3  ARG  12          3HB       ARG  12   6.103 -14.221  -5.798
  102    HG2  ARG  12          2HG       ARG  12   7.145 -16.469  -5.042
  103    HG3  ARG  12          3HG       ARG  12   5.688 -17.177  -5.742
  104    HD2  ARG  12          2HD       ARG  12   6.908 -15.194  -7.480
  105    HD3  ARG  12          3HD       ARG  12   8.010 -16.515  -7.092
  106    HE   ARG  12           HE       ARG  12   5.701 -16.639  -8.771
  107   HH11  ARG  12          1HH1      ARG  12   7.716 -18.478  -6.609
  108   HH12  ARG  12          2HH1      ARG  12   7.326 -20.003  -7.333
  109   HH21  ARG  12          1HH2      ARG  12   5.180 -18.641  -9.733
  110   HH22  ARG  12          2HH2      ARG  12   5.884 -20.094  -9.111
  111    H    LYS  13           H        LYS  13   7.179 -16.237  -2.739
  112    HA   LYS  13           HA       LYS  13   5.404 -18.522  -2.206
  113    HB2  LYS  13          2HB       LYS  13   7.644 -18.687  -3.567
  114    HB3  LYS  13          3HB       LYS  13   8.385 -18.678  -1.972
  115    HG2  LYS  13          2HG       LYS  13   6.481 -20.559  -1.617
  116    HG3  LYS  13          3HG       LYS  13   6.840 -20.775  -3.331
  117    HD2  LYS  13          2HD       LYS  13   8.882 -21.625  -2.918
  118    HD3  LYS  13          3HD       LYS  13   9.205 -20.472  -1.622
  119    HE2  LYS  13          2HE       LYS  13   8.246 -21.810  -0.013
  120    HE3  LYS  13          3HE       LYS  13   7.212 -22.644  -1.171
  121    HZ1  LYS  13          3HZ       LYS  13  10.109 -23.049  -0.704
  122    HZ2  LYS  13          1HZ       LYS  13   9.314 -23.654  -2.069
  123    HZ3  LYS  13          2HZ       LYS  13   8.858 -24.174  -0.526
  124    H    LEU  14           H        LEU  14   7.799 -16.375  -0.755
  125    HA   LEU  14           HA       LEU  14   7.807 -17.558   1.809
  126    HB2  LEU  14          2HB       LEU  14   9.594 -16.111   1.192
  127    HB3  LEU  14          3HB       LEU  14   8.482 -14.786   0.855
  128    HG   LEU  14           HG       LEU  14   9.908 -14.729   3.011
  129   HD11  LEU  14          1HD1      LEU  14   7.012 -14.307   3.566
  130   HD12  LEU  14          2HD1      LEU  14   7.786 -13.376   2.283
  131   HD13  LEU  14          3HD1      LEU  14   8.396 -13.277   3.935
  132   HD21  LEU  14          3HD2      LEU  14   9.380 -16.056   4.765
  133   HD22  LEU  14          1HD2      LEU  14   8.878 -17.155   3.480
  134   HD23  LEU  14          2HD2      LEU  14   7.678 -16.167   4.313
  135    H    THR  15           H        THR  15   6.072 -14.723   0.536
  136    HA   THR  15           HA       THR  15   4.318 -14.814   2.895
  137    HB   THR  15           HB       THR  15   5.423 -12.653   2.502
  138    HG1  THR  15           HG1      THR  15   3.275 -12.722   3.388
  139   HG21  THR  15          3HG2      THR  15   4.646 -11.300   0.527
  140   HG22  THR  15          1HG2      THR  15   3.987 -12.790  -0.147
  141   HG23  THR  15          2HG2      THR  15   5.722 -12.640   0.134
  142    H    HIS  16           H        HIS  16   4.170 -16.536   0.451
  143    HA   HIS  16           HA       HIS  16   2.156 -15.845  -1.297
  144    HB2  HIS  16          2HB       HIS  16   1.929 -18.144  -1.795
  145    HB3  HIS  16          3HB       HIS  16   3.602 -17.952  -1.281
  146    HD1  HIS  16           HD1      HIS  16   0.939 -20.197  -0.873
  147    HD2  HIS  16           HD2      HIS  16   3.682 -18.508   1.751
  148    HE1  HIS  16           HE1      HIS  16   0.970 -21.711   1.135
  149    H    ARG  17           H        ARG  17   1.924 -16.738   2.050
  150    HA   ARG  17           HA       ARG  17  -0.795 -17.462   2.139
  151    HB2  ARG  17          2HB       ARG  17   1.119 -16.390   4.197
  152    HB3  ARG  17          3HB       ARG  17  -0.565 -16.707   4.591
  153    HG2  ARG  17          2HG       ARG  17  -0.113 -18.847   4.905
  154    HG3  ARG  17          3HG       ARG  17   0.503 -18.984   3.257
  155    HD2  ARG  17          2HD       ARG  17   2.368 -19.581   4.442
  156    HD3  ARG  17          3HD       ARG  17   2.625 -17.842   4.305
  157    HE   ARG  17           HE       ARG  17   1.219 -18.220   6.646
  158   HH11  ARG  17          1HH1      ARG  17   4.276 -19.237   5.327
  159   HH12  ARG  17          2HH1      ARG  17   5.056 -19.341   6.870
  160   HH21  ARG  17          1HH2      ARG  17   2.234 -18.353   8.684
  161   HH22  ARG  17          2HH2      ARG  17   3.893 -18.839   8.780
  162    H    LEU  18           H        LEU  18   0.806 -14.380   2.014
  163    HA   LEU  18           HA       LEU  18  -1.742 -12.997   2.490
  164    HB2  LEU  18          2HB       LEU  18  -0.252 -11.975   3.890
  165    HB3  LEU  18          3HB       LEU  18   1.115 -12.253   2.813
  166    HG   LEU  18           HG       LEU  18   0.339 -10.429   1.368
  167   HD11  LEU  18          1HD1      LEU  18  -1.694  -9.547   1.503
  168   HD12  LEU  18          2HD1      LEU  18  -1.512  -9.233   3.228
  169   HD13  LEU  18          3HD1      LEU  18  -2.090 -10.804   2.674
  170   HD21  LEU  18          3HD2      LEU  18   0.623  -9.669   4.274
  171   HD22  LEU  18          1HD2      LEU  18   0.843  -8.584   2.901
  172   HD23  LEU  18          2HD2      LEU  18   1.941  -9.945   3.133
  173    H    PHE  19           H        PHE  19   0.900 -13.351   0.188
  174    HA   PHE  19           HA       PHE  19  -0.461 -11.604  -1.718
  175    HB2  PHE  19          2HB       PHE  19   2.280 -12.382  -1.242
  176    HB3  PHE  19          3HB       PHE  19   1.837 -12.686  -2.919
  177    HD1  PHE  19           HD1      PHE  19   0.735  -9.986  -0.612
  178    HD2  PHE  19           HD2      PHE  19   2.869 -11.020  -4.147
  179    HE1  PHE  19           HE1      PHE  19   1.042  -7.598  -1.121
  180    HE2  PHE  19           HE2      PHE  19   3.181  -8.634  -4.661
  181    HZ   PHE  19           HZ       PHE  19   2.268  -6.920  -3.146
  182    H    ARG  20           H        ARG  20  -1.426 -14.317  -0.912
  183    HA   ARG  20           HA       ARG  20  -1.004 -16.269  -2.815
  184    HB2  ARG  20          2HB       ARG  20  -3.049 -17.252  -2.120
  185    HB3  ARG  20          3HB       ARG  20  -2.391 -16.438  -0.706
  186    HG2  ARG  20          2HG       ARG  20  -3.901 -14.467  -1.451
  187    HG3  ARG  20          3HG       ARG  20  -4.748 -15.704  -2.383
  188    HD2  ARG  20          2HD       ARG  20  -4.219 -16.576   0.325
  189    HD3  ARG  20          3HD       ARG  20  -5.136 -15.071   0.295
  190    HE   ARG  20           HE       ARG  20  -6.080 -17.664  -0.417
  191   HH11  ARG  20          1HH1      ARG  20  -6.415 -14.272  -1.125
  192   HH12  ARG  20          2HH1      ARG  20  -8.044 -14.418  -1.696
  193   HH21  ARG  20          1HH2      ARG  20  -8.225 -17.870  -1.167
  194   HH22  ARG  20          2HH2      ARG  20  -9.073 -16.465  -1.719
  195    H    ARG  21           H        ARG  21  -2.908 -13.349  -3.038
  196    HA   ARG  21           HA       ARG  21  -4.260 -14.099  -5.454
  197    HB2  ARG  21          2HB       ARG  21  -3.959 -11.500  -3.960
  198    HB3  ARG  21          3HB       ARG  21  -4.791 -11.594  -5.506
  199    HG2  ARG  21          2HG       ARG  21  -6.427 -13.101  -4.595
  200    HG3  ARG  21          3HG       ARG  21  -5.545 -13.190  -3.069
  201    HD2  ARG  21          2HD       ARG  21  -5.979 -10.862  -2.628
  202    HD3  ARG  21          3HD       ARG  21  -6.718 -10.661  -4.216
  203    HE   ARG  21           HE       ARG  21  -7.971 -11.659  -1.865
  204   HH11  ARG  21          1HH1      ARG  21  -7.910 -11.966  -5.332
  205   HH12  ARG  21          2HH1      ARG  21  -9.551 -12.509  -5.444
  206   HH21  ARG  21          1HH2      ARG  21 -10.133 -12.374  -1.998
  207   HH22  ARG  21          2HH2      ARG  21 -10.815 -12.741  -3.547
  Start of MODEL    7
    1    H1   ARG   1           H        ARG   1   2.280   1.508  -0.377
    2    HA   ARG   1           HA       ARG   1   1.190  -0.515  -0.960
    3    HB2  ARG   1          2HB       ARG   1   1.034  -1.245  -3.268
    4    HB3  ARG   1          3HB       ARG   1   0.438   0.404  -3.126
    5    HG2  ARG   1          2HG       ARG   1   2.888   1.029  -3.794
    6    HG3  ARG   1          3HG       ARG   1   2.908  -0.613  -4.438
    7    HD2  ARG   1          2HD       ARG   1   0.672   1.271  -5.091
    8    HD3  ARG   1          3HD       ARG   1   2.191   1.330  -5.983
    9    HE   ARG   1           HE       ARG   1   0.148  -0.686  -6.166
   10   HH11  ARG   1          1HH1      ARG   1   3.518   0.039  -6.657
   11   HH12  ARG   1          2HH1      ARG   1   3.748  -1.207  -7.838
   12   HH21  ARG   1          1HH2      ARG   1   0.439  -2.330  -7.720
   13   HH22  ARG   1          2HH2      ARG   1   1.996  -2.553  -8.443
   14    H    TRP   2           H        TRP   2   2.150  -2.631  -1.973
   15    HA   TRP   2           HA       TRP   2   4.750  -2.941  -0.842
   16    HB2  TRP   2          2HB       TRP   2   2.644  -4.636  -1.412
   17    HB3  TRP   2          3HB       TRP   2   3.864  -5.112  -2.590
   18    HD1  TRP   2           HD1      TRP   2   6.492  -5.022  -1.010
   19    HE1  TRP   2           HE1      TRP   2   6.920  -6.572   1.000
   20    HE3  TRP   2           HE3      TRP   2   1.651  -6.130   0.204
   21    HZ2  TRP   2           HZ2      TRP   2   5.405  -8.066   2.855
   22    HZ3  TRP   2           HZ3      TRP   2   1.227  -7.628   2.110
   23    HH2  TRP   2           HH2      TRP   2   3.066  -8.575   3.406
   24    H    SER   3           H        SER   3   6.271  -1.761  -1.933
   25    HA   SER   3           HA       SER   3   6.477  -1.787  -4.791
   26    HB2  SER   3          2HB       SER   3   8.793  -0.716  -4.172
   27    HB3  SER   3          3HB       SER   3   7.306   0.190  -3.899
   28    HG   SER   3           HG       SER   3   7.515  -0.062  -1.783
   29    H    ILE   4           H        ILE   4   6.616  -4.037  -5.240
   30    HA   ILE   4           HA       ILE   4   9.269  -5.187  -4.665
   31    HB   ILE   4           HB       ILE   4   8.231  -7.427  -4.850
   32   HG12  ILE   4          2HG1      ILE   4   5.875  -5.773  -5.478
   33   HG13  ILE   4          3HG1      ILE   4   6.250  -7.427  -5.951
   34   HG21  ILE   4          1HG2      ILE   4   8.576  -6.211  -2.674
   35   HG22  ILE   4          2HG2      ILE   4   6.867  -5.786  -2.729
   36   HG23  ILE   4          3HG2      ILE   4   7.351  -7.479  -2.647
   37   HD11  ILE   4          3HD1      ILE   4   4.295  -7.477  -4.611
   38   HD12  ILE   4          1HD1      ILE   4   5.614  -8.137  -3.645
   39   HD13  ILE   4          2HD1      ILE   4   5.052  -6.489  -3.361
   40    H    THR   5           H        THR   5  10.283  -4.575  -6.537
   41    HA   THR   5           HA       THR   5   9.052  -4.981  -9.114
   42    HB   THR   5           HB       THR   5  10.548  -3.078  -8.800
   43    HG1  THR   5           HG1      THR   5  10.463  -4.483 -10.845
   44   HG21  THR   5          3HG2      THR   5  12.753  -3.211  -8.148
   45   HG22  THR   5          1HG2      THR   5  12.928  -4.878  -8.695
   46   HG23  THR   5          2HG2      THR   5  12.053  -4.526  -7.204
   47    H    THR   6           H        THR   6  11.717  -6.433  -7.276
   48    HA   THR   6           HA       THR   6  11.605  -8.741  -9.107
   49    HB   THR   6           HB       THR   6  13.953  -7.281  -8.000
   50    HG1  THR   6           HG1      THR   6  13.486  -8.742 -10.406
   51   HG21  THR   6          3HG2      THR   6  13.932 -10.256  -8.524
   52   HG22  THR   6          1HG2      THR   6  14.213  -9.469  -6.971
   53   HG23  THR   6          2HG2      THR   6  15.378  -9.276  -8.281
   54    H    ILE   7           H        ILE   7  12.138  -7.628  -5.802
   55    HA   ILE   7           HA       ILE   7  12.582 -10.055  -4.535
   56    HB   ILE   7           HB       ILE   7  12.402  -7.532  -3.645
   57   HG12  ILE   7          2HG1      ILE   7  11.846  -9.797  -1.743
   58   HG13  ILE   7          3HG1      ILE   7  13.379  -9.683  -2.600
   59   HG21  ILE   7          1HG2      ILE   7   9.904  -7.629  -3.844
   60   HG22  ILE   7          2HG2      ILE   7   9.913  -8.814  -2.539
   61   HG23  ILE   7          3HG2      ILE   7  10.506  -7.178  -2.248
   62   HD11  ILE   7          3HD1      ILE   7  13.661  -8.723  -0.447
   63   HD12  ILE   7          1HD1      ILE   7  13.663  -7.408  -1.622
   64   HD13  ILE   7          2HD1      ILE   7  12.228  -7.715  -0.644
   65    H    HIS   8           H        HIS   8   9.725  -8.872  -6.016
   66    HA   HIS   8           HA       HIS   8   7.674 -10.059  -4.624
   67    HB2  HIS   8          2HB       HIS   8   7.616  -8.629  -6.780
   68    HB3  HIS   8          3HB       HIS   8   7.756 -10.166  -7.628
   69    HD1  HIS   8           HD1      HIS   8   5.264  -8.692  -8.202
   70    HD2  HIS   8           HD2      HIS   8   5.592 -11.221  -4.923
   71    HE1  HIS   8           HE1      HIS   8   2.905  -9.329  -7.606
   72    H    ASN   9           H        ASN   9  10.160 -11.572  -6.494
   73    HA   ASN   9           HA       ASN   9   8.835 -14.076  -6.866
   74    HB2  ASN   9          2HB       ASN   9  11.708 -13.192  -7.105
   75    HB3  ASN   9          3HB       ASN   9  11.227 -14.870  -7.342
   76   HD21  ASN   9          1HD2      ASN   9  11.719 -11.943  -8.823
   77   HD22  ASN   9          2HD2      ASN   9  10.873 -12.239 -10.301
   78    H    LEU  10           H        LEU  10  11.328 -12.915  -4.612
   79    HA   LEU  10           HA       LEU  10  11.513 -15.354  -3.171
   80    HB2  LEU  10          2HB       LEU  10  13.360 -13.908  -3.036
   81    HB3  LEU  10          3HB       LEU  10  12.353 -12.530  -2.596
   82    HG   LEU  10           HG       LEU  10  11.958 -13.539  -0.391
   83   HD11  LEU  10          1HD1      LEU  10  13.106 -15.500   0.330
   84   HD12  LEU  10          2HD1      LEU  10  13.988 -15.614  -1.193
   85   HD13  LEU  10          3HD1      LEU  10  12.247 -15.897  -1.158
   86   HD21  LEU  10          3HD2      LEU  10  14.879 -13.314  -1.111
   87   HD22  LEU  10          1HD2      LEU  10  14.191 -13.180   0.508
   88   HD23  LEU  10          2HD2      LEU  10  13.809 -11.968  -0.716
   89    H    PHE  11           H        PHE  11   9.180 -12.902  -3.226
   90    HA   PHE  11           HA       PHE  11   8.219 -13.539  -0.530
   91    HB2  PHE  11          2HB       PHE  11   7.782 -11.267  -2.420
   92    HB3  PHE  11          3HB       PHE  11   6.520 -11.641  -1.251
   93    HD1  PHE  11           HD2      PHE  11  10.134 -10.853  -1.537
   94    HD2  PHE  11           HD1      PHE  11   6.674 -10.880   0.942
   95    HE1  PHE  11           HE2      PHE  11  11.360  -9.589   0.181
   96    HE2  PHE  11           HE1      PHE  11   7.894  -9.615   2.664
   97    HZ   PHE  11           HZ       PHE  11  10.241  -8.969   2.286
   98    H    ARG  12           H        ARG  12   7.228 -13.570  -3.919
   99    HA   ARG  12           HA       ARG  12   4.594 -14.285  -3.744
  100    HB2  ARG  12          2HB       ARG  12   5.473 -13.932  -5.902
  101    HB3  ARG  12          3HB       ARG  12   6.739 -15.132  -5.674
  102    HG2  ARG  12          2HG       ARG  12   4.977 -15.889  -7.205
  103    HG3  ARG  12          3HG       ARG  12   5.123 -16.919  -5.780
  104    HD2  ARG  12          2HD       ARG  12   3.253 -15.529  -4.770
  105    HD3  ARG  12          3HD       ARG  12   3.015 -14.862  -6.385
  106    HE   ARG  12           HE       ARG  12   2.264 -17.476  -5.462
  107   HH11  ARG  12          1HH1      ARG  12   3.094 -15.556  -8.246
  108   HH12  ARG  12          2HH1      ARG  12   2.252 -16.577  -9.364
  109   HH21  ARG  12          1HH2      ARG  12   1.151 -18.827  -6.924
  110   HH22  ARG  12          2HH2      ARG  12   1.146 -18.436  -8.611
  111    H    LYS  13           H        LYS  13   7.372 -16.188  -2.923
  112    HA   LYS  13           HA       LYS  13   5.672 -18.556  -2.522
  113    HB2  LYS  13          2HB       LYS  13   7.944 -18.512  -3.888
  114    HB3  LYS  13          3HB       LYS  13   8.645 -18.679  -2.284
  115    HG2  LYS  13          2HG       LYS  13   6.946 -20.640  -2.049
  116    HG3  LYS  13          3HG       LYS  13   6.937 -20.585  -3.814
  117    HD2  LYS  13          2HD       LYS  13   9.010 -21.446  -3.971
  118    HD3  LYS  13          3HD       LYS  13   9.610 -20.504  -2.604
  119    HE2  LYS  13          2HE       LYS  13   8.872 -22.077  -1.046
  120    HE3  LYS  13          3HE       LYS  13   7.758 -22.824  -2.189
  121    HZ1  LYS  13          3HZ       LYS  13   9.769 -24.159  -1.748
  122    HZ2  LYS  13          1HZ       LYS  13  10.714 -22.932  -2.429
  123    HZ3  LYS  13          2HZ       LYS  13   9.589 -23.760  -3.382
  124    H    LEU  14           H        LEU  14   8.013 -16.436  -0.947
  125    HA   LEU  14           HA       LEU  14   8.086 -17.789   1.531
  126    HB2  LEU  14          2HB       LEU  14   9.815 -16.239   0.988
  127    HB3  LEU  14          3HB       LEU  14   8.653 -14.932   0.773
  128    HG   LEU  14           HG       LEU  14  10.117 -14.995   2.904
  129   HD11  LEU  14          1HD1      LEU  14   7.218 -14.707   3.528
  130   HD12  LEU  14          2HD1      LEU  14   7.947 -13.654   2.316
  131   HD13  LEU  14          3HD1      LEU  14   8.576 -13.668   3.963
  132   HD21  LEU  14          3HD2      LEU  14   7.951 -16.604   4.116
  133   HD22  LEU  14          1HD2      LEU  14   9.650 -16.462   4.565
  134   HD23  LEU  14          2HD2      LEU  14   9.181 -17.481   3.204
  135    H    THR  15           H        THR  15   6.249 -14.929   0.472
  136    HA   THR  15           HA       THR  15   4.534 -15.221   2.841
  137    HB   THR  15           HB       THR  15   5.539 -12.999   2.536
  138    HG1  THR  15           HG1      THR  15   3.510 -13.036   3.510
  139   HG21  THR  15          3HG2      THR  15   4.637 -11.592   0.634
  140   HG22  THR  15          1HG2      THR  15   4.092 -13.097  -0.105
  141   HG23  THR  15          2HG2      THR  15   5.811 -12.828   0.184
  142    H    HIS  16           H        HIS  16   4.421 -16.812   0.296
  143    HA   HIS  16           HA       HIS  16   2.333 -16.123  -1.364
  144    HB2  HIS  16          2HB       HIS  16   3.872 -18.142  -1.529
  145    HB3  HIS  16          3HB       HIS  16   2.795 -18.941  -0.388
  146    HD1  HIS  16           HD1      HIS  16   1.017 -16.786  -2.747
  147    HD2  HIS  16           HD2      HIS  16   2.316 -20.731  -2.626
  148    HE1  HIS  16           HE1      HIS  16  -0.253 -17.969  -4.567
  149    H    ARG  17           H        ARG  17   2.226 -17.253   1.922
  150    HA   ARG  17           HA       ARG  17  -0.452 -18.106   2.022
  151    HB2  ARG  17          2HB       ARG  17  -0.262 -17.810   4.451
  152    HB3  ARG  17          3HB       ARG  17   1.150 -18.625   3.791
  153    HG2  ARG  17          2HG       ARG  17   2.314 -16.403   3.796
  154    HG3  ARG  17          3HG       ARG  17   0.934 -15.767   4.694
  155    HD2  ARG  17          2HD       ARG  17   1.821 -18.199   5.909
  156    HD3  ARG  17          3HD       ARG  17   3.197 -17.118   5.698
  157    HE   ARG  17           HE       ARG  17   1.062 -15.657   6.776
  158   HH11  ARG  17          1HH1      ARG  17   3.275 -18.194   7.663
  159   HH12  ARG  17          2HH1      ARG  17   3.247 -17.806   9.351
  160   HH21  ARG  17          1HH2      ARG  17   1.017 -15.137   8.996
  161   HH22  ARG  17          2HH2      ARG  17   1.962 -16.068  10.108
  162    H    LEU  18           H        LEU  18   1.000 -14.944   2.090
  163    HA   LEU  18           HA       LEU  18  -1.592 -13.718   2.719
  164    HB2  LEU  18          2HB       LEU  18  -0.090 -12.702   4.110
  165    HB3  LEU  18          3HB       LEU  18   1.239 -12.853   2.963
  166    HG   LEU  18           HG       LEU  18   0.312 -10.994   1.657
  167   HD11  LEU  18          1HD1      LEU  18  -1.751 -10.221   1.929
  168   HD12  LEU  18          2HD1      LEU  18  -1.504  -9.993   3.660
  169   HD13  LEU  18          3HD1      LEU  18  -2.033 -11.558   3.044
  170   HD21  LEU  18          3HD2      LEU  18   1.971 -10.467   3.309
  171   HD22  LEU  18          1HD2      LEU  18   0.757 -10.447   4.588
  172   HD23  LEU  18          2HD2      LEU  18   0.736  -9.208   3.332
  173    H    PHE  19           H        PHE  19   0.905 -13.913   0.264
  174    HA   PHE  19           HA       PHE  19  -0.566 -12.074  -1.467
  175    HB2  PHE  19          2HB       PHE  19   2.202 -12.885  -1.206
  176    HB3  PHE  19          3HB       PHE  19   1.649 -13.062  -2.868
  177    HD1  PHE  19           HD2      PHE  19   0.702 -10.538  -0.308
  178    HD2  PHE  19           HD1      PHE  19   2.627 -11.312  -4.025
  179    HE1  PHE  19           HE2      PHE  19   0.993  -8.120  -0.658
  180    HE2  PHE  19           HE1      PHE  19   2.921  -8.896  -4.380
  181    HZ   PHE  19           HZ       PHE  19   2.103  -7.296  -2.696
  182    H    ARG  20           H        ARG  20  -1.443 -14.853  -0.735
  183    HA   ARG  20           HA       ARG  20  -1.135 -16.675  -2.790
  184    HB2  ARG  20          2HB       ARG  20  -3.163 -17.714  -2.024
  185    HB3  ARG  20          3HB       ARG  20  -2.296 -17.098  -0.624
  186    HG2  ARG  20          2HG       ARG  20  -3.851 -14.996  -1.057
  187    HG3  ARG  20          3HG       ARG  20  -4.872 -16.230  -1.796
  188    HD2  ARG  20          2HD       ARG  20  -3.766 -16.293   1.010
  189    HD3  ARG  20          3HD       ARG  20  -5.426 -15.898   0.564
  190    HE   ARG  20           HE       ARG  20  -4.305 -18.499   0.830
  191   HH11  ARG  20          1HH1      ARG  20  -6.624 -16.641  -0.985
  192   HH12  ARG  20          2HH1      ARG  20  -7.618 -18.008  -1.363
  193   HH21  ARG  20          1HH2      ARG  20  -5.607 -20.307   0.338
  194   HH22  ARG  20          2HH2      ARG  20  -7.040 -20.092  -0.610
  195    H    ARG  21           H        ARG  21  -3.086 -13.788  -2.665
  196    HA   ARG  21           HA       ARG  21  -4.912 -14.230  -4.689
  197    HB2  ARG  21          2HB       ARG  21  -5.005 -11.819  -4.968
  198    HB3  ARG  21          3HB       ARG  21  -4.876 -12.219  -3.261
  199    HG2  ARG  21          2HG       ARG  21  -2.533 -11.647  -3.259
  200    HG3  ARG  21          3HG       ARG  21  -2.574 -11.359  -5.000
  201    HD2  ARG  21          2HD       ARG  21  -4.620  -9.778  -3.994
  202    HD3  ARG  21          3HD       ARG  21  -3.324  -9.614  -2.809
  203    HE   ARG  21           HE       ARG  21  -2.129  -9.292  -5.265
  204   HH11  ARG  21          1HH1      ARG  21  -4.675  -7.731  -3.476
  205   HH12  ARG  21          2HH1      ARG  21  -4.396  -6.175  -4.184
  206   HH21  ARG  21          1HH2      ARG  21  -1.751  -7.248  -6.204
  207   HH22  ARG  21          2HH2      ARG  21  -2.734  -5.901  -5.736
  Start of MODEL    8
    1    H1   ARG   1           H        ARG   1   0.652  -1.289  -0.210
    2    HA   ARG   1           HA       ARG   1   1.088  -0.982  -3.097
    3    HB2  ARG   1          2HB       ARG   1   1.958   0.963  -0.954
    4    HB3  ARG   1          3HB       ARG   1   2.553   0.990  -2.609
    5    HG2  ARG   1          2HG       ARG   1  -0.083   1.043  -3.087
    6    HG3  ARG   1          3HG       ARG   1  -0.047   1.840  -1.512
    7    HD2  ARG   1          2HD       ARG   1   0.195   3.616  -2.976
    8    HD3  ARG   1          3HD       ARG   1   1.864   3.250  -2.543
    9    HE   ARG   1           HE       ARG   1   1.019   1.854  -4.887
   10   HH11  ARG   1          1HH1      ARG   1   2.183   4.911  -3.697
   11   HH12  ARG   1          2HH1      ARG   1   2.871   5.388  -5.214
   12   HH21  ARG   1          1HH2      ARG   1   1.921   2.470  -6.889
   13   HH22  ARG   1          2HH2      ARG   1   2.720   3.999  -7.030
   14    H    TRP   2           H        TRP   2   2.092  -3.032  -3.034
   15    HA   TRP   2           HA       TRP   2   4.577  -3.204  -1.479
   16    HB2  TRP   2          2HB       TRP   2   2.567  -5.047  -1.811
   17    HB3  TRP   2          3HB       TRP   2   3.758  -5.581  -2.994
   18    HD1  TRP   2           HD1      TRP   2   6.441  -5.224  -1.547
   19    HE1  TRP   2           HE1      TRP   2   7.023  -6.557   0.577
   20    HE3  TRP   2           HE3      TRP   2   1.712  -6.427  -0.022
   21    HZ2  TRP   2           HZ2      TRP   2   5.658  -7.935   2.627
   22    HZ3  TRP   2           HZ3      TRP   2   1.437  -7.755   2.030
   23    HH2  TRP   2           HH2      TRP   2   3.370  -8.493   3.326
   24    H    SER   3           H        SER   3   6.027  -2.064  -2.705
   25    HA   SER   3           HA       SER   3   6.232  -2.385  -5.543
   26    HB2  SER   3          2HB       SER   3   8.299  -1.184  -3.692
   27    HB3  SER   3          3HB       SER   3   8.092  -0.874  -5.416
   28    HG   SER   3           HG       SER   3   7.107   0.561  -3.556
   29    H    ILE   4           H        ILE   4   6.509  -4.628  -5.827
   30    HA   ILE   4           HA       ILE   4   9.190  -5.611  -5.093
   31    HB   ILE   4           HB       ILE   4   8.252  -7.903  -5.135
   32   HG12  ILE   4          2HG1      ILE   4   5.876  -6.422  -6.004
   33   HG13  ILE   4          3HG1      ILE   4   6.294  -8.115  -6.238
   34   HG21  ILE   4          1HG2      ILE   4   8.491  -6.534  -3.047
   35   HG22  ILE   4          2HG2      ILE   4   6.775  -6.153  -3.182
   36   HG23  ILE   4          3HG2      ILE   4   7.292  -7.824  -2.959
   37   HD11  ILE   4          3HD1      ILE   4   4.286  -8.010  -4.971
   38   HD12  ILE   4          1HD1      ILE   4   5.577  -8.538  -3.892
   39   HD13  ILE   4          2HD1      ILE   4   4.999  -6.872  -3.829
   40    H    THR   5           H        THR   5  10.252  -5.129  -6.968
   41    HA   THR   5           HA       THR   5   9.114  -5.783  -9.543
   42    HB   THR   5           HB       THR   5  10.508  -3.785  -9.333
   43    HG1  THR   5           HG1      THR   5  10.490  -4.950 -11.340
   44   HG21  THR   5          3HG2      THR   5  12.705  -3.767  -8.634
   45   HG22  THR   5          1HG2      THR   5  12.962  -5.463  -9.041
   46   HG23  THR   5          2HG2      THR   5  12.038  -5.031  -7.602
   47    H    THR   6           H        THR   6  11.777  -6.952  -7.513
   48    HA   THR   6           HA       THR   6  11.855  -9.389  -9.171
   49    HB   THR   6           HB       THR   6  14.075  -7.747  -8.051
   50    HG1  THR   6           HG1      THR   6  14.978  -8.329 -10.062
   51   HG21  THR   6          3HG2      THR   6  14.225 -10.744  -8.400
   52   HG22  THR   6          1HG2      THR   6  14.367  -9.864  -6.878
   53   HG23  THR   6          2HG2      THR   6  15.602  -9.678  -8.124
   54    H    ILE   7           H        ILE   7  12.181  -8.029  -5.930
   55    HA   ILE   7           HA       ILE   7  12.652 -10.355  -4.487
   56    HB   ILE   7           HB       ILE   7  12.363  -7.780  -3.780
   57   HG12  ILE   7          2HG1      ILE   7  11.829  -9.948  -1.758
   58   HG13  ILE   7          3HG1      ILE   7  13.389  -9.805  -2.561
   59   HG21  ILE   7          1HG2      ILE   7   9.881  -7.971  -4.045
   60   HG22  ILE   7          2HG2      ILE   7   9.882  -9.078  -2.674
   61   HG23  ILE   7          3HG2      ILE   7  10.412  -7.410  -2.460
   62   HD11  ILE   7          3HD1      ILE   7  12.076  -7.905  -0.660
   63   HD12  ILE   7          1HD1      ILE   7  13.661  -8.671  -0.550
   64   HD13  ILE   7          2HD1      ILE   7  13.380  -7.389  -1.729
   65    H    HIS   8           H        HIS   8   9.849  -9.396  -6.188
   66    HA   HIS   8           HA       HIS   8   7.760 -10.518  -4.792
   67    HB2  HIS   8          2HB       HIS   8   7.751  -9.268  -7.048
   68    HB3  HIS   8          3HB       HIS   8   8.007 -10.853  -7.774
   69    HD1  HIS   8           HD1      HIS   8   5.499  -9.604  -8.626
   70    HD2  HIS   8           HD2      HIS   8   5.731 -11.756  -5.079
   71    HE1  HIS   8           HE1      HIS   8   3.138 -10.294  -8.103
   72    H    ASN   9           H        ASN   9  10.380 -12.104  -6.394
   73    HA   ASN   9           HA       ASN   9   9.138 -14.669  -6.623
   74    HB2  ASN   9          2HB       ASN   9  11.898 -13.587  -6.971
   75    HB3  ASN   9          3HB       ASN   9  11.709 -15.325  -6.755
   76   HD21  ASN   9          1HD2      ASN   9  11.172 -16.520  -8.456
   77   HD22  ASN   9          2HD2      ASN   9  10.671 -15.905  -9.991
   78    H    LEU  10           H        LEU  10  11.263 -13.117  -4.267
   79    HA   LEU  10           HA       LEU  10  11.406 -15.490  -2.623
   80    HB2  LEU  10          2HB       LEU  10  13.328 -14.037  -2.733
   81    HB3  LEU  10          3HB       LEU  10  12.364 -12.666  -2.186
   82    HG   LEU  10           HG       LEU  10  12.200 -13.560   0.016
   83   HD11  LEU  10          1HD1      LEU  10  13.141 -15.723   0.640
   84   HD12  LEU  10          2HD1      LEU  10  13.566 -16.030  -1.043
   85   HD13  LEU  10          3HD1      LEU  10  11.871 -15.904  -0.571
   86   HD21  LEU  10          3HD2      LEU  10  14.421 -12.540  -0.876
   87   HD22  LEU  10          1HD2      LEU  10  15.041 -14.178  -0.669
   88   HD23  LEU  10          2HD2      LEU  10  14.384 -13.303   0.714
   89    H    PHE  11           H        PHE  11   9.020 -13.351  -3.174
   90    HA   PHE  11           HA       PHE  11   8.041 -13.458  -0.397
   91    HB2  PHE  11          2HB       PHE  11   7.830 -11.366  -2.509
   92    HB3  PHE  11          3HB       PHE  11   6.473 -11.559  -1.404
   93    HD1  PHE  11           HD1      PHE  11  10.149 -11.035  -1.477
   94    HD2  PHE  11           HD2      PHE  11   6.517 -10.558   0.689
   95    HE1  PHE  11           HE1      PHE  11  11.332  -9.678   0.200
   96    HE2  PHE  11           HE2      PHE  11   7.693  -9.200   2.370
   97    HZ   PHE  11           HZ       PHE  11  10.104  -8.758   2.126
   98    H    ARG  12           H        ARG  12   7.099 -13.694  -3.803
   99    HA   ARG  12           HA       ARG  12   4.443 -14.278  -3.634
  100    HB2  ARG  12          2HB       ARG  12   4.698 -15.604  -5.677
  101    HB3  ARG  12          3HB       ARG  12   5.654 -14.130  -5.755
  102    HG2  ARG  12          2HG       ARG  12   7.661 -15.417  -5.170
  103    HG3  ARG  12          3HG       ARG  12   6.690 -16.890  -5.148
  104    HD2  ARG  12          2HD       ARG  12   7.354 -15.123  -7.487
  105    HD3  ARG  12          3HD       ARG  12   7.731 -16.831  -7.265
  106    HE   ARG  12           HE       ARG  12   5.027 -16.786  -7.227
  107   HH11  ARG  12          1HH1      ARG  12   7.412 -15.532  -9.432
  108   HH12  ARG  12          2HH1      ARG  12   6.398 -15.696 -10.827
  109   HH21  ARG  12          1HH2      ARG  12   3.683 -17.006  -9.057
  110   HH22  ARG  12          2HH2      ARG  12   4.276 -16.534 -10.612
  111    H    LYS  13           H        LYS  13   7.112 -16.285  -2.657
  112    HA   LYS  13           HA       LYS  13   5.266 -18.495  -2.060
  113    HB2  LYS  13          2HB       LYS  13   8.262 -18.400  -2.391
  114    HB3  LYS  13          3HB       LYS  13   7.431 -19.792  -1.709
  115    HG2  LYS  13          2HG       LYS  13   6.444 -20.356  -3.713
  116    HG3  LYS  13          3HG       LYS  13   6.585 -18.720  -4.362
  117    HD2  LYS  13          2HD       LYS  13   8.362 -19.488  -5.481
  118    HD3  LYS  13          3HD       LYS  13   9.205 -19.441  -3.931
  119    HE2  LYS  13          2HE       LYS  13   7.770 -21.801  -5.143
  120    HE3  LYS  13          3HE       LYS  13   9.512 -21.606  -4.957
  121    HZ1  LYS  13          3HZ       LYS  13   7.479 -22.087  -2.873
  122    HZ2  LYS  13          1HZ       LYS  13   8.975 -21.403  -2.479
  123    HZ3  LYS  13          2HZ       LYS  13   8.907 -22.941  -3.180
  124    H    LEU  14           H        LEU  14   7.735 -16.405  -0.648
  125    HA   LEU  14           HA       LEU  14   7.742 -17.548   1.927
  126    HB2  LEU  14          2HB       LEU  14   9.529 -16.111   1.256
  127    HB3  LEU  14          3HB       LEU  14   8.415 -14.778   0.959
  128    HG   LEU  14           HG       LEU  14   9.898 -14.756   3.081
  129   HD11  LEU  14          1HD1      LEU  14   7.010 -14.298   3.672
  130   HD12  LEU  14          2HD1      LEU  14   7.806 -13.350   2.416
  131   HD13  LEU  14          3HD1      LEU  14   8.413 -13.306   4.071
  132   HD21  LEU  14          3HD2      LEU  14   9.370 -16.073   4.851
  133   HD22  LEU  14          1HD2      LEU  14   8.871 -17.170   3.563
  134   HD23  LEU  14          2HD2      LEU  14   7.668 -16.189   4.401
  135    H    THR  15           H        THR  15   6.027 -14.699   0.653
  136    HA   THR  15           HA       THR  15   4.321 -14.714   3.043
  137    HB   THR  15           HB       THR  15   5.376 -12.565   2.504
  138    HG1  THR  15           HG1      THR  15   3.579 -11.515   3.014
  139   HG21  THR  15          3HG2      THR  15   4.456 -11.350   0.456
  140   HG22  THR  15          1HG2      THR  15   3.952 -12.938  -0.121
  141   HG23  THR  15          2HG2      THR  15   5.661 -12.605   0.164
  142    H    HIS  16           H        HIS  16   4.029 -16.666   0.902
  143    HA   HIS  16           HA       HIS  16   2.060 -16.166  -0.948
  144    HB2  HIS  16          2HB       HIS  16   1.567 -18.539  -0.912
  145    HB3  HIS  16          3HB       HIS  16   3.303 -18.305  -0.733
  146    HD1  HIS  16           HD1      HIS  16   0.625 -20.199   0.645
  147    HD2  HIS  16           HD2      HIS  16   4.021 -18.383   2.204
  148    HE1  HIS  16           HE1      HIS  16   1.027 -21.317   2.862
  149    H    ARG  17           H        ARG  17   1.756 -16.489   2.501
  150    HA   ARG  17           HA       ARG  17  -0.964 -17.056   2.735
  151    HB2  ARG  17          2HB       ARG  17   0.804 -15.381   4.525
  152    HB3  ARG  17          3HB       ARG  17  -0.798 -15.959   4.963
  153    HG2  ARG  17          2HG       ARG  17  -0.104 -18.149   5.154
  154    HG3  ARG  17          3HG       ARG  17   1.294 -17.905   4.105
  155    HD2  ARG  17          2HD       ARG  17   1.794 -16.178   6.174
  156    HD3  ARG  17          3HD       ARG  17   1.019 -17.536   6.990
  157    HE   ARG  17           HE       ARG  17   3.641 -17.480   5.893
  158   HH11  ARG  17          1HH1      ARG  17   0.899 -19.554   6.435
  159   HH12  ARG  17          2HH1      ARG  17   1.842 -21.007   6.480
  160   HH21  ARG  17          1HH2      ARG  17   4.894 -19.386   5.949
  161   HH22  ARG  17          2HH2      ARG  17   4.114 -20.910   6.204
  162    H    LEU  18           H        LEU  18   0.678 -14.103   1.908
  163    HA   LEU  18           HA       LEU  18  -1.837 -12.600   2.060
  164    HB2  LEU  18          2HB       LEU  18   0.884 -11.483   1.450
  165    HB3  LEU  18          3HB       LEU  18  -0.554 -10.615   1.984
  166    HG   LEU  18           HG       LEU  18   1.301 -12.341   3.597
  167   HD11  LEU  18          1HD1      LEU  18   1.937 -10.034   3.431
  168   HD12  LEU  18          2HD1      LEU  18   1.296 -10.327   5.047
  169   HD13  LEU  18          3HD1      LEU  18   0.304  -9.508   3.840
  170   HD21  LEU  18          3HD2      LEU  18  -0.637 -13.155   4.489
  171   HD22  LEU  18          1HD2      LEU  18  -1.568 -11.719   4.065
  172   HD23  LEU  18          2HD2      LEU  18  -0.467 -11.680   5.442
  173    H    PHE  19           H        PHE  19   0.739 -13.530  -0.167
  174    HA   PHE  19           HA       PHE  19  -0.718 -12.340  -2.404
  175    HB2  PHE  19          2HB       PHE  19   2.072 -13.281  -1.962
  176    HB3  PHE  19          3HB       PHE  19   1.434 -13.379  -3.601
  177    HD1  PHE  19           HD1      PHE  19   1.242 -10.884  -0.827
  178    HD2  PHE  19           HD2      PHE  19   2.118 -11.644  -4.922
  179    HE1  PHE  19           HE1      PHE  19   1.744  -8.498  -1.159
  180    HE2  PHE  19           HE2      PHE  19   2.622  -9.260  -5.261
  181    HZ   PHE  19           HZ       PHE  19   2.436  -7.683  -3.378
  182    H    ARG  20           H        ARG  20  -1.840 -14.617  -1.058
  183    HA   ARG  20           HA       ARG  20  -1.344 -17.042  -2.380
  184    HB2  ARG  20          2HB       ARG  20  -3.503 -17.767  -1.504
  185    HB3  ARG  20          3HB       ARG  20  -2.601 -16.888  -0.276
  186    HG2  ARG  20          2HG       ARG  20  -4.070 -14.901  -1.442
  187    HG3  ARG  20          3HG       ARG  20  -5.169 -16.280  -1.516
  188    HD2  ARG  20          2HD       ARG  20  -5.195 -16.538   0.798
  189    HD3  ARG  20          3HD       ARG  20  -3.703 -15.623   1.011
  190    HE   ARG  20           HE       ARG  20  -5.521 -13.847  -0.041
  191   HH11  ARG  20          1HH1      ARG  20  -5.302 -15.852   2.796
  192   HH12  ARG  20          2HH1      ARG  20  -6.243 -14.784   3.784
  193   HH21  ARG  20          1HH2      ARG  20  -6.762 -12.432   1.248
  194   HH22  ARG  20          2HH2      ARG  20  -7.074 -12.840   2.902
  195    H    ARG  21           H        ARG  21  -3.248 -14.261  -3.263
  196    HA   ARG  21           HA       ARG  21  -4.853 -15.459  -5.248
  197    HB2  ARG  21          2HB       ARG  21  -5.292 -13.214  -6.022
  198    HB3  ARG  21          3HB       ARG  21  -5.273 -13.220  -4.264
  199    HG2  ARG  21          2HG       ARG  21  -2.701 -12.600  -4.762
  200    HG3  ARG  21          3HG       ARG  21  -3.481 -11.884  -6.173
  201    HD2  ARG  21          2HD       ARG  21  -4.159 -11.358  -3.282
  202    HD3  ARG  21          3HD       ARG  21  -3.330 -10.257  -4.382
  203    HE   ARG  21           HE       ARG  21  -6.148 -10.707  -4.195
  204   HH11  ARG  21          1HH1      ARG  21  -3.569  -9.810  -6.355
  205   HH12  ARG  21          2HH1      ARG  21  -4.599  -8.917  -7.424
  206   HH21  ARG  21          1HH2      ARG  21  -7.515  -9.534  -5.595
  207   HH22  ARG  21          2HH2      ARG  21  -6.843  -8.760  -6.991
  Start of MODEL    9
    1    H1   ARG   1           H        ARG   1   3.113   1.676  -0.109
    2    HA   ARG   1           HA       ARG   1   1.583  -0.551  -1.279
    3    HB2  ARG   1          2HB       ARG   1   2.561   1.928  -2.382
    4    HB3  ARG   1          3HB       ARG   1   3.250   0.564  -3.252
    5    HG2  ARG   1          2HG       ARG   1   1.109  -0.258  -3.842
    6    HG3  ARG   1          3HG       ARG   1   0.305   0.853  -2.732
    7    HD2  ARG   1          2HD       ARG   1   0.182   2.393  -4.325
    8    HD3  ARG   1          3HD       ARG   1   1.935   2.360  -4.518
    9    HE   ARG   1           HE       ARG   1   1.122   0.194  -5.915
   10   HH11  ARG   1          1HH1      ARG   1   0.177   3.544  -5.941
   11   HH12  ARG   1          2HH1      ARG   1  -0.248   3.547  -7.621
   12   HH21  ARG   1          1HH2      ARG   1   0.566   0.184  -8.127
   13   HH22  ARG   1          2HH2      ARG   1  -0.027   1.634  -8.863
   14    H    TRP   2           H        TRP   2   2.608  -2.396  -1.881
   15    HA   TRP   2           HA       TRP   2   5.240  -2.849  -0.807
   16    HB2  TRP   2          2HB       TRP   2   3.032  -4.445  -1.245
   17    HB3  TRP   2          3HB       TRP   2   4.146  -4.966  -2.506
   18    HD1  TRP   2           HD1      TRP   2   6.878  -4.984  -1.089
   19    HE1  TRP   2           HE1      TRP   2   7.368  -6.577   0.873
   20    HE3  TRP   2           HE3      TRP   2   2.081  -5.937   0.402
   21    HZ2  TRP   2           HZ2      TRP   2   5.914  -8.044   2.797
   22    HZ3  TRP   2           HZ3      TRP   2   1.717  -7.446   2.311
   23    HH2  TRP   2           HH2      TRP   2   3.596  -8.477   3.482
   24    H    SER   3           H        SER   3   6.844  -1.897  -1.939
   25    HA   SER   3           HA       SER   3   6.854  -2.034  -4.848
   26    HB2  SER   3          2HB       SER   3   9.186  -0.794  -4.231
   27    HB3  SER   3          3HB       SER   3   7.645   0.049  -4.392
   28    HG   SER   3           HG       SER   3   9.168  -0.414  -2.162
   29    H    ILE   4           H        ILE   4   7.202  -4.257  -5.158
   30    HA   ILE   4           HA       ILE   4   9.900  -5.190  -4.420
   31    HB   ILE   4           HB       ILE   4   8.943  -7.514  -4.706
   32   HG12  ILE   4          2HG1      ILE   4   6.826  -6.387  -5.841
   33   HG13  ILE   4          3HG1      ILE   4   6.688  -7.891  -4.938
   34   HG21  ILE   4          1HG2      ILE   4   9.424  -6.587  -2.518
   35   HG22  ILE   4          2HG2      ILE   4   7.855  -5.783  -2.491
   36   HG23  ILE   4          3HG2      ILE   4   7.943  -7.544  -2.459
   37   HD11  ILE   4          3HD1      ILE   4   5.667  -6.865  -3.140
   38   HD12  ILE   4          1HD1      ILE   4   6.280  -5.269  -3.571
   39   HD13  ILE   4          2HD1      ILE   4   4.987  -6.003  -4.520
   40    H    THR   5           H        THR   5  10.960  -4.518  -6.260
   41    HA   THR   5           HA       THR   5  10.083  -4.681  -8.884
   42    HB   THR   5           HB       THR   5  12.016  -3.476  -8.803
   43    HG1  THR   5           HG1      THR   5  12.341  -5.167 -10.365
   44   HG21  THR   5          3HG2      THR   5  12.908  -3.587  -6.722
   45   HG22  THR   5          1HG2      THR   5  14.071  -4.648  -7.516
   46   HG23  THR   5          2HG2      THR   5  12.718  -5.337  -6.618
   47    H    THR   6           H        THR   6  12.632  -6.846  -7.689
   48    HA   THR   6           HA       THR   6  11.422  -9.004  -9.288
   49    HB   THR   6           HB       THR   6  14.243  -8.219  -8.787
   50    HG1  THR   6           HG1      THR   6  13.101  -7.988 -10.830
   51   HG21  THR   6          3HG2      THR   6  13.329 -11.082  -9.038
   52   HG22  THR   6          1HG2      THR   6  14.305 -10.373  -7.752
   53   HG23  THR   6          2HG2      THR   6  14.977 -10.551  -9.373
   54    H    ILE   7           H        ILE   7  12.662  -8.106  -6.154
   55    HA   ILE   7           HA       ILE   7  12.978 -10.548  -4.914
   56    HB   ILE   7           HB       ILE   7  13.277  -8.137  -3.982
   57   HG12  ILE   7          2HG1      ILE   7  12.172 -10.160  -2.043
   58   HG13  ILE   7          3HG1      ILE   7  13.707 -10.417  -2.865
   59   HG21  ILE   7          1HG2      ILE   7  10.856  -7.593  -4.206
   60   HG22  ILE   7          2HG2      ILE   7  10.528  -8.746  -2.913
   61   HG23  ILE   7          3HG2      ILE   7  11.509  -7.316  -2.591
   62   HD11  ILE   7          3HD1      ILE   7  13.018  -8.136  -1.029
   63   HD12  ILE   7          1HD1      ILE   7  14.085  -9.495  -0.676
   64   HD13  ILE   7          2HD1      ILE   7  14.539  -8.312  -1.903
   65    H    HIS   8           H        HIS   8  10.083  -9.086  -6.054
   66    HA   HIS   8           HA       HIS   8   8.101 -10.084  -4.450
   67    HB2  HIS   8          2HB       HIS   8   7.835  -8.649  -6.518
   68    HB3  HIS   8          3HB       HIS   8   7.954 -10.129  -7.466
   69    HD1  HIS   8           HD1      HIS   8   5.443  -9.043  -8.090
   70    HD2  HIS   8           HD2      HIS   8   5.918 -11.006  -4.459
   71    HE1  HIS   8           HE1      HIS   8   3.120  -9.661  -7.351
   72    H    ASN   9           H        ASN   9  10.176 -11.829  -6.625
   73    HA   ASN   9           HA       ASN   9   8.633 -14.195  -6.834
   74    HB2  ASN   9          2HB       ASN   9  11.487 -13.468  -7.349
   75    HB3  ASN   9          3HB       ASN   9  11.044 -15.172  -7.291
   76   HD21  ASN   9          1HD2      ASN   9   9.444 -12.272  -8.563
   77   HD22  ASN   9          2HD2      ASN   9   9.216 -12.892 -10.159
   78    H    LEU  10           H        LEU  10  11.172 -13.153  -4.606
   79    HA   LEU  10           HA       LEU  10  11.241 -15.642  -3.188
   80    HB2  LEU  10          2HB       LEU  10  13.213 -14.292  -3.221
   81    HB3  LEU  10          3HB       LEU  10  12.338 -12.907  -2.569
   82    HG   LEU  10           HG       LEU  10  12.150 -13.971  -0.419
   83   HD11  LEU  10          1HD1      LEU  10  11.861 -16.275  -1.221
   84   HD12  LEU  10          2HD1      LEU  10  13.083 -16.157   0.044
   85   HD13  LEU  10          3HD1      LEU  10  13.573 -16.332  -1.641
   86   HD21  LEU  10          3HD2      LEU  10  14.986 -14.417  -1.302
   87   HD22  LEU  10          1HD2      LEU  10  14.393 -13.858   0.262
   88   HD23  LEU  10          2HD2      LEU  10  14.295 -12.802  -1.148
   89    H    PHE  11           H        PHE  11   8.992 -13.224  -3.309
   90    HA   PHE  11           HA       PHE  11   8.153 -13.621  -0.518
   91    HB2  PHE  11          2HB       PHE  11   7.750 -11.394  -2.479
   92    HB3  PHE  11          3HB       PHE  11   6.572 -11.633  -1.192
   93    HD1  PHE  11           HD1      PHE  11   7.272 -11.438   1.172
   94    HD2  PHE  11           HD2      PHE  11   9.883 -10.464  -2.045
   95    HE1  PHE  11           HE1      PHE  11   8.717 -10.193   2.726
   96    HE2  PHE  11           HE2      PHE  11  11.333  -9.218  -0.496
   97    HZ   PHE  11           HZ       PHE  11  10.751  -9.081   1.893
   98    H    ARG  12           H        ARG  12   6.978 -13.609  -3.858
   99    HA   ARG  12           HA       ARG  12   4.326 -14.185  -3.518
  100    HB2  ARG  12          2HB       ARG  12   4.322 -15.098  -5.707
  101    HB3  ARG  12          3HB       ARG  12   5.578 -13.868  -5.695
  102    HG2  ARG  12          2HG       ARG  12   6.724 -15.513  -6.740
  103    HG3  ARG  12          3HG       ARG  12   7.083 -15.967  -5.073
  104    HD2  ARG  12          2HD       ARG  12   5.949 -17.883  -5.248
  105    HD3  ARG  12          3HD       ARG  12   4.577 -17.091  -6.022
  106    HE   ARG  12           HE       ARG  12   6.826 -17.424  -7.770
  107   HH11  ARG  12          1HH1      ARG  12   3.996 -18.961  -6.445
  108   HH12  ARG  12          2HH1      ARG  12   3.819 -20.068  -7.766
  109   HH21  ARG  12          1HH2      ARG  12   6.603 -18.877  -9.515
  110   HH22  ARG  12          2HH2      ARG  12   5.303 -20.020  -9.511
  111    H    LYS  13           H        LYS  13   7.046 -16.237  -2.884
  112    HA   LYS  13           HA       LYS  13   5.266 -18.530  -2.421
  113    HB2  LYS  13          2HB       LYS  13   7.508 -18.549  -3.850
  114    HB3  LYS  13          3HB       LYS  13   8.233 -18.783  -2.265
  115    HG2  LYS  13          2HG       LYS  13   6.467 -20.674  -2.027
  116    HG3  LYS  13          3HG       LYS  13   6.393 -20.572  -3.788
  117    HD2  LYS  13          2HD       LYS  13   8.440 -21.486  -4.052
  118    HD3  LYS  13          3HD       LYS  13   9.105 -20.655  -2.643
  119    HE2  LYS  13          2HE       LYS  13   7.736 -22.274  -1.239
  120    HE3  LYS  13          3HE       LYS  13   7.484 -23.188  -2.725
  121    HZ1  LYS  13          3HZ       LYS  13   9.885 -23.408  -2.946
  122    HZ2  LYS  13          1HZ       LYS  13   9.353 -24.054  -1.476
  123    HZ3  LYS  13          2HZ       LYS  13  10.117 -22.546  -1.509
  124    H    LEU  14           H        LEU  14   7.747 -16.527  -0.905
  125    HA   LEU  14           HA       LEU  14   7.810 -17.903   1.565
  126    HB2  LEU  14          2HB       LEU  14   9.631 -16.490   1.029
  127    HB3  LEU  14          3HB       LEU  14   8.570 -15.110   0.755
  128    HG   LEU  14           HG       LEU  14   8.767 -16.327   3.482
  129   HD11  LEU  14          1HD1      LEU  14  11.077 -15.923   2.664
  130   HD12  LEU  14          2HD1      LEU  14  10.622 -14.917   4.039
  131   HD13  LEU  14          3HD1      LEU  14  10.649 -14.231   2.414
  132   HD21  LEU  14          3HD2      LEU  14   7.126 -14.737   3.525
  133   HD22  LEU  14          1HD2      LEU  14   7.878 -13.765   2.259
  134   HD23  LEU  14          2HD2      LEU  14   8.529 -13.734   3.898
  135    H    THR  15           H        THR  15   6.153 -14.908   0.581
  136    HA   THR  15           HA       THR  15   4.505 -15.076   3.003
  137    HB   THR  15           HB       THR  15   5.604 -12.918   2.610
  138    HG1  THR  15           HG1      THR  15   2.895 -12.412   2.056
  139   HG21  THR  15          3HG2      THR  15   4.670 -11.519   0.690
  140   HG22  THR  15          1HG2      THR  15   4.108 -13.042   0.002
  141   HG23  THR  15          2HG2      THR  15   5.831 -12.777   0.267
  142    H    HIS  16           H        HIS  16   4.208 -16.705   0.486
  143    HA   HIS  16           HA       HIS  16   2.059 -15.924  -1.068
  144    HB2  HIS  16          2HB       HIS  16   3.575 -18.033  -1.210
  145    HB3  HIS  16          3HB       HIS  16   2.354 -18.779  -0.183
  146    HD1  HIS  16           HD1      HIS  16   1.387 -16.359  -2.876
  147    HD2  HIS  16           HD2      HIS  16   1.441 -20.460  -2.210
  148    HE1  HIS  16           HE1      HIS  16   0.045 -17.362  -4.751
  149    H    ARG  17           H        ARG  17   2.108 -16.861   2.238
  150    HA   ARG  17           HA       ARG  17  -0.589 -17.715   2.479
  151    HB2  ARG  17          2HB       ARG  17  -0.249 -17.419   4.896
  152    HB3  ARG  17          3HB       ARG  17   1.081 -18.299   4.155
  153    HG2  ARG  17          2HG       ARG  17   2.370 -16.886   5.308
  154    HG3  ARG  17          3HG       ARG  17   1.994 -15.747   4.013
  155    HD2  ARG  17          2HD       ARG  17   0.161 -14.835   5.308
  156    HD3  ARG  17          3HD       ARG  17   0.432 -16.028   6.578
  157    HE   ARG  17           HE       ARG  17   1.919 -13.607   6.122
  158   HH11  ARG  17          1HH1      ARG  17   1.961 -16.782   7.549
  159   HH12  ARG  17          2HH1      ARG  17   3.189 -16.388   8.706
  160   HH21  ARG  17          1HH2      ARG  17   3.537 -13.076   7.640
  161   HH22  ARG  17          2HH2      ARG  17   4.084 -14.280   8.757
  162    H    LEU  18           H        LEU  18   0.943 -14.615   2.348
  163    HA   LEU  18           HA       LEU  18  -1.582 -13.308   3.110
  164    HB2  LEU  18          2HB       LEU  18  -0.038 -12.376   4.517
  165    HB3  LEU  18          3HB       LEU  18   1.278 -12.543   3.357
  166    HG   LEU  18           HG       LEU  18   0.371 -10.629   2.093
  167   HD11  LEU  18          1HD1      LEU  18  -1.587  -9.638   2.535
  168   HD12  LEU  18          2HD1      LEU  18  -1.361  -9.742   4.281
  169   HD13  LEU  18          3HD1      LEU  18  -1.968 -11.135   3.386
  170   HD21  LEU  18          3HD2      LEU  18   1.761  -9.404   3.311
  171   HD22  LEU  18          1HD2      LEU  18   1.678 -10.607   4.598
  172   HD23  LEU  18          2HD2      LEU  18   0.548  -9.252   4.583
  173    H    PHE  19           H        PHE  19   1.000 -13.357   0.699
  174    HA   PHE  19           HA       PHE  19  -0.525 -11.552  -1.019
  175    HB2  PHE  19          2HB       PHE  19   2.236 -12.010  -0.605
  176    HB3  PHE  19          3HB       PHE  19   1.881 -12.519  -2.252
  177    HD1  PHE  19           HD1      PHE  19  -0.113 -10.674  -3.171
  178    HD2  PHE  19           HD2      PHE  19   3.262  -9.957  -0.679
  179    HE1  PHE  19           HE1      PHE  19  -0.074  -8.326  -3.905
  180    HE2  PHE  19           HE2      PHE  19   3.306  -7.608  -1.408
  181    HZ   PHE  19           HZ       PHE  19   1.636  -6.789  -3.023
  182    H    ARG  20           H        ARG  20  -1.456 -14.262  -0.464
  183    HA   ARG  20           HA       ARG  20  -0.938 -16.123  -2.432
  184    HB2  ARG  20          2HB       ARG  20  -2.321 -16.765  -0.614
  185    HB3  ARG  20          3HB       ARG  20  -3.475 -15.479  -0.941
  186    HG2  ARG  20          2HG       ARG  20  -3.056 -17.469  -3.086
  187    HG3  ARG  20          3HG       ARG  20  -3.893 -18.016  -1.632
  188    HD2  ARG  20          2HD       ARG  20  -4.959 -15.489  -2.344
  189    HD3  ARG  20          3HD       ARG  20  -4.902 -16.477  -3.804
  190    HE   ARG  20           HE       ARG  20  -6.609 -16.849  -1.526
  191   HH11  ARG  20          1HH1      ARG  20  -5.061 -18.419  -4.220
  192   HH12  ARG  20          2HH1      ARG  20  -6.212 -19.712  -4.296
  193   HH21  ARG  20          1HH2      ARG  20  -8.130 -18.546  -1.615
  194   HH22  ARG  20          2HH2      ARG  20  -7.958 -19.783  -2.814
  195    H    ARG  21           H        ARG  21  -2.817 -13.189  -2.619
  196    HA   ARG  21           HA       ARG  21  -4.197 -13.765  -5.021
  197    HB2  ARG  21          2HB       ARG  21  -3.405 -11.081  -3.874
  198    HB3  ARG  21          3HB       ARG  21  -4.604 -11.347  -5.133
  199    HG2  ARG  21          2HG       ARG  21  -4.819 -12.500  -2.364
  200    HG3  ARG  21          3HG       ARG  21  -5.528 -10.957  -2.844
  201    HD2  ARG  21          2HD       ARG  21  -6.645 -12.300  -4.733
  202    HD3  ARG  21          3HD       ARG  21  -6.217 -13.722  -3.782
  203    HE   ARG  21           HE       ARG  21  -7.868 -13.181  -2.285
  204   HH11  ARG  21          1HH1      ARG  21  -7.263 -10.461  -4.372
  205   HH12  ARG  21          2HH1      ARG  21  -8.628  -9.556  -3.805
  206   HH21  ARG  21          1HH2      ARG  21  -9.668 -12.000  -1.530
  207   HH22  ARG  21          2HH2      ARG  21  -9.994 -10.432  -2.188
  Start of MODEL   10
    1    H1   ARG   1           H        ARG   1   1.108  -0.621  -0.857
    2    HA   ARG   1           HA       ARG   1   1.547  -0.336  -3.728
    3    HB2  ARG   1          2HB       ARG   1   2.618   1.619  -1.684
    4    HB3  ARG   1          3HB       ARG   1   3.088   1.569  -3.378
    5    HG2  ARG   1          2HG       ARG   1   0.235   1.714  -3.170
    6    HG3  ARG   1          3HG       ARG   1   0.979   3.000  -2.218
    7    HD2  ARG   1          2HD       ARG   1   0.826   3.999  -4.285
    8    HD3  ARG   1          3HD       ARG   1   2.455   3.327  -4.344
    9    HE   ARG   1           HE       ARG   1   0.432   1.572  -5.392
   10   HH11  ARG   1          1HH1      ARG   1   2.623   4.180  -6.112
   11   HH12  ARG   1          2HH1      ARG   1   2.688   3.831  -7.808
   12   HH21  ARG   1          1HH2      ARG   1   0.509   1.102  -7.623
   13   HH22  ARG   1          2HH2      ARG   1   1.484   2.080  -8.666
   14    H    TRP   2           H        TRP   2   2.250  -2.569  -3.219
   15    HA   TRP   2           HA       TRP   2   4.700  -2.858  -1.704
   16    HB2  TRP   2          2HB       TRP   2   2.607  -4.561  -2.324
   17    HB3  TRP   2          3HB       TRP   2   3.920  -5.145  -3.343
   18    HD1  TRP   2           HD1      TRP   2   6.395  -4.978  -1.552
   19    HE1  TRP   2           HE1      TRP   2   6.607  -6.359   0.610
   20    HE3  TRP   2           HE3      TRP   2   1.440  -5.883  -0.677
   21    HZ2  TRP   2           HZ2      TRP   2   4.900  -7.660   2.444
   22    HZ3  TRP   2           HZ3      TRP   2   0.814  -7.204   1.302
   23    HH2  TRP   2           HH2      TRP   2   2.509  -8.073   2.829
   24    H    SER   3           H        SER   3   6.323  -1.789  -2.759
   25    HA   SER   3           HA       SER   3   6.737  -2.015  -5.583
   26    HB2  SER   3          2HB       SER   3   8.713  -1.031  -3.517
   27    HB3  SER   3          3HB       SER   3   8.688  -0.654  -5.239
   28    HG   SER   3           HG       SER   3   6.749   0.104  -3.308
   29    H    ILE   4           H        ILE   4   6.823  -4.309  -5.839
   30    HA   ILE   4           HA       ILE   4   9.412  -5.466  -5.032
   31    HB   ILE   4           HB       ILE   4   8.328  -7.690  -5.090
   32   HG12  ILE   4          2HG1      ILE   4   6.033  -6.035  -5.941
   33   HG13  ILE   4          3HG1      ILE   4   6.417  -7.710  -6.321
   34   HG21  ILE   4          1HG2      ILE   4   8.586  -6.296  -3.005
   35   HG22  ILE   4          2HG2      ILE   4   6.887  -5.861  -3.186
   36   HG23  ILE   4          3HG2      ILE   4   7.345  -7.547  -2.939
   37   HD11  ILE   4          3HD1      ILE   4   5.668  -8.309  -4.013
   38   HD12  ILE   4          1HD1      ILE   4   5.099  -6.649  -3.840
   39   HD13  ILE   4          2HD1      ILE   4   4.402  -7.696  -5.077
   40    H    THR   5           H        THR   5  10.531  -5.022  -6.893
   41    HA   THR   5           HA       THR   5   9.417  -5.643  -9.487
   42    HB   THR   5           HB       THR   5  10.893  -3.707  -9.264
   43    HG1  THR   5           HG1      THR   5  12.377  -4.340 -10.988
   44   HG21  THR   5          3HG2      THR   5  13.264  -5.486  -8.901
   45   HG22  THR   5          1HG2      THR   5  12.328  -5.003  -7.487
   46   HG23  THR   5          2HG2      THR   5  13.072  -3.777  -8.514
   47    H    THR   6           H        THR   6  11.991  -6.911  -7.400
   48    HA   THR   6           HA       THR   6  11.975  -9.370  -9.026
   49    HB   THR   6           HB       THR   6  14.262  -7.796  -7.952
   50    HG1  THR   6           HG1      THR   6  13.723  -9.371 -10.259
   51   HG21  THR   6          3HG2      THR   6  14.265 -10.809  -8.164
   52   HG22  THR   6          1HG2      THR   6  14.498  -9.858  -6.698
   53   HG23  THR   6          2HG2      THR   6  15.705  -9.807  -7.983
   54    H    ILE   7           H        ILE   7  12.294  -7.958  -5.815
   55    HA   ILE   7           HA       ILE   7  12.710 -10.253  -4.309
   56    HB   ILE   7           HB       ILE   7  12.438  -7.664  -3.665
   57   HG12  ILE   7          2HG1      ILE   7  11.825  -9.789  -1.618
   58   HG13  ILE   7          3HG1      ILE   7  13.410  -9.658  -2.371
   59   HG21  ILE   7          1HG2      ILE   7   9.955  -7.842  -3.993
   60   HG22  ILE   7          2HG2      ILE   7   9.915  -8.891  -2.576
   61   HG23  ILE   7          3HG2      ILE   7  10.460  -7.221  -2.422
   62   HD11  ILE   7          3HD1      ILE   7  13.759  -7.503  -1.446
   63   HD12  ILE   7          1HD1      ILE   7  12.085  -7.399  -0.902
   64   HD13  ILE   7          2HD1      ILE   7  13.188  -8.550  -0.147
   65    H    HIS   8           H        HIS   8   9.930  -9.274  -6.056
   66    HA   HIS   8           HA       HIS   8   7.833 -10.403  -4.659
   67    HB2  HIS   8          2HB       HIS   8   7.923  -9.124  -6.957
   68    HB3  HIS   8          3HB       HIS   8   7.960 -10.751  -7.629
   69    HD1  HIS   8           HD1      HIS   8   5.570  -9.045  -8.280
   70    HD2  HIS   8           HD2      HIS   8   5.736 -11.502  -4.934
   71    HE1  HIS   8           HE1      HIS   8   3.175  -9.493  -7.655
   72    H    ASN   9           H        ASN   9  10.454 -11.961  -6.259
   73    HA   ASN   9           HA       ASN   9   9.203 -14.508  -6.603
   74    HB2  ASN   9          2HB       ASN   9  12.012 -13.479  -6.773
   75    HB3  ASN   9          3HB       ASN   9  11.730 -15.216  -6.726
   76   HD21  ASN   9          1HD2      ASN   9  10.094 -16.019  -8.318
   77   HD22  ASN   9          2HD2      ASN   9  10.128 -15.322  -9.898
   78    H    LEU  10           H        LEU  10  11.315 -13.076  -4.152
   79    HA   LEU  10           HA       LEU  10  11.363 -15.492  -2.574
   80    HB2  LEU  10          2HB       LEU  10  13.313 -14.096  -2.564
   81    HB3  LEU  10          3HB       LEU  10  12.364 -12.699  -2.057
   82    HG   LEU  10           HG       LEU  10  12.052 -13.627   0.132
   83   HD11  LEU  10          1HD1      LEU  10  13.534 -16.058  -0.860
   84   HD12  LEU  10          2HD1      LEU  10  11.806 -15.973  -0.523
   85   HD13  LEU  10          3HD1      LEU  10  12.969 -15.779   0.787
   86   HD21  LEU  10          3HD2      LEU  10  14.442 -13.864   0.854
   87   HD22  LEU  10          1HD2      LEU  10  14.091 -12.422  -0.098
   88   HD23  LEU  10          2HD2      LEU  10  14.895 -13.801  -0.850
   89    H    PHE  11           H        PHE  11   9.082 -13.176  -3.085
   90    HA   PHE  11           HA       PHE  11   8.022 -13.362  -0.345
   91    HB2  PHE  11          2HB       PHE  11   7.856 -11.268  -2.459
   92    HB3  PHE  11          3HB       PHE  11   6.470 -11.463  -1.390
   93    HD1  PHE  11           HD2      PHE  11  10.128 -10.863  -1.410
   94    HD2  PHE  11           HD1      PHE  11   6.475 -10.540   0.751
   95    HE1  PHE  11           HE2      PHE  11  11.263  -9.507   0.300
   96    HE2  PHE  11           HE1      PHE  11   7.605  -9.183   2.464
   97    HZ   PHE  11           HZ       PHE  11  10.002  -8.666   2.241
   98    H    ARG  12           H        ARG  12   7.052 -13.480  -3.761
   99    HA   ARG  12           HA       ARG  12   4.418 -14.115  -3.597
  100    HB2  ARG  12          2HB       ARG  12   4.660 -15.348  -5.687
  101    HB3  ARG  12          3HB       ARG  12   5.643 -13.891  -5.715
  102    HG2  ARG  12          2HG       ARG  12   7.620 -15.262  -5.143
  103    HG3  ARG  12          3HG       ARG  12   6.607 -16.704  -5.250
  104    HD2  ARG  12          2HD       ARG  12   7.369 -14.790  -7.440
  105    HD3  ARG  12          3HD       ARG  12   7.706 -16.517  -7.333
  106    HE   ARG  12           HE       ARG  12   5.281 -15.274  -8.260
  107   HH11  ARG  12          1HH1      ARG  12   6.706 -18.161  -6.934
  108   HH12  ARG  12          2HH1      ARG  12   5.475 -19.210  -7.556
  109   HH21  ARG  12          1HH2      ARG  12   3.655 -16.645  -9.083
  110   HH22  ARG  12          2HH2      ARG  12   3.741 -18.347  -8.778
  111    H    LYS  13           H        LYS  13   7.114 -16.138  -2.717
  112    HA   LYS  13           HA       LYS  13   5.323 -18.411  -2.238
  113    HB2  LYS  13          2HB       LYS  13   7.710 -18.444  -3.432
  114    HB3  LYS  13          3HB       LYS  13   8.256 -18.612  -1.769
  115    HG2  LYS  13          2HG       LYS  13   6.484 -20.511  -1.660
  116    HG3  LYS  13          3HG       LYS  13   6.613 -20.476  -3.420
  117    HD2  LYS  13          2HD       LYS  13   9.239 -20.453  -2.637
  118    HD3  LYS  13          3HD       LYS  13   8.490 -21.482  -1.413
  119    HE2  LYS  13          2HE       LYS  13   9.202 -22.889  -3.201
  120    HE3  LYS  13          3HE       LYS  13   7.443 -22.786  -3.274
  121    HZ1  LYS  13          3HZ       LYS  13   9.440 -21.771  -5.133
  122    HZ2  LYS  13          1HZ       LYS  13   8.082 -20.793  -4.885
  123    HZ3  LYS  13          2HZ       LYS  13   7.891 -22.381  -5.433
  124    H    LEU  14           H        LEU  14   7.644 -16.298  -0.611
  125    HA   LEU  14           HA       LEU  14   7.477 -17.523   1.929
  126    HB2  LEU  14          2HB       LEU  14   9.326 -16.142   1.592
  127    HB3  LEU  14          3HB       LEU  14   8.341 -14.822   0.964
  128    HG   LEU  14           HG       LEU  14   7.678 -14.146   3.105
  129   HD11  LEU  14          1HD1      LEU  14   8.652 -15.760   5.045
  130   HD12  LEU  14          2HD1      LEU  14   8.234 -16.943   3.807
  131   HD13  LEU  14          3HD1      LEU  14   7.005 -15.837   4.420
  132   HD21  LEU  14          3HD2      LEU  14   9.760 -13.828   4.325
  133   HD22  LEU  14          1HD2      LEU  14  10.011 -13.602   2.594
  134   HD23  LEU  14          2HD2      LEU  14  10.529 -15.098   3.371
  135    H    THR  15           H        THR  15   5.924 -14.575   0.663
  136    HA   THR  15           HA       THR  15   4.098 -14.560   2.940
  137    HB   THR  15           HB       THR  15   5.107 -12.423   2.300
  138    HG1  THR  15           HG1      THR  15   3.253 -11.345   2.591
  139   HG21  THR  15          3HG2      THR  15   4.134 -11.395   0.126
  140   HG22  THR  15          1HG2      THR  15   3.872 -13.072  -0.353
  141   HG23  THR  15          2HG2      THR  15   5.501 -12.503   0.009
  142    H    HIS  16           H        HIS  16   4.032 -16.513   0.616
  143    HA   HIS  16           HA       HIS  16   1.925 -16.083  -1.107
  144    HB2  HIS  16          2HB       HIS  16   3.465 -18.062  -1.109
  145    HB3  HIS  16          3HB       HIS  16   2.541 -18.721   0.238
  146    HD1  HIS  16           HD1      HIS  16   0.802 -20.325  -0.453
  147    HD2  HIS  16           HD2      HIS  16   1.607 -17.553  -3.441
  148    HE1  HIS  16           HE1      HIS  16  -0.644 -20.994  -2.398
  149    H    ARG  17           H        ARG  17   1.849 -16.653   2.301
  150    HA   ARG  17           HA       ARG  17  -0.794 -17.600   2.553
  151    HB2  ARG  17          2HB       ARG  17   0.955 -16.062   4.478
  152    HB3  ARG  17          3HB       ARG  17  -0.603 -16.753   4.910
  153    HG2  ARG  17          2HG       ARG  17   0.341 -18.711   5.312
  154    HG3  ARG  17          3HG       ARG  17   0.995 -18.766   3.674
  155    HD2  ARG  17          2HD       ARG  17   2.897 -17.376   4.435
  156    HD3  ARG  17          3HD       ARG  17   2.257 -17.451   6.076
  157    HE   ARG  17           HE       ARG  17   2.649 -20.042   4.934
  158   HH11  ARG  17          1HH1      ARG  17   4.246 -17.390   6.527
  159   HH12  ARG  17          2HH1      ARG  17   5.515 -18.374   7.177
  160   HH21  ARG  17          1HH2      ARG  17   4.315 -21.348   5.784
  161   HH22  ARG  17          2HH2      ARG  17   5.554 -20.625   6.753
  162    H    LEU  18           H        LEU  18   0.528 -14.432   2.045
  163    HA   LEU  18           HA       LEU  18  -2.146 -13.252   2.399
  164    HB2  LEU  18          2HB       LEU  18  -0.831 -12.017   3.804
  165    HB3  LEU  18          3HB       LEU  18   0.609 -12.219   2.808
  166    HG   LEU  18           HG       LEU  18  -0.262 -10.562   1.224
  167   HD11  LEU  18          1HD1      LEU  18  -2.301  -9.419   2.889
  168   HD12  LEU  18          2HD1      LEU  18  -2.705 -11.087   2.483
  169   HD13  LEU  18          3HD1      LEU  18  -2.384  -9.921   1.200
  170   HD21  LEU  18          3HD2      LEU  18  -0.526  -9.087   3.750
  171   HD22  LEU  18          1HD2      LEU  18   0.597  -8.858   2.410
  172   HD23  LEU  18          2HD2      LEU  18   0.914 -10.098   3.623
  173    H    PHE  19           H        PHE  19   0.595 -13.576   0.233
  174    HA   PHE  19           HA       PHE  19  -0.756 -12.007  -1.826
  175    HB2  PHE  19          2HB       PHE  19   1.998 -12.715  -1.232
  176    HB3  PHE  19          3HB       PHE  19   1.595 -13.036  -2.916
  177    HD1  PHE  19           HD1      PHE  19   0.354 -10.343  -0.679
  178    HD2  PHE  19           HD2      PHE  19   2.670 -11.359  -4.102
  179    HE1  PHE  19           HE1      PHE  19   0.631  -7.954  -1.195
  180    HE2  PHE  19           HE2      PHE  19   2.952  -8.971  -4.624
  181    HZ   PHE  19           HZ       PHE  19   1.933  -7.265  -3.170
  182    H    ARG  20           H        ARG  20  -1.621 -14.723  -0.869
  183    HA   ARG  20           HA       ARG  20  -1.076 -16.754  -2.650
  184    HB2  ARG  20          2HB       ARG  20  -3.085 -17.791  -1.936
  185    HB3  ARG  20          3HB       ARG  20  -2.504 -16.861  -0.562
  186    HG2  ARG  20          2HG       ARG  20  -4.099 -15.021  -1.595
  187    HG3  ARG  20          3HG       ARG  20  -4.897 -16.448  -2.262
  188    HD2  ARG  20          2HD       ARG  20  -4.175 -16.558   0.601
  189    HD3  ARG  20          3HD       ARG  20  -5.456 -15.430   0.160
  190    HE   ARG  20           HE       ARG  20  -5.807 -18.059  -0.944
  191   HH11  ARG  20          1HH1      ARG  20  -6.349 -16.024   1.828
  192   HH12  ARG  20          2HH1      ARG  20  -7.693 -16.951   2.409
  193   HH21  ARG  20          1HH2      ARG  20  -7.574 -19.287  -0.190
  194   HH22  ARG  20          2HH2      ARG  20  -8.388 -18.808   1.261
  195    H    ARG  21           H        ARG  21  -3.085 -13.934  -3.083
  196    HA   ARG  21           HA       ARG  21  -4.407 -14.858  -5.440
  197    HB2  ARG  21          2HB       ARG  21  -5.173 -12.554  -5.676
  198    HB3  ARG  21          3HB       ARG  21  -5.365 -13.102  -4.016
  199    HG2  ARG  21          2HG       ARG  21  -2.814 -11.905  -4.215
  200    HG3  ARG  21          3HG       ARG  21  -3.973 -10.828  -4.997
  201    HD2  ARG  21          2HD       ARG  21  -5.418 -11.233  -2.897
  202    HD3  ARG  21          3HD       ARG  21  -3.922 -11.815  -2.168
  203    HE   ARG  21           HE       ARG  21  -3.428  -9.318  -3.330
  204   HH11  ARG  21          1HH1      ARG  21  -5.234 -10.713  -0.701
  205   HH12  ARG  21          2HH1      ARG  21  -5.155  -9.288   0.281
  206   HH21  ARG  21          1HH2      ARG  21  -3.318  -7.436  -2.046
  207   HH22  ARG  21          2HH2      ARG  21  -4.066  -7.424  -0.485
  Start of MODEL   11
    1    H1   ARG   1           H        ARG   1   2.956   1.836  -0.844
    2    HA   ARG   1           HA       ARG   1   1.233  -0.430  -1.610
    3    HB2  ARG   1          2HB       ARG   1   2.685   1.565  -3.342
    4    HB3  ARG   1          3HB       ARG   1   2.106   0.024  -3.963
    5    HG2  ARG   1          2HG       ARG   1   0.087   1.555  -2.504
    6    HG3  ARG   1          3HG       ARG   1   0.693   2.348  -3.959
    7    HD2  ARG   1          2HD       ARG   1   0.063  -0.518  -4.227
    8    HD3  ARG   1          3HD       ARG   1  -1.315   0.544  -3.943
    9    HE   ARG   1           HE       ARG   1   0.270   0.364  -6.330
   10   HH11  ARG   1          1HH1      ARG   1  -1.796   2.418  -4.423
   11   HH12  ARG   1          2HH1      ARG   1  -2.268   3.408  -5.765
   12   HH21  ARG   1          1HH2      ARG   1  -0.344   1.660  -8.103
   13   HH22  ARG   1          2HH2      ARG   1  -1.443   2.975  -7.857
   14    H    TRP   2           H        TRP   2   2.190  -2.361  -1.952
   15    HA   TRP   2           HA       TRP   2   4.817  -2.796  -1.001
   16    HB2  TRP   2          2HB       TRP   2   2.603  -4.381  -1.519
   17    HB3  TRP   2          3HB       TRP   2   3.784  -4.927  -2.706
   18    HD1  TRP   2           HD1      TRP   2   6.430  -4.996  -1.189
   19    HE1  TRP   2           HE1      TRP   2   6.804  -6.530   0.843
   20    HE3  TRP   2           HE3      TRP   2   1.559  -5.751   0.166
   21    HZ2  TRP   2           HZ2      TRP   2   5.241  -7.883   2.765
   22    HZ3  TRP   2           HZ3      TRP   2   1.084  -7.179   2.113
   23    HH2  TRP   2           HH2      TRP   2   2.889  -8.223   3.384
   24    H    SER   3           H        SER   3   6.448  -1.848  -2.100
   25    HA   SER   3           HA       SER   3   6.536  -2.016  -5.007
   26    HB2  SER   3          2HB       SER   3   8.627  -0.612  -4.706
   27    HB3  SER   3          3HB       SER   3   7.130   0.130  -4.142
   28    HG   SER   3           HG       SER   3   8.575   0.418  -2.519
   29    H    ILE   4           H        ILE   4   6.900  -4.239  -5.288
   30    HA   ILE   4           HA       ILE   4   9.572  -5.164  -4.454
   31    HB   ILE   4           HB       ILE   4   8.627  -7.490  -4.769
   32   HG12  ILE   4          2HG1      ILE   4   6.552  -6.367  -5.981
   33   HG13  ILE   4          3HG1      ILE   4   6.380  -7.867  -5.076
   34   HG21  ILE   4          1HG2      ILE   4   9.032  -6.551  -2.568
   35   HG22  ILE   4          2HG2      ILE   4   7.458  -5.757  -2.597
   36   HG23  ILE   4          3HG2      ILE   4   7.556  -7.517  -2.558
   37   HD11  ILE   4          3HD1      ILE   4   4.669  -5.973  -4.728
   38   HD12  ILE   4          1HD1      ILE   4   5.294  -6.834  -3.322
   39   HD13  ILE   4          2HD1      ILE   4   5.928  -5.240  -3.735
   40    H    THR   5           H        THR   5  10.697  -4.495  -6.257
   41    HA   THR   5           HA       THR   5   9.897  -4.707  -8.914
   42    HB   THR   5           HB       THR   5  11.774  -3.419  -8.789
   43    HG1  THR   5           HG1      THR   5  13.134  -4.438 -10.075
   44   HG21  THR   5          3HG2      THR   5  12.602  -3.462  -6.680
   45   HG22  THR   5          1HG2      THR   5  13.833  -4.486  -7.420
   46   HG23  THR   5          2HG2      THR   5  12.482  -5.217  -6.554
   47    H    THR   6           H        THR   6  12.498  -6.740  -7.607
   48    HA   THR   6           HA       THR   6  11.449  -8.966  -9.223
   49    HB   THR   6           HB       THR   6  14.206  -8.072  -8.571
   50    HG1  THR   6           HG1      THR   6  13.069  -9.445 -10.799
   51   HG21  THR   6          3HG2      THR   6  13.417 -10.970  -8.848
   52   HG22  THR   6          1HG2      THR   6  14.277 -10.214  -7.508
   53   HG23  THR   6          2HG2      THR   6  15.061 -10.376  -9.079
   54    H    ILE   7           H        ILE   7  12.483  -7.991  -6.036
   55    HA   ILE   7           HA       ILE   7  12.801 -10.417  -4.757
   56    HB   ILE   7           HB       ILE   7  12.960  -7.953  -3.859
   57   HG12  ILE   7          2HG1      ILE   7  11.972 -10.022  -1.910
   58   HG13  ILE   7          3HG1      ILE   7  13.512 -10.219  -2.740
   59   HG21  ILE   7          1HG2      ILE   7  10.495  -7.603  -4.114
   60   HG22  ILE   7          2HG2      ILE   7  10.259  -8.745  -2.792
   61   HG23  ILE   7          3HG2      ILE   7  11.129  -7.238  -2.509
   62   HD11  ILE   7          3HD1      ILE   7  13.699  -9.231  -0.481
   63   HD12  ILE   7          1HD1      ILE   7  14.364  -8.213  -1.757
   64   HD13  ILE   7          2HD1      ILE   7  12.789  -7.835  -1.058
   65    H    HIS   8           H        HIS   8   9.940  -9.044  -6.066
   66    HA   HIS   8           HA       HIS   8   7.903 -10.066  -4.540
   67    HB2  HIS   8          2HB       HIS   8   7.730  -8.657  -6.651
   68    HB3  HIS   8          3HB       HIS   8   7.879 -10.160  -7.557
   69    HD1  HIS   8           HD1      HIS   8   5.383  -8.991  -8.241
   70    HD2  HIS   8           HD2      HIS   8   5.749 -11.058  -4.656
   71    HE1  HIS   8           HE1      HIS   8   3.037  -9.613  -7.582
   72    H    ASN   9           H        ASN   9  10.139 -11.784  -6.559
   73    HA   ASN   9           HA       ASN   9   8.641 -14.190  -6.805
   74    HB2  ASN   9          2HB       ASN   9  11.500 -13.414  -7.253
   75    HB3  ASN   9          3HB       ASN   9  11.063 -15.120  -7.227
   76   HD21  ASN   9          1HD2      ASN   9  11.502 -15.460  -9.372
   77   HD22  ASN   9          2HD2      ASN   9  10.537 -14.802 -10.646
   78    H    LEU  10           H        LEU  10  11.110 -13.053  -4.544
   79    HA   LEU  10           HA       LEU  10  11.203 -15.524  -3.090
   80    HB2  LEU  10          2HB       LEU  10  13.156 -14.145  -3.121
   81    HB3  LEU  10          3HB       LEU  10  12.253 -12.765  -2.498
   82    HG   LEU  10           HG       LEU  10  12.058 -13.801  -0.336
   83   HD11  LEU  10          1HD1      LEU  10  13.014 -15.970   0.166
   84   HD12  LEU  10          2HD1      LEU  10  13.518 -16.162  -1.513
   85   HD13  LEU  10          3HD1      LEU  10  11.802 -16.119  -1.107
   86   HD21  LEU  10          3HD2      LEU  10  14.050 -12.940   0.118
   87   HD22  LEU  10          1HD2      LEU  10  14.533 -13.122  -1.569
   88   HD23  LEU  10          2HD2      LEU  10  14.814 -14.435  -0.425
   89    H    PHE  11           H        PHE  11   8.918 -13.150  -3.283
   90    HA   PHE  11           HA       PHE  11   8.041 -13.528  -0.499
   91    HB2  PHE  11          2HB       PHE  11   7.718 -11.294  -2.455
   92    HB3  PHE  11          3HB       PHE  11   6.456 -11.545  -1.252
   93    HD1  PHE  11           HD2      PHE  11   9.978 -10.665  -1.777
   94    HD2  PHE  11           HD1      PHE  11   6.834 -11.072   1.062
   95    HE1  PHE  11           HE2      PHE  11  11.317  -9.432  -0.123
   96    HE2  PHE  11           HE1      PHE  11   8.168  -9.839   2.722
   97    HZ   PHE  11           HZ       PHE  11  10.413  -9.018   2.130
   98    H    ARG  12           H        ARG  12   6.929 -13.526  -3.860
   99    HA   ARG  12           HA       ARG  12   4.272 -14.100  -3.574
  100    HB2  ARG  12          2HB       ARG  12   4.319 -15.048  -5.754
  101    HB3  ARG  12          3HB       ARG  12   5.554 -13.797  -5.728
  102    HG2  ARG  12          2HG       ARG  12   6.747 -15.432  -6.735
  103    HG3  ARG  12          3HG       ARG  12   7.080 -15.865  -5.056
  104    HD2  ARG  12          2HD       ARG  12   6.289 -17.890  -5.541
  105    HD3  ARG  12          3HD       ARG  12   4.692 -17.147  -5.622
  106    HE   ARG  12           HE       ARG  12   5.928 -16.810  -8.101
  107   HH11  ARG  12          1HH1      ARG  12   4.710 -19.378  -6.092
  108   HH12  ARG  12          2HH1      ARG  12   4.317 -20.412  -7.426
  109   HH21  ARG  12          1HH2      ARG  12   5.415 -18.161  -9.866
  110   HH22  ARG  12          2HH2      ARG  12   4.720 -19.719  -9.572
  111    H    LYS  13           H        LYS  13   6.974 -16.149  -2.861
  112    HA   LYS  13           HA       LYS  13   5.177 -18.433  -2.412
  113    HB2  LYS  13          2HB       LYS  13   7.437 -18.474  -3.813
  114    HB3  LYS  13          3HB       LYS  13   8.140 -18.703  -2.217
  115    HG2  LYS  13          2HG       LYS  13   6.356 -20.579  -1.992
  116    HG3  LYS  13          3HG       LYS  13   6.311 -20.490  -3.754
  117    HD2  LYS  13          2HD       LYS  13   8.349 -21.429  -3.978
  118    HD3  LYS  13          3HD       LYS  13   9.005 -20.579  -2.577
  119    HE2  LYS  13          2HE       LYS  13   8.982 -22.632  -1.649
  120    HE3  LYS  13          3HE       LYS  13   7.283 -22.261  -1.360
  121    HZ1  LYS  13          3HZ       LYS  13   8.478 -24.142  -3.220
  122    HZ2  LYS  13          1HZ       LYS  13   7.159 -23.267  -3.818
  123    HZ3  LYS  13          2HZ       LYS  13   6.988 -24.205  -2.422
  124    H    LEU  14           H        LEU  14   7.651 -16.430  -0.882
  125    HA   LEU  14           HA       LEU  14   7.682 -17.787   1.599
  126    HB2  LEU  14          2HB       LEU  14   9.510 -16.378   1.070
  127    HB3  LEU  14          3HB       LEU  14   8.451 -14.998   0.780
  128    HG   LEU  14           HG       LEU  14   8.626 -16.205   3.513
  129   HD11  LEU  14          1HD1      LEU  14  10.609 -15.256   4.034
  130   HD12  LEU  14          2HD1      LEU  14  10.401 -13.927   2.894
  131   HD13  LEU  14          3HD1      LEU  14  10.918 -15.511   2.316
  132   HD21  LEU  14          3HD2      LEU  14   8.380 -13.609   3.915
  133   HD22  LEU  14          1HD2      LEU  14   6.983 -14.619   3.541
  134   HD23  LEU  14          2HD2      LEU  14   7.736 -13.653   2.272
  135    H    THR  15           H        THR  15   6.039 -14.798   0.575
  136    HA   THR  15           HA       THR  15   4.371 -14.937   2.984
  137    HB   THR  15           HB       THR  15   5.463 -12.781   2.558
  138    HG1  THR  15           HG1      THR  15   3.714 -11.940   3.383
  139   HG21  THR  15          3HG2      THR  15   4.518 -11.423   0.609
  140   HG22  THR  15          1HG2      THR  15   3.988 -12.967  -0.056
  141   HG23  THR  15          2HG2      THR  15   5.704 -12.668   0.220
  142    H    HIS  16           H        HIS  16   4.090 -16.621   0.509
  143    HA   HIS  16           HA       HIS  16   1.962 -15.886  -1.090
  144    HB2  HIS  16          2HB       HIS  16   1.661 -18.215  -1.577
  145    HB3  HIS  16          3HB       HIS  16   3.385 -17.940  -1.346
  146    HD1  HIS  16           HD1      HIS  16   3.732 -18.188   1.617
  147    HD2  HIS  16           HD2      HIS  16   1.199 -20.669  -0.549
  148    HE1  HIS  16           HE1      HIS  16   3.465 -20.262   3.015
  149    H    ARG  17           H        ARG  17   1.965 -16.731   2.247
  150    HA   ARG  17           HA       ARG  17  -0.729 -17.566   2.497
  151    HB2  ARG  17          2HB       ARG  17   1.318 -16.511   4.427
  152    HB3  ARG  17          3HB       ARG  17  -0.338 -16.801   4.944
  153    HG2  ARG  17          2HG       ARG  17   0.009 -18.986   5.110
  154    HG3  ARG  17          3HG       ARG  17   0.732 -19.065   3.502
  155    HD2  ARG  17          2HD       ARG  17   2.875 -18.449   4.361
  156    HD3  ARG  17          3HD       ARG  17   2.194 -18.093   5.948
  157    HE   ARG  17           HE       ARG  17   1.752 -20.802   5.155
  158   HH11  ARG  17          1HH1      ARG  17   4.086 -18.612   6.526
  159   HH12  ARG  17          2HH1      ARG  17   4.945 -19.853   7.376
  160   HH21  ARG  17          1HH2      ARG  17   2.874 -22.445   6.270
  161   HH22  ARG  17          2HH2      ARG  17   4.255 -22.033   7.229
  162    H    LEU  18           H        LEU  18   0.786 -14.458   2.257
  163    HA   LEU  18           HA       LEU  18  -1.774 -13.145   2.876
  164    HB2  LEU  18          2HB       LEU  18  -0.298 -12.145   4.308
  165    HB3  LEU  18          3HB       LEU  18   1.067 -12.344   3.211
  166    HG   LEU  18           HG       LEU  18   0.244 -10.482   1.850
  167   HD11  LEU  18          1HD1      LEU  18  -1.824  -9.696   2.002
  168   HD12  LEU  18          2HD1      LEU  18  -1.638  -9.391   3.729
  169   HD13  LEU  18          3HD1      LEU  18  -2.173 -10.975   3.166
  170   HD21  LEU  18          3HD2      LEU  18   1.798 -10.126   3.768
  171   HD22  LEU  18          1HD2      LEU  18   0.400  -9.707   4.758
  172   HD23  LEU  18          2HD2      LEU  18   0.818  -8.716   3.360
  173    H    PHE  19           H        PHE  19   0.823 -13.416   0.529
  174    HA   PHE  19           HA       PHE  19  -0.548 -11.585  -1.289
  175    HB2  PHE  19          2HB       PHE  19   2.183 -12.332  -0.856
  176    HB3  PHE  19          3HB       PHE  19   1.748 -12.713  -2.519
  177    HD1  PHE  19           HD2      PHE  19   0.622  -9.930  -0.322
  178    HD2  PHE  19           HD1      PHE  19   2.746 -11.088  -3.824
  179    HE1  PHE  19           HE2      PHE  19   0.900  -7.563  -0.932
  180    HE2  PHE  19           HE1      PHE  19   3.029  -8.723  -4.438
  181    HZ   PHE  19           HZ       PHE  19   2.105  -6.957  -2.992
  182    H    ARG  20           H        ARG  20  -1.529 -14.315  -0.563
  183    HA   ARG  20           HA       ARG  20  -1.163 -16.203  -2.540
  184    HB2  ARG  20          2HB       ARG  20  -3.537 -16.915  -2.001
  185    HB3  ARG  20          3HB       ARG  20  -2.430 -16.818  -0.637
  186    HG2  ARG  20          2HG       ARG  20  -3.798 -15.427   0.402
  187    HG3  ARG  20          3HG       ARG  20  -3.708 -14.294  -0.949
  188    HD2  ARG  20          2HD       ARG  20  -6.003 -14.843  -0.631
  189    HD3  ARG  20          3HD       ARG  20  -5.463 -15.662  -2.096
  190    HE   ARG  20           HE       ARG  20  -5.801 -17.684  -1.061
  191   HH11  ARG  20          1HH1      ARG  20  -5.935 -15.127   1.298
  192   HH12  ARG  20          2HH1      ARG  20  -6.521 -16.151   2.566
  193   HH21  ARG  20          1HH2      ARG  20  -6.573 -19.042   0.601
  194   HH22  ARG  20          2HH2      ARG  20  -6.883 -18.378   2.169
  195    H    ARG  21           H        ARG  21  -3.020 -13.249  -2.634
  196    HA   ARG  21           HA       ARG  21  -4.520 -13.856  -4.971
  197    HB2  ARG  21          2HB       ARG  21  -5.337 -12.131  -3.540
  198    HB3  ARG  21          3HB       ARG  21  -3.812 -11.258  -3.612
  199    HG2  ARG  21          2HG       ARG  21  -4.927 -11.620  -6.247
  200    HG3  ARG  21          3HG       ARG  21  -6.071 -10.822  -5.166
  201    HD2  ARG  21          2HD       ARG  21  -4.849  -8.941  -5.072
  202    HD3  ARG  21          3HD       ARG  21  -3.328  -9.825  -4.952
  203    HE   ARG  21           HE       ARG  21  -4.250 -10.094  -7.564
  204   HH11  ARG  21          1HH1      ARG  21  -3.142  -7.577  -5.428
  205   HH12  ARG  21          2HH1      ARG  21  -2.513  -6.590  -6.706
  206   HH21  ARG  21          1HH2      ARG  21  -3.425  -8.803  -9.254
  207   HH22  ARG  21          2HH2      ARG  21  -2.675  -7.288  -8.882
  Start of MODEL   12
    1    H1   ARG   1           H        ARG   1   2.964   2.014  -0.841
    2    HA   ARG   1           HA       ARG   1   1.236  -0.363  -1.032
    3    HB2  ARG   1          2HB       ARG   1   1.503  -0.261  -3.428
    4    HB3  ARG   1          3HB       ARG   1   0.980   1.314  -2.847
    5    HG2  ARG   1          2HG       ARG   1   2.667   2.198  -3.975
    6    HG3  ARG   1          3HG       ARG   1   3.761   1.430  -2.823
    7    HD2  ARG   1          2HD       ARG   1   4.491   0.756  -4.965
    8    HD3  ARG   1          3HD       ARG   1   3.642  -0.630  -4.282
    9    HE   ARG   1           HE       ARG   1   1.896   0.979  -5.840
   10   HH11  ARG   1          1HH1      ARG   1   4.440  -1.385  -6.082
   11   HH12  ARG   1          2HH1      ARG   1   3.915  -1.983  -7.621
   12   HH21  ARG   1          1HH2      ARG   1   1.195   0.200  -7.866
   13   HH22  ARG   1          2HH2      ARG   1   2.070  -1.081  -8.635
   14    H    TRP   2           H        TRP   2   2.209  -2.263  -2.092
   15    HA   TRP   2           HA       TRP   2   4.808  -2.797  -0.954
   16    HB2  TRP   2          2HB       TRP   2   2.569  -4.339  -1.488
   17    HB3  TRP   2          3HB       TRP   2   3.727  -4.868  -2.705
   18    HD1  TRP   2           HD1      TRP   2   6.395  -4.948  -1.174
   19    HE1  TRP   2           HE1      TRP   2   6.774  -6.567   0.790
   20    HE3  TRP   2           HE3      TRP   2   1.524  -5.831   0.101
   21    HZ2  TRP   2           HZ2      TRP   2   5.214  -8.027   2.636
   22    HZ3  TRP   2           HZ3      TRP   2   1.053  -7.352   1.977
   23    HH2  TRP   2           HH2      TRP   2   2.861  -8.427   3.217
   24    H    SER   3           H        SER   3   6.461  -1.881  -2.036
   25    HA   SER   3           HA       SER   3   6.515  -1.989  -4.953
   26    HB2  SER   3          2HB       SER   3   8.857  -0.757  -4.160
   27    HB3  SER   3          3HB       SER   3   7.360   0.069  -4.594
   28    HG   SER   3           HG       SER   3   7.087   0.595  -2.578
   29    H    ILE   4           H        ILE   4   6.884  -4.217  -5.234
   30    HA   ILE   4           HA       ILE   4   9.596  -5.097  -4.482
   31    HB   ILE   4           HB       ILE   4   8.670  -7.444  -4.667
   32   HG12  ILE   4          2HG1      ILE   4   6.515  -6.389  -5.801
   33   HG13  ILE   4          3HG1      ILE   4   6.417  -7.862  -4.843
   34   HG21  ILE   4          1HG2      ILE   4   9.175  -6.418  -2.523
   35   HG22  ILE   4          2HG2      ILE   4   7.585  -5.658  -2.494
   36   HG23  ILE   4          3HG2      ILE   4   7.724  -7.413  -2.402
   37   HD11  ILE   4          3HD1      ILE   4   4.690  -6.000  -4.457
   38   HD12  ILE   4          1HD1      ILE   4   5.422  -6.783  -3.057
   39   HD13  ILE   4          2HD1      ILE   4   5.986  -5.194  -3.574
   40    H    THR   5           H        THR   5  10.648  -4.534  -6.347
   41    HA   THR   5           HA       THR   5   9.667  -4.879  -8.956
   42    HB   THR   5           HB       THR   5  12.058  -4.699  -9.667
   43    HG1  THR   5           HG1      THR   5  12.743  -4.205  -6.982
   44   HG21  THR   5          3HG2      THR   5  11.969  -2.461  -9.430
   45   HG22  THR   5          1HG2      THR   5  11.852  -2.553  -7.674
   46   HG23  THR   5          2HG2      THR   5  10.410  -2.772  -8.667
   47    H    THR   6           H        THR   6  12.548  -6.614  -7.868
   48    HA   THR   6           HA       THR   6  11.613  -8.970  -9.334
   49    HB   THR   6           HB       THR   6  14.288  -7.922  -8.574
   50    HG1  THR   6           HG1      THR   6  13.246  -7.911 -10.739
   51   HG21  THR   6          3HG2      THR   6  13.677 -10.863  -8.865
   52   HG22  THR   6          1HG2      THR   6  14.383 -10.055  -7.466
   53   HG23  THR   6          2HG2      THR   6  15.296 -10.171  -8.971
   54    H    ILE   7           H        ILE   7  12.591  -7.919  -6.130
   55    HA   ILE   7           HA       ILE   7  12.886 -10.328  -4.819
   56    HB   ILE   7           HB       ILE   7  13.057  -7.862  -3.946
   57   HG12  ILE   7          2HG1      ILE   7  12.020  -9.916  -2.003
   58   HG13  ILE   7          3HG1      ILE   7  13.588 -10.096  -2.784
   59   HG21  ILE   7          1HG2      ILE   7  10.611  -7.465  -4.237
   60   HG22  ILE   7          2HG2      ILE   7  10.324  -8.607  -2.926
   61   HG23  ILE   7          3HG2      ILE   7  11.214  -7.117  -2.617
   62   HD11  ILE   7          3HD1      ILE   7  13.266  -8.921  -0.420
   63   HD12  ILE   7          1HD1      ILE   7  14.537  -8.461  -1.553
   64   HD13  ILE   7          2HD1      ILE   7  13.052  -7.513  -1.460
   65    H    HIS   8           H        HIS   8  10.027  -8.930  -6.129
   66    HA   HIS   8           HA       HIS   8   7.984  -9.942  -4.612
   67    HB2  HIS   8          2HB       HIS   8   7.868  -8.552  -6.766
   68    HB3  HIS   8          3HB       HIS   8   7.923 -10.091  -7.621
   69    HD1  HIS   8           HD1      HIS   8   5.468  -8.656  -8.194
   70    HD2  HIS   8           HD2      HIS   8   5.822 -10.948  -4.747
   71    HE1  HIS   8           HE1      HIS   8   3.111  -9.179  -7.490
   72    H    ASN   9           H        ASN   9  10.216 -11.681  -6.618
   73    HA   ASN   9           HA       ASN   9   8.718 -14.074  -6.891
   74    HB2  ASN   9          2HB       ASN   9  11.298 -13.106  -7.672
   75    HB3  ASN   9          3HB       ASN   9  11.490 -14.687  -6.919
   76   HD21  ASN   9          1HD2      ASN   9  11.091 -16.427  -8.100
   77   HD22  ASN   9          2HD2      ASN   9  10.311 -16.437  -9.642
   78    H    LEU  10           H        LEU  10  11.227 -13.041  -4.604
   79    HA   LEU  10           HA       LEU  10  11.234 -15.479  -3.135
   80    HB2  LEU  10          2HB       LEU  10  13.175 -14.141  -3.018
   81    HB3  LEU  10          3HB       LEU  10  12.252 -12.712  -2.558
   82    HG   LEU  10           HG       LEU  10  11.839 -13.652  -0.359
   83   HD11  LEU  10          1HD1      LEU  10  13.558 -15.808  -0.136
   84   HD12  LEU  10          2HD1      LEU  10  12.709 -16.091  -1.655
   85   HD13  LEU  10          3HD1      LEU  10  11.796 -15.866  -0.163
   86   HD21  LEU  10          3HD2      LEU  10  14.769 -14.000  -0.913
   87   HD22  LEU  10          1HD2      LEU  10  13.986 -13.361   0.532
   88   HD23  LEU  10          2HD2      LEU  10  13.992 -12.417  -0.957
   89    H    PHE  11           H        PHE  11   9.025 -12.956  -3.313
   90    HA   PHE  11           HA       PHE  11   8.019 -13.410  -0.596
   91    HB2  PHE  11          2HB       PHE  11   7.666 -11.223  -2.606
   92    HB3  PHE  11          3HB       PHE  11   6.418 -11.476  -1.390
   93    HD1  PHE  11           HD1      PHE  11   6.913 -11.147   0.984
   94    HD2  PHE  11           HD2      PHE  11   9.799 -10.318  -2.033
   95    HE1  PHE  11           HE1      PHE  11   8.228  -9.844   2.605
   96    HE2  PHE  11           HE2      PHE  11  11.119  -9.015  -0.416
   97    HZ   PHE  11           HZ       PHE  11  10.334  -8.777   1.906
   98    H    ARG  12           H        ARG  12   7.000 -13.472  -3.987
   99    HA   ARG  12           HA       ARG  12   4.354 -14.108  -3.777
  100    HB2  ARG  12          2HB       ARG  12   4.457 -14.882  -5.955
  101    HB3  ARG  12          3HB       ARG  12   5.907 -13.892  -5.863
  102    HG2  ARG  12          2HG       ARG  12   7.093 -16.095  -5.226
  103    HG3  ARG  12          3HG       ARG  12   5.656 -16.869  -5.899
  104    HD2  ARG  12          2HD       ARG  12   6.882 -14.744  -7.540
  105    HD3  ARG  12          3HD       ARG  12   7.826 -16.221  -7.353
  106    HE   ARG  12           HE       ARG  12   5.145 -16.824  -8.043
  107   HH11  ARG  12          1HH1      ARG  12   8.129 -15.628  -9.378
  108   HH12  ARG  12          2HH1      ARG  12   7.784 -16.180 -10.983
  109   HH21  ARG  12          1HH2      ARG  12   4.679 -17.556 -10.152
  110   HH22  ARG  12          2HH2      ARG  12   5.821 -17.276 -11.423
  111    H    LYS  13           H        LYS  13   7.074 -16.089  -2.943
  112    HA   LYS  13           HA       LYS  13   5.321 -18.409  -2.525
  113    HB2  LYS  13          2HB       LYS  13   7.407 -18.708  -3.874
  114    HB3  LYS  13          3HB       LYS  13   8.341 -18.302  -2.440
  115    HG2  LYS  13          2HG       LYS  13   8.169 -20.733  -2.872
  116    HG3  LYS  13          3HG       LYS  13   7.549 -20.246  -1.293
  117    HD2  LYS  13          2HD       LYS  13   5.275 -20.363  -2.108
  118    HD3  LYS  13          3HD       LYS  13   5.847 -20.717  -3.740
  119    HE2  LYS  13          2HE       LYS  13   5.210 -22.794  -2.838
  120    HE3  LYS  13          3HE       LYS  13   6.970 -22.764  -2.739
  121    HZ1  LYS  13          3HZ       LYS  13   5.736 -23.567  -0.707
  122    HZ2  LYS  13          1HZ       LYS  13   5.251 -21.964  -0.466
  123    HZ3  LYS  13          2HZ       LYS  13   6.895 -22.363  -0.445
  124    H    LEU  14           H        LEU  14   7.661 -16.319  -0.898
  125    HA   LEU  14           HA       LEU  14   7.579 -17.621   1.608
  126    HB2  LEU  14          2HB       LEU  14   9.402 -16.214   1.284
  127    HB3  LEU  14          3HB       LEU  14   8.398 -14.894   0.687
  128    HG   LEU  14           HG       LEU  14   7.758 -14.253   2.846
  129   HD11  LEU  14          1HD1      LEU  14   8.334 -17.054   3.497
  130   HD12  LEU  14          2HD1      LEU  14   7.122 -15.957   4.158
  131   HD13  LEU  14          3HD1      LEU  14   8.784 -15.893   4.746
  132   HD21  LEU  14          3HD2      LEU  14   9.948 -14.175   4.124
  133   HD22  LEU  14          1HD2      LEU  14   9.964 -13.509   2.491
  134   HD23  LEU  14          2HD2      LEU  14  10.639 -15.110   2.797
  135    H    THR  15           H        THR  15   5.951 -14.664   0.464
  136    HA   THR  15           HA       THR  15   4.165 -14.776   2.779
  137    HB   THR  15           HB       THR  15   5.171 -12.602   2.292
  138    HG1  THR  15           HG1      THR  15   3.145 -12.446   3.190
  139   HG21  THR  15          3HG2      THR  15   4.274 -11.404   0.206
  140   HG22  THR  15          1HG2      THR  15   3.892 -13.016  -0.396
  141   HG23  THR  15          2HG2      THR  15   5.562 -12.587  -0.022
  142    H    HIS  16           H        HIS  16   4.096 -16.527   0.273
  143    HA   HIS  16           HA       HIS  16   1.958 -15.968  -1.369
  144    HB2  HIS  16          2HB       HIS  16   1.859 -18.290  -1.873
  145    HB3  HIS  16          3HB       HIS  16   3.545 -17.940  -1.506
  146    HD1  HIS  16           HD1      HIS  16   1.470 -20.596  -1.064
  147    HD2  HIS  16           HD2      HIS  16   3.632 -18.336   1.671
  148    HE1  HIS  16           HE1      HIS  16   1.743 -22.067   0.957
  149    H    ARG  17           H        ARG  17   1.937 -16.839   1.974
  150    HA   ARG  17           HA       ARG  17  -0.697 -17.828   2.175
  151    HB2  ARG  17          2HB       ARG  17   1.136 -16.515   4.178
  152    HB3  ARG  17          3HB       ARG  17  -0.459 -17.116   4.607
  153    HG2  ARG  17          2HG       ARG  17   0.259 -19.215   4.723
  154    HG3  ARG  17          3HG       ARG  17   1.104 -19.094   3.178
  155    HD2  ARG  17          2HD       ARG  17   2.773 -19.531   4.784
  156    HD3  ARG  17          3HD       ARG  17   2.900 -17.810   4.421
  157    HE   ARG  17           HE       ARG  17   1.219 -18.369   6.676
  158   HH11  ARG  17          1HH1      ARG  17   4.502 -17.887   5.622
  159   HH12  ARG  17          2HH1      ARG  17   5.065 -17.376   7.179
  160   HH21  ARG  17          1HH2      ARG  17   1.948 -17.698   8.731
  161   HH22  ARG  17          2HH2      ARG  17   3.612 -17.270   8.947
  162    H    LEU  18           H        LEU  18   0.602 -14.616   1.951
  163    HA   LEU  18           HA       LEU  18  -2.072 -13.491   2.451
  164    HB2  LEU  18          2HB       LEU  18  -0.738 -12.383   3.942
  165    HB3  LEU  18          3HB       LEU  18   0.685 -12.483   2.907
  166    HG   LEU  18           HG       LEU  18  -0.229 -10.694   1.495
  167   HD11  LEU  18          1HD1      LEU  18  -2.336  -9.997   1.607
  168   HD12  LEU  18          2HD1      LEU  18  -2.242  -9.771   3.354
  169   HD13  LEU  18          3HD1      LEU  18  -2.644 -11.355   2.690
  170   HD21  LEU  18          3HD2      LEU  18  -0.264  -9.814   4.370
  171   HD22  LEU  18          1HD2      LEU  18   0.270  -8.910   2.953
  172   HD23  LEU  18          2HD2      LEU  18   1.218 -10.280   3.533
  173    H    PHE  19           H        PHE  19   0.710 -13.417   0.275
  174    HA   PHE  19           HA       PHE  19  -0.779 -11.795  -1.642
  175    HB2  PHE  19          2HB       PHE  19   1.986 -12.147  -1.016
  176    HB3  PHE  19          3HB       PHE  19   1.735 -12.603  -2.697
  177    HD1  PHE  19           HD2      PHE  19  -0.279 -10.796  -3.649
  178    HD2  PHE  19           HD1      PHE  19   2.933 -10.056  -0.956
  179    HE1  PHE  19           HE2      PHE  19  -0.293  -8.421  -4.291
  180    HE2  PHE  19           HE1      PHE  19   2.924  -7.680  -1.593
  181    HZ   PHE  19           HZ       PHE  19   1.311  -6.859  -3.263
  182    H    ARG  20           H        ARG  20  -1.582 -14.541  -1.040
  183    HA   ARG  20           HA       ARG  20  -0.800 -16.443  -2.870
  184    HB2  ARG  20          2HB       ARG  20  -3.220 -17.266  -2.686
  185    HB3  ARG  20          3HB       ARG  20  -2.290 -17.148  -1.198
  186    HG2  ARG  20          2HG       ARG  20  -3.702 -14.690  -1.762
  187    HG3  ARG  20          3HG       ARG  20  -4.795 -16.074  -1.686
  188    HD2  ARG  20          2HD       ARG  20  -2.716 -15.517   0.416
  189    HD3  ARG  20          3HD       ARG  20  -4.350 -14.861   0.494
  190    HE   ARG  20           HE       ARG  20  -3.543 -17.549   1.057
  191   HH11  ARG  20          1HH1      ARG  20  -6.173 -15.553  -0.047
  192   HH12  ARG  20          2HH1      ARG  20  -7.401 -16.671   0.445
  193   HH21  ARG  20          1HH2      ARG  20  -5.151 -19.030   1.710
  194   HH22  ARG  20          2HH2      ARG  20  -6.819 -18.648   1.446
  195    H    ARG  21           H        ARG  21  -2.843 -13.649  -3.350
  196    HA   ARG  21           HA       ARG  21  -4.099 -14.307  -5.735
  197    HB2  ARG  21          2HB       ARG  21  -3.183 -11.704  -4.556
  198    HB3  ARG  21          3HB       ARG  21  -3.901 -11.747  -6.161
  199    HG2  ARG  21          2HG       ARG  21  -5.969 -12.451  -5.349
  200    HG3  ARG  21          3HG       ARG  21  -5.287 -12.975  -3.807
  201    HD2  ARG  21          2HD       ARG  21  -4.939 -10.718  -3.113
  202    HD3  ARG  21          3HD       ARG  21  -5.341 -10.104  -4.717
  203    HE   ARG  21           HE       ARG  21  -7.592 -11.404  -3.974
  204   HH11  ARG  21          1HH1      ARG  21  -5.619  -8.976  -2.446
  205   HH12  ARG  21          2HH1      ARG  21  -6.939  -8.262  -1.580
  206   HH21  ARG  21          1HH2      ARG  21  -9.338 -10.472  -2.840
  207   HH22  ARG  21          2HH2      ARG  21  -9.054  -9.114  -1.805
  Start of MODEL   13
    1    H1   ARG   1           H        ARG   1   3.863   2.074  -0.845
    2    HA   ARG   1           HA       ARG   1   1.918  -0.132  -1.031
    3    HB2  ARG   1          2HB       ARG   1   2.559   1.750  -2.961
    4    HB3  ARG   1          3HB       ARG   1   3.512   0.347  -3.427
    5    HG2  ARG   1          2HG       ARG   1   1.655  -0.950  -3.834
    6    HG3  ARG   1          3HG       ARG   1   0.624   0.008  -2.770
    7    HD2  ARG   1          2HD       ARG   1   1.669   1.605  -4.938
    8    HD3  ARG   1          3HD       ARG   1   0.813   0.188  -5.545
    9    HE   ARG   1           HE       ARG   1  -0.343   2.488  -4.345
   10   HH11  ARG   1          1HH1      ARG   1  -0.694  -0.963  -4.632
   11   HH12  ARG   1          2HH1      ARG   1  -2.406  -0.943  -4.365
   12   HH21  ARG   1          1HH2      ARG   1  -2.597   2.529  -3.993
   13   HH22  ARG   1          2HH2      ARG   1  -3.487   1.044  -4.003
   14    H    TRP   2           H        TRP   2   3.142  -1.869  -2.649
   15    HA   TRP   2           HA       TRP   2   5.511  -2.656  -1.098
   16    HB2  TRP   2          2HB       TRP   2   3.211  -4.077  -1.710
   17    HB3  TRP   2          3HB       TRP   2   4.393  -4.696  -2.860
   18    HD1  TRP   2           HD1      TRP   2   6.971  -4.963  -1.252
   19    HE1  TRP   2           HE1      TRP   2   7.164  -6.535   0.777
   20    HE3  TRP   2           HE3      TRP   2   2.014  -5.381  -0.075
   21    HZ2  TRP   2           HZ2      TRP   2   5.442  -7.787   2.631
   22    HZ3  TRP   2           HZ3      TRP   2   1.370  -6.785   1.841
   23    HH2  TRP   2           HH2      TRP   2   3.051  -7.963   3.164
   24    H    SER   3           H        SER   3   7.244  -1.819  -2.129
   25    HA   SER   3           HA       SER   3   7.423  -1.969  -5.033
   26    HB2  SER   3          2HB       SER   3   9.200  -0.694  -2.945
   27    HB3  SER   3          3HB       SER   3   9.577  -0.706  -4.667
   28    HG   SER   3           HG       SER   3   8.491   1.209  -4.038
   29    H    ILE   4           H        ILE   4   7.637  -4.210  -5.324
   30    HA   ILE   4           HA       ILE   4  10.205  -5.330  -4.407
   31    HB   ILE   4           HB       ILE   4   9.110  -7.580  -4.782
   32   HG12  ILE   4          2HG1      ILE   4   7.164  -6.298  -6.052
   33   HG13  ILE   4          3HG1      ILE   4   6.856  -7.793  -5.176
   34   HG21  ILE   4          1HG2      ILE   4   9.499  -6.691  -2.557
   35   HG22  ILE   4          2HG2      ILE   4   7.988  -5.787  -2.634
   36   HG23  ILE   4          3HG2      ILE   4   7.960  -7.550  -2.611
   37   HD11  ILE   4          3HD1      ILE   4   6.538  -5.152  -3.820
   38   HD12  ILE   4          1HD1      ILE   4   5.266  -5.794  -4.859
   39   HD13  ILE   4          2HD1      ILE   4   5.789  -6.703  -3.441
   40    H    THR   5           H        THR   5  11.439  -4.727  -6.161
   41    HA   THR   5           HA       THR   5  10.722  -4.859  -8.848
   42    HB   THR   5           HB       THR   5  12.679  -3.708  -8.642
   43    HG1  THR   5           HG1      THR   5  14.387  -5.006  -9.473
   44   HG21  THR   5          3HG2      THR   5  14.607  -4.932  -7.213
   45   HG22  THR   5          1HG2      THR   5  13.178  -5.571  -6.403
   46   HG23  THR   5          2HG2      THR   5  13.428  -3.828  -6.506
   47    H    THR   6           H        THR   6  13.124  -7.082  -7.471
   48    HA   THR   6           HA       THR   6  11.981  -9.214  -9.148
   49    HB   THR   6           HB       THR   6  14.769  -8.523  -8.388
   50    HG1  THR   6           HG1      THR   6  13.789  -9.900 -10.672
   51   HG21  THR   6          3HG2      THR   6  13.787 -11.355  -8.727
   52   HG22  THR   6          1HG2      THR   6  14.650 -10.675  -7.348
   53   HG23  THR   6          2HG2      THR   6  15.477 -10.878  -8.893
   54    H    ILE   7           H        ILE   7  12.964  -8.342  -5.916
   55    HA   ILE   7           HA       ILE   7  13.064 -10.795  -4.653
   56    HB   ILE   7           HB       ILE   7  13.363  -8.355  -3.724
   57   HG12  ILE   7          2HG1      ILE   7  12.168 -10.367  -1.833
   58   HG13  ILE   7          3HG1      ILE   7  13.719 -10.664  -2.612
   59   HG21  ILE   7          1HG2      ILE   7  10.938  -7.833  -4.058
   60   HG22  ILE   7          2HG2      ILE   7  10.578  -8.968  -2.758
   61   HG23  ILE   7          3HG2      ILE   7  11.540  -7.527  -2.429
   62   HD11  ILE   7          3HD1      ILE   7  14.422  -8.403  -1.665
   63   HD12  ILE   7          1HD1      ILE   7  12.990  -8.530  -0.644
   64   HD13  ILE   7          2HD1      ILE   7  14.258  -9.751  -0.540
   65    H    HIS   8           H        HIS   8  10.357  -9.212  -6.048
   66    HA   HIS   8           HA       HIS   8   8.198 -10.099  -4.606
   67    HB2  HIS   8          2HB       HIS   8   8.200  -8.664  -6.705
   68    HB3  HIS   8          3HB       HIS   8   8.279 -10.165  -7.623
   69    HD1  HIS   8           HD1      HIS   8   5.897  -8.829  -8.389
   70    HD2  HIS   8           HD2      HIS   8   5.985 -10.929  -4.805
   71    HE1  HIS   8           HE1      HIS   8   3.491  -9.290  -7.821
   72    H    ASN   9           H        ASN   9  10.380 -11.955  -6.562
   73    HA   ASN   9           HA       ASN   9   8.726 -14.247  -6.887
   74    HB2  ASN   9          2HB       ASN   9  11.401 -13.441  -7.606
   75    HB3  ASN   9          3HB       ASN   9  11.416 -15.076  -6.952
   76   HD21  ASN   9          1HD2      ASN   9   9.396 -13.114  -9.116
   77   HD22  ASN   9          2HD2      ASN   9   9.213 -14.334 -10.325
   78    H    LEU  10           H        LEU  10  11.187 -13.307  -4.529
   79    HA   LEU  10           HA       LEU  10  11.053 -15.791  -3.099
   80    HB2  LEU  10          2HB       LEU  10  13.099 -14.554  -3.049
   81    HB3  LEU  10          3HB       LEU  10  12.276 -13.119  -2.442
   82    HG   LEU  10           HG       LEU  10  11.932 -14.156  -0.300
   83   HD11  LEU  10          1HD1      LEU  10  13.259 -16.606  -1.450
   84   HD12  LEU  10          2HD1      LEU  10  11.538 -16.443  -1.104
   85   HD13  LEU  10          3HD1      LEU  10  12.710 -16.392   0.213
   86   HD21  LEU  10          3HD2      LEU  10  14.020 -13.070  -0.440
   87   HD22  LEU  10          1HD2      LEU  10  14.727 -14.380  -1.387
   88   HD23  LEU  10          2HD2      LEU  10  14.345 -14.630   0.317
   89    H    PHE  11           H        PHE  11   8.951 -13.256  -3.346
   90    HA   PHE  11           HA       PHE  11   7.953 -13.594  -0.598
   91    HB2  PHE  11          2HB       PHE  11   7.861 -11.326  -2.538
   92    HB3  PHE  11          3HB       PHE  11   6.541 -11.495  -1.385
   93    HD1  PHE  11           HD1      PHE  11  10.137 -10.877  -1.771
   94    HD2  PHE  11           HD2      PHE  11   6.864 -11.062   0.944
   95    HE1  PHE  11           HE1      PHE  11  11.501  -9.759  -0.056
   96    HE2  PHE  11           HE2      PHE  11   8.223  -9.943   2.663
   97    HZ   PHE  11           HZ       PHE  11  10.544  -9.289   2.164
   98    H    ARG  12           H        ARG  12   6.963 -13.484  -3.995
   99    HA   ARG  12           HA       ARG  12   4.262 -13.867  -3.807
  100    HB2  ARG  12          2HB       ARG  12   4.318 -14.797  -5.995
  101    HB3  ARG  12          3HB       ARG  12   5.638 -13.637  -5.912
  102    HG2  ARG  12          2HG       ARG  12   6.745 -15.345  -6.896
  103    HG3  ARG  12          3HG       ARG  12   6.988 -15.815  -5.212
  104    HD2  ARG  12          2HD       ARG  12   6.073 -17.774  -5.747
  105    HD3  ARG  12          3HD       ARG  12   4.536 -16.919  -5.872
  106    HE   ARG  12           HE       ARG  12   5.667 -16.568  -8.314
  107   HH11  ARG  12          1HH1      ARG  12   4.978 -19.354  -6.344
  108   HH12  ARG  12          2HH1      ARG  12   4.743 -20.414  -7.695
  109   HH21  ARG  12          1HH2      ARG  12   5.359 -17.953 -10.101
  110   HH22  ARG  12          2HH2      ARG  12   4.961 -19.615  -9.831
  111    H    LYS  13           H        LYS  13   6.784 -16.110  -3.023
  112    HA   LYS  13           HA       LYS  13   4.813 -18.263  -2.662
  113    HB2  LYS  13          2HB       LYS  13   7.105 -18.461  -3.989
  114    HB3  LYS  13          3HB       LYS  13   7.744 -18.740  -2.375
  115    HG2  LYS  13          2HG       LYS  13   5.809 -20.484  -2.222
  116    HG3  LYS  13          3HG       LYS  13   5.865 -20.402  -3.984
  117    HD2  LYS  13          2HD       LYS  13   8.516 -20.622  -3.314
  118    HD3  LYS  13          3HD       LYS  13   7.730 -21.632  -2.098
  119    HE2  LYS  13          2HE       LYS  13   6.539 -22.817  -3.915
  120    HE3  LYS  13          3HE       LYS  13   7.431 -21.853  -5.092
  121    HZ1  LYS  13          3HZ       LYS  13   8.274 -24.157  -3.609
  122    HZ2  LYS  13          1HZ       LYS  13   9.377 -22.879  -3.500
  123    HZ3  LYS  13          2HZ       LYS  13   8.927 -23.481  -5.015
  124    H    LEU  14           H        LEU  14   7.368 -16.456  -1.027
  125    HA   LEU  14           HA       LEU  14   7.216 -17.833   1.438
  126    HB2  LEU  14          2HB       LEU  14   9.157 -16.555   0.988
  127    HB3  LEU  14          3HB       LEU  14   8.211 -15.100   0.679
  128    HG   LEU  14           HG       LEU  14   8.205 -16.342   3.402
  129   HD11  LEU  14          1HD1      LEU  14  10.582 -15.989   2.498
  130   HD12  LEU  14          2HD1      LEU  14  10.167 -15.273   4.055
  131   HD13  LEU  14          3HD1      LEU  14  10.216 -14.267   2.608
  132   HD21  LEU  14          3HD2      LEU  14   7.537 -13.723   2.162
  133   HD22  LEU  14          1HD2      LEU  14   8.130 -13.737   3.823
  134   HD23  LEU  14          2HD2      LEU  14   6.678 -14.644   3.398
  135    H    THR  15           H        THR  15   5.828 -14.725   0.392
  136    HA   THR  15           HA       THR  15   4.071 -14.764   2.741
  137    HB   THR  15           HB       THR  15   5.329 -12.689   2.376
  138    HG1  THR  15           HG1      THR  15   3.506 -12.090   3.323
  139   HG21  THR  15          3HG2      THR  15   4.549 -11.250   0.410
  140   HG22  THR  15          1HG2      THR  15   3.938 -12.748  -0.290
  141   HG23  THR  15          2HG2      THR  15   5.660 -12.571   0.050
  142    H    HIS  16           H        HIS  16   3.758 -16.400   0.236
  143    HA   HIS  16           HA       HIS  16   1.745 -15.501  -1.425
  144    HB2  HIS  16          2HB       HIS  16   1.307 -17.791  -1.962
  145    HB3  HIS  16          3HB       HIS  16   3.033 -17.655  -1.640
  146    HD1  HIS  16           HD1      HIS  16   3.187 -17.951   1.344
  147    HD2  HIS  16           HD2      HIS  16   0.623 -20.224  -1.006
  148    HE1  HIS  16           HE1      HIS  16   2.693 -20.016   2.692
  149    H    ARG  17           H        ARG  17   1.571 -16.378   1.900
  150    HA   ARG  17           HA       ARG  17  -1.182 -17.019   2.049
  151    HB2  ARG  17          2HB       ARG  17  -0.922 -16.579   4.476
  152    HB3  ARG  17          3HB       ARG  17   0.318 -17.649   3.837
  153    HG2  ARG  17          2HG       ARG  17   1.952 -15.931   3.890
  154    HG3  ARG  17          3HG       ARG  17   0.733 -14.698   4.224
  155    HD2  ARG  17          2HD       ARG  17   0.256 -15.826   6.379
  156    HD3  ARG  17          3HD       ARG  17   1.574 -16.949   6.046
  157    HE   ARG  17           HE       ARG  17   2.404 -14.216   5.925
  158   HH11  ARG  17          1HH1      ARG  17   1.750 -16.874   8.076
  159   HH12  ARG  17          2HH1      ARG  17   2.807 -16.297   9.321
  160   HH21  ARG  17          1HH2      ARG  17   3.800 -13.446   7.556
  161   HH22  ARG  17          2HH2      ARG  17   3.972 -14.346   9.025
  162    H    LEU  18           H        LEU  18   0.557 -14.024   1.899
  163    HA   LEU  18           HA       LEU  18  -1.926 -12.539   2.441
  164    HB2  LEU  18          2HB       LEU  18  -0.436 -11.658   3.935
  165    HB3  LEU  18          3HB       LEU  18   0.951 -11.944   2.885
  166    HG   LEU  18           HG       LEU  18   0.308 -10.016   1.517
  167   HD11  LEU  18          1HD1      LEU  18  -1.701  -9.081   1.610
  168   HD12  LEU  18          2HD1      LEU  18  -1.558  -8.816   3.347
  169   HD13  LEU  18          3HD1      LEU  18  -2.182 -10.348   2.738
  170   HD21  LEU  18          3HD2      LEU  18   0.962  -8.313   3.060
  171   HD22  LEU  18          1HD2      LEU  18   1.813  -9.794   3.497
  172   HD23  LEU  18          2HD2      LEU  18   0.414  -9.272   4.435
  173    H    PHE  19           H        PHE  19   0.726 -12.977   0.183
  174    HA   PHE  19           HA       PHE  19  -0.443 -11.035  -1.662
  175    HB2  PHE  19          2HB       PHE  19   2.209 -11.979  -1.141
  176    HB3  PHE  19          3HB       PHE  19   1.808 -12.318  -2.821
  177    HD1  PHE  19           HD1      PHE  19   0.807  -9.475  -0.641
  178    HD2  PHE  19           HD2      PHE  19   2.964 -10.761  -4.078
  179    HE1  PHE  19           HE1      PHE  19   1.275  -7.130  -1.220
  180    HE2  PHE  19           HE2      PHE  19   3.436  -8.418  -4.662
  181    HZ   PHE  19           HZ       PHE  19   2.592  -6.599  -3.232
  182    H    ARG  20           H        ARG  20  -1.651 -13.686  -1.002
  183    HA   ARG  20           HA       ARG  20  -1.350 -15.582  -2.983
  184    HB2  ARG  20          2HB       ARG  20  -2.757 -15.877  -0.979
  185    HB3  ARG  20          3HB       ARG  20  -3.932 -14.752  -1.647
  186    HG2  ARG  20          2HG       ARG  20  -4.732 -16.963  -2.013
  187    HG3  ARG  20          3HG       ARG  20  -4.224 -16.306  -3.571
  188    HD2  ARG  20          2HD       ARG  20  -2.740 -17.939  -3.849
  189    HD3  ARG  20          3HD       ARG  20  -2.029 -17.633  -2.265
  190    HE   ARG  20           HE       ARG  20  -3.919 -19.688  -2.951
  191   HH11  ARG  20          1HH1      ARG  20  -2.625 -17.728  -0.381
  192   HH12  ARG  20          2HH1      ARG  20  -3.058 -18.849   0.867
  193   HH21  ARG  20          1HH2      ARG  20  -4.494 -21.171  -1.317
  194   HH22  ARG  20          2HH2      ARG  20  -4.120 -20.807   0.334
  195    H    ARG  21           H        ARG  21  -2.965 -12.494  -3.120
  196    HA   ARG  21           HA       ARG  21  -3.904 -13.084  -5.842
  197    HB2  ARG  21          2HB       ARG  21  -4.797 -11.177  -3.720
  198    HB3  ARG  21          3HB       ARG  21  -5.090 -10.770  -5.406
  199    HG2  ARG  21          2HG       ARG  21  -6.959 -11.952  -5.244
  200    HG3  ARG  21          3HG       ARG  21  -5.941 -13.393  -5.198
  201    HD2  ARG  21          2HD       ARG  21  -7.382 -13.532  -3.326
  202    HD3  ARG  21          3HD       ARG  21  -5.799 -13.068  -2.702
  203    HE   ARG  21           HE       ARG  21  -6.706 -11.097  -1.989
  204   HH11  ARG  21          1HH1      ARG  21  -8.837 -12.535  -4.336
  205   HH12  ARG  21          2HH1      ARG  21 -10.100 -11.374  -4.094
  206   HH21  ARG  21          1HH2      ARG  21  -8.362  -9.562  -1.661
  207   HH22  ARG  21          2HH2      ARG  21  -9.828  -9.683  -2.572
  Start of MODEL   14
    1    H1   ARG   1           H        ARG   1   2.544   0.468   0.032
    2    HA   ARG   1           HA       ARG   1   1.033  -1.270  -1.757
    3    HB2  ARG   1          2HB       ARG   1   2.450   1.243  -2.599
    4    HB3  ARG   1          3HB       ARG   1   2.263  -0.103  -3.714
    5    HG2  ARG   1          2HG       ARG   1  -0.141   0.034  -3.540
    6    HG3  ARG   1          3HG       ARG   1  -0.005   1.303  -2.321
    7    HD2  ARG   1          2HD       ARG   1  -0.521   2.239  -4.514
    8    HD3  ARG   1          3HD       ARG   1   1.066   2.765  -3.955
    9    HE   ARG   1           HE       ARG   1   1.240   0.439  -5.589
   10   HH11  ARG   1          1HH1      ARG   1   0.848   3.897  -5.684
   11   HH12  ARG   1          2HH1      ARG   1   1.523   4.061  -7.271
   12   HH21  ARG   1          1HH2      ARG   1   2.131   0.642  -7.679
   13   HH22  ARG   1          2HH2      ARG   1   2.252   2.208  -8.405
   14    H    TRP   2           H        TRP   2   2.124  -3.114  -1.709
   15    HA   TRP   2           HA       TRP   2   4.796  -3.384  -0.887
   16    HB2  TRP   2          2HB       TRP   2   2.688  -5.107  -1.372
   17    HB3  TRP   2          3HB       TRP   2   3.853  -5.543  -2.619
   18    HD1  TRP   2           HD1      TRP   2   6.555  -5.359  -1.118
   19    HE1  TRP   2           HE1      TRP   2   7.114  -6.958   0.820
   20    HE3  TRP   2           HE3      TRP   2   1.810  -6.740   0.190
   21    HZ2  TRP   2           HZ2      TRP   2   5.727  -8.589   2.659
   22    HZ3  TRP   2           HZ3      TRP   2   1.512  -8.324   2.049
   23    HH2  TRP   2           HH2      TRP   2   3.432  -9.228   3.256
   24    H    SER   3           H        SER   3   6.324  -2.291  -2.005
   25    HA   SER   3           HA       SER   3   6.365  -2.434  -4.918
   26    HB2  SER   3          2HB       SER   3   8.329  -0.972  -3.151
   27    HB3  SER   3          3HB       SER   3   7.976  -0.680  -4.854
   28    HG   SER   3           HG       SER   3   6.918   0.573  -2.880
   29    H    ILE   4           H        ILE   4   6.922  -4.622  -5.193
   30    HA   ILE   4           HA       ILE   4   9.709  -5.260  -4.475
   31    HB   ILE   4           HB       ILE   4   8.987  -7.680  -4.619
   32   HG12  ILE   4          2HG1      ILE   4   6.736  -6.846  -5.732
   33   HG13  ILE   4          3HG1      ILE   4   6.771  -8.293  -4.731
   34   HG21  ILE   4          1HG2      ILE   4   9.436  -6.576  -2.497
   35   HG22  ILE   4          2HG2      ILE   4   7.780  -5.976  -2.444
   36   HG23  ILE   4          3HG2      ILE   4   8.093  -7.708  -2.338
   37   HD11  ILE   4          3HD1      ILE   4   5.700  -7.257  -2.971
   38   HD12  ILE   4          1HD1      ILE   4   6.154  -5.640  -3.512
   39   HD13  ILE   4          2HD1      ILE   4   4.909  -6.543  -4.377
   40    H    THR   5           H        THR   5  10.675  -4.629  -6.366
   41    HA   THR   5           HA       THR   5   9.728  -4.979  -8.953
   42    HB   THR   5           HB       THR   5  11.549  -3.604  -8.981
   43    HG1  THR   5           HG1      THR   5  13.351  -4.790  -9.885
   44   HG21  THR   5          3HG2      THR   5  13.741  -4.557  -7.734
   45   HG22  THR   5          1HG2      THR   5  12.481  -5.309  -6.757
   46   HG23  THR   5          2HG2      THR   5  12.528  -3.556  -6.938
   47    H    THR   6           H        THR   6  12.530  -6.832  -7.822
   48    HA   THR   6           HA       THR   6  11.509  -9.143  -9.321
   49    HB   THR   6           HB       THR   6  14.242  -8.150  -8.699
   50    HG1  THR   6           HG1      THR   6  14.381  -8.308 -10.821
   51   HG21  THR   6          3HG2      THR   6  13.560 -11.074  -9.001
   52   HG22  THR   6          1HG2      THR   6  14.343 -10.302  -7.623
   53   HG23  THR   6          2HG2      THR   6  15.184 -10.409  -9.170
   54    H    ILE   7           H        ILE   7  12.672  -8.118  -6.172
   55    HA   ILE   7           HA       ILE   7  13.005 -10.533  -4.883
   56    HB   ILE   7           HB       ILE   7  13.310  -8.125  -3.986
   57   HG12  ILE   7          2HG1      ILE   7  12.124 -10.107  -2.047
   58   HG13  ILE   7          3HG1      ILE   7  13.699 -10.355  -2.795
   59   HG21  ILE   7          1HG2      ILE   7  10.930  -7.505  -4.274
   60   HG22  ILE   7          2HG2      ILE   7  10.509  -8.656  -3.008
   61   HG23  ILE   7          3HG2      ILE   7  11.517  -7.260  -2.630
   62   HD11  ILE   7          3HD1      ILE   7  13.302  -9.113  -0.435
   63   HD12  ILE   7          1HD1      ILE   7  14.696  -8.841  -1.481
   64   HD13  ILE   7          2HD1      ILE   7  13.323  -7.734  -1.534
   65    H    HIS   8           H        HIS   8  10.109  -9.133  -6.080
   66    HA   HIS   8           HA       HIS   8   8.112 -10.073  -4.471
   67    HB2  HIS   8          2HB       HIS   8   7.843  -8.756  -6.601
   68    HB3  HIS   8          3HB       HIS   8   8.043 -10.265  -7.487
   69    HD1  HIS   8           HD1      HIS   8   5.531  -9.392  -8.275
   70    HD2  HIS   8           HD2      HIS   8   5.930 -11.001  -4.465
   71    HE1  HIS   8           HE1      HIS   8   3.205 -10.038  -7.571
   72    H    ASN   9           H        ASN   9  10.221 -11.916  -6.540
   73    HA   ASN   9           HA       ASN   9   8.718 -14.302  -6.652
   74    HB2  ASN   9          2HB       ASN   9  11.575 -13.567  -7.111
   75    HB3  ASN   9          3HB       ASN   9  11.173 -15.272  -6.936
   76   HD21  ASN   9          1HD2      ASN   9   9.620 -12.492  -8.505
   77   HD22  ASN   9          2HD2      ASN   9   9.435 -13.251 -10.046
   78    H    LEU  10           H        LEU  10  11.258 -13.200  -4.434
   79    HA   LEU  10           HA       LEU  10  11.281 -15.577  -2.875
   80    HB2  LEU  10          2HB       LEU  10  13.213 -14.216  -2.822
   81    HB3  LEU  10          3HB       LEU  10  12.280 -12.784  -2.394
   82    HG   LEU  10           HG       LEU  10  11.898 -13.662  -0.166
   83   HD11  LEU  10          1HD1      LEU  10  13.609 -15.795   0.139
   84   HD12  LEU  10          2HD1      LEU  10  12.812 -16.131  -1.398
   85   HD13  LEU  10          3HD1      LEU  10  11.849 -15.878   0.058
   86   HD21  LEU  10          3HD2      LEU  10  14.131 -12.526  -0.972
   87   HD22  LEU  10          1HD2      LEU  10  14.816 -14.098  -0.558
   88   HD23  LEU  10          2HD2      LEU  10  13.968 -13.155   0.668
   89    H    PHE  11           H        PHE  11   9.034 -13.110  -3.148
   90    HA   PHE  11           HA       PHE  11   8.047 -13.473  -0.407
   91    HB2  PHE  11          2HB       PHE  11   7.584 -11.362  -2.497
   92    HB3  PHE  11          3HB       PHE  11   6.472 -11.552  -1.145
   93    HD1  PHE  11           HD2      PHE  11   7.364 -11.322   1.195
   94    HD2  PHE  11           HD1      PHE  11   9.616 -10.228  -2.247
   95    HE1  PHE  11           HE2      PHE  11   8.841  -9.948   2.603
   96    HE2  PHE  11           HE1      PHE  11  11.098  -8.853  -0.844
   97    HZ   PHE  11           HZ       PHE  11  10.711  -8.710   1.584
   98    H    ARG  12           H        ARG  12   7.088 -13.723  -3.795
   99    HA   ARG  12           HA       ARG  12   4.422 -14.311  -3.596
  100    HB2  ARG  12          2HB       ARG  12   4.555 -15.188  -5.730
  101    HB3  ARG  12          3HB       ARG  12   6.021 -14.220  -5.662
  102    HG2  ARG  12          2HG       ARG  12   7.158 -16.406  -4.895
  103    HG3  ARG  12          3HG       ARG  12   5.717 -17.191  -5.546
  104    HD2  ARG  12          2HD       ARG  12   7.035 -15.177  -7.267
  105    HD3  ARG  12          3HD       ARG  12   7.903 -16.689  -7.009
  106    HE   ARG  12           HE       ARG  12   5.631 -16.305  -8.655
  107   HH11  ARG  12          1HH1      ARG  12   7.090 -18.594  -6.475
  108   HH12  ARG  12          2HH1      ARG  12   6.356 -19.973  -7.223
  109   HH21  ARG  12          1HH2      ARG  12   4.658 -18.113  -9.649
  110   HH22  ARG  12          2HH2      ARG  12   4.973 -19.698  -9.029
  111    H    LYS  13           H        LYS  13   7.115 -16.260  -2.609
  112    HA   LYS  13           HA       LYS  13   5.317 -18.522  -2.056
  113    HB2  LYS  13          2HB       LYS  13   8.319 -18.373  -2.337
  114    HB3  LYS  13          3HB       LYS  13   7.482 -19.795  -1.729
  115    HG2  LYS  13          2HG       LYS  13   6.536 -20.280  -3.779
  116    HG3  LYS  13          3HG       LYS  13   6.716 -18.626  -4.368
  117    HD2  LYS  13          2HD       LYS  13   8.564 -19.299  -5.414
  118    HD3  LYS  13          3HD       LYS  13   9.313 -19.475  -3.826
  119    HE2  LYS  13          2HE       LYS  13   7.728 -21.628  -5.221
  120    HE3  LYS  13          3HE       LYS  13   9.486 -21.505  -5.250
  121    HZ1  LYS  13          3HZ       LYS  13   9.133 -22.960  -3.528
  122    HZ2  LYS  13          1HZ       LYS  13   7.713 -22.199  -3.011
  123    HZ3  LYS  13          2HZ       LYS  13   9.216 -21.494  -2.689
  124    H    LEU  14           H        LEU  14   7.723 -16.381  -0.616
  125    HA   LEU  14           HA       LEU  14   7.743 -17.551   1.951
  126    HB2  LEU  14          2HB       LEU  14   9.515 -16.091   1.332
  127    HB3  LEU  14          3HB       LEU  14   8.393 -14.778   0.982
  128    HG   LEU  14           HG       LEU  14   9.813 -14.689   3.139
  129   HD11  LEU  14          1HD1      LEU  14   7.673 -13.368   2.399
  130   HD12  LEU  14          2HD1      LEU  14   8.286 -13.244   4.048
  131   HD13  LEU  14          3HD1      LEU  14   6.914 -14.294   3.695
  132   HD21  LEU  14          3HD2      LEU  14   9.302 -16.013   4.900
  133   HD22  LEU  14          1HD2      LEU  14   8.802 -17.124   3.625
  134   HD23  LEU  14          2HD2      LEU  14   7.599 -16.137   4.456
  135    H    THR  15           H        THR  15   5.975 -14.737   0.676
  136    HA   THR  15           HA       THR  15   4.229 -14.841   3.040
  137    HB   THR  15           HB       THR  15   5.316 -12.670   2.643
  138    HG1  THR  15           HG1      THR  15   3.498 -12.026   3.506
  139   HG21  THR  15          3HG2      THR  15   4.512 -11.324   0.670
  140   HG22  THR  15          1HG2      THR  15   3.876 -12.825  -0.002
  141   HG23  THR  15          2HG2      THR  15   5.608 -12.649   0.277
  142    H    HIS  16           H        HIS  16   4.019 -16.647   0.743
  143    HA   HIS  16           HA       HIS  16   2.064 -15.999  -1.092
  144    HB2  HIS  16          2HB       HIS  16   1.640 -18.378  -1.308
  145    HB3  HIS  16          3HB       HIS  16   3.368 -18.111  -1.090
  146    HD1  HIS  16           HD1      HIS  16   1.097 -20.504  -0.178
  147    HD2  HIS  16           HD2      HIS  16   3.713 -18.186   2.069
  148    HE1  HIS  16           HE1      HIS  16   1.431 -21.761   1.974
  149    H    ARG  17           H        ARG  17   1.748 -16.602   2.302
  150    HA   ARG  17           HA       ARG  17  -0.983 -17.268   2.412
  151    HB2  ARG  17          2HB       ARG  17  -0.826 -16.405   4.781
  152    HB3  ARG  17          3HB       ARG  17   0.336 -17.653   4.350
  153    HG2  ARG  17          2HG       ARG  17   1.343 -14.967   3.876
  154    HG3  ARG  17          3HG       ARG  17   0.904 -15.255   5.561
  155    HD2  ARG  17          2HD       ARG  17   2.507 -17.301   4.098
  156    HD3  ARG  17          3HD       ARG  17   3.303 -15.840   4.679
  157    HE   ARG  17           HE       ARG  17   1.752 -17.058   6.725
  158   HH11  ARG  17          1HH1      ARG  17   4.761 -17.317   4.994
  159   HH12  ARG  17          2HH1      ARG  17   5.587 -18.118   6.288
  160   HH21  ARG  17          1HH2      ARG  17   2.829 -18.113   8.437
  161   HH22  ARG  17          2HH2      ARG  17   4.487 -18.572   8.246
  162    H    LEU  18           H        LEU  18   0.665 -14.244   1.984
  163    HA   LEU  18           HA       LEU  18  -1.868 -12.782   2.286
  164    HB2  LEU  18          2HB       LEU  18   0.786 -11.455   1.939
  165    HB3  LEU  18          3HB       LEU  18  -0.665 -10.855   2.739
  166    HG   LEU  18           HG       LEU  18   1.337 -12.842   3.792
  167   HD11  LEU  18          1HD1      LEU  18   1.353 -11.143   5.672
  168   HD12  LEU  18          2HD1      LEU  18   0.471 -10.075   4.581
  169   HD13  LEU  18          3HD1      LEU  18   2.085 -10.639   4.148
  170   HD21  LEU  18          3HD2      LEU  18  -0.584 -13.807   4.598
  171   HD22  LEU  18          1HD2      LEU  18  -1.470 -12.282   4.626
  172   HD23  LEU  18          2HD2      LEU  18  -0.257 -12.619   5.861
  173    H    PHE  19           H        PHE  19   0.814 -13.389   0.083
  174    HA   PHE  19           HA       PHE  19  -0.495 -11.830  -2.013
  175    HB2  PHE  19          2HB       PHE  19   2.223 -12.508  -1.389
  176    HB3  PHE  19          3HB       PHE  19   1.842 -13.079  -3.010
  177    HD1  PHE  19           HD2      PHE  19   1.133 -11.489  -4.748
  178    HD2  PHE  19           HD1      PHE  19   2.399 -10.188  -0.898
  179    HE1  PHE  19           HE2      PHE  19   1.436  -9.209  -5.622
  180    HE2  PHE  19           HE1      PHE  19   2.704  -7.906  -1.766
  181    HZ   PHE  19           HZ       PHE  19   2.223  -7.414  -4.131
  182    H    ARG  20           H        ARG  20  -1.519 -14.427  -0.975
  183    HA   ARG  20           HA       ARG  20  -1.067 -16.573  -2.649
  184    HB2  ARG  20          2HB       ARG  20  -3.208 -17.419  -1.971
  185    HB3  ARG  20          3HB       ARG  20  -2.498 -16.578  -0.600
  186    HG2  ARG  20          2HG       ARG  20  -3.889 -14.606  -1.144
  187    HG3  ARG  20          3HG       ARG  20  -4.657 -15.546  -2.425
  188    HD2  ARG  20          2HD       ARG  20  -5.090 -17.258  -0.494
  189    HD3  ARG  20          3HD       ARG  20  -4.859 -15.847   0.538
  190    HE   ARG  20           HE       ARG  20  -7.130 -16.428  -1.094
  191   HH11  ARG  20          1HH1      ARG  20  -5.226 -13.851   0.267
  192   HH12  ARG  20          2HH1      ARG  20  -6.528 -12.708   0.257
  193   HH21  ARG  20          1HH2      ARG  20  -8.852 -14.933  -1.112
  194   HH22  ARG  20          2HH2      ARG  20  -8.591 -13.325  -0.527
  195    H    ARG  21           H        ARG  21  -2.907 -13.666  -3.243
  196    HA   ARG  21           HA       ARG  21  -4.418 -14.489  -5.444
  197    HB2  ARG  21          2HB       ARG  21  -3.561 -11.937  -4.277
  198    HB3  ARG  21          3HB       ARG  21  -3.833 -11.868  -6.013
  199    HG2  ARG  21          2HG       ARG  21  -6.068 -12.190  -5.819
  200    HG3  ARG  21          3HG       ARG  21  -5.910 -13.193  -4.375
  201    HD2  ARG  21          2HD       ARG  21  -5.409 -11.203  -3.047
  202    HD3  ARG  21          3HD       ARG  21  -5.553 -10.200  -4.490
  203    HE   ARG  21           HE       ARG  21  -7.689 -11.240  -2.893
  204   HH11  ARG  21          1HH1      ARG  21  -6.787 -10.214  -6.096
  205   HH12  ARG  21          2HH1      ARG  21  -8.406  -9.815  -6.565
  206   HH21  ARG  21          1HH2      ARG  21  -9.825 -10.718  -3.500
  207   HH22  ARG  21          2HH2      ARG  21 -10.133 -10.101  -5.088
  Start of MODEL   15
    1    H1   ARG   1           H        ARG   1   1.419  -0.418   0.038
    2    HA   ARG   1           HA       ARG   1   0.935  -1.330  -2.695
    3    HB2  ARG   1          2HB       ARG   1   1.340   1.370  -2.108
    4    HB3  ARG   1          3HB       ARG   1   2.903   0.799  -2.676
    5    HG2  ARG   1          2HG       ARG   1   0.557  -0.004  -4.276
    6    HG3  ARG   1          3HG       ARG   1   0.984   1.708  -4.300
    7    HD2  ARG   1          2HD       ARG   1   3.418   0.496  -4.600
    8    HD3  ARG   1          3HD       ARG   1   2.349  -0.592  -5.484
    9    HE   ARG   1           HE       ARG   1   1.709   1.962  -6.313
   10   HH11  ARG   1          1HH1      ARG   1   4.510  -0.105  -6.346
   11   HH12  ARG   1          2HH1      ARG   1   5.164   0.586  -7.793
   12   HH21  ARG   1          1HH2      ARG   1   2.560   2.880  -8.219
   13   HH22  ARG   1          2HH2      ARG   1   4.055   2.285  -8.857
   14    H    TRP   2           H        TRP   2   2.056  -3.195  -2.524
   15    HA   TRP   2           HA       TRP   2   4.601  -3.308  -1.168
   16    HB2  TRP   2          2HB       TRP   2   2.631  -5.159  -1.691
   17    HB3  TRP   2          3HB       TRP   2   3.887  -5.604  -2.844
   18    HD1  TRP   2           HD1      TRP   2   6.488  -5.246  -1.224
   19    HE1  TRP   2           HE1      TRP   2   6.997  -6.702   0.836
   20    HE3  TRP   2           HE3      TRP   2   1.728  -6.706  -0.065
   21    HZ2  TRP   2           HZ2      TRP   2   5.570  -8.264   2.705
   22    HZ3  TRP   2           HZ3      TRP   2   1.386  -8.182   1.874
   23    HH2  TRP   2           HH2      TRP   2   3.269  -8.944   3.228
   24    H    SER   3           H        SER   3   6.041  -2.040  -2.291
   25    HA   SER   3           HA       SER   3   6.347  -2.182  -5.127
   26    HB2  SER   3          2HB       SER   3   8.274  -1.068  -3.075
   27    HB3  SER   3          3HB       SER   3   8.268  -0.723  -4.805
   28    HG   SER   3           HG       SER   3   7.090   0.691  -3.056
   29    H    ILE   4           H        ILE   4   6.620  -4.435  -5.491
   30    HA   ILE   4           HA       ILE   4   9.319  -5.411  -4.819
   31    HB   ILE   4           HB       ILE   4   8.411  -7.712  -4.927
   32   HG12  ILE   4          2HG1      ILE   4   5.968  -6.217  -5.638
   33   HG13  ILE   4          3HG1      ILE   4   6.457  -7.850  -6.075
   34   HG21  ILE   4          1HG2      ILE   4   8.647  -6.386  -2.799
   35   HG22  ILE   4          2HG2      ILE   4   6.915  -6.071  -2.898
   36   HG23  ILE   4          3HG2      ILE   4   7.502  -7.726  -2.738
   37   HD11  ILE   4          3HD1      ILE   4   5.838  -8.558  -3.762
   38   HD12  ILE   4          1HD1      ILE   4   5.165  -6.947  -3.518
   39   HD13  ILE   4          2HD1      ILE   4   4.491  -8.005  -4.758
   40    H    THR   5           H        THR   5  10.346  -4.847  -6.692
   41    HA   THR   5           HA       THR   5   9.184  -5.404  -9.274
   42    HB   THR   5           HB       THR   5  10.593  -3.428  -9.009
   43    HG1  THR   5           HG1      THR   5  11.581  -3.703 -10.927
   44   HG21  THR   5          3HG2      THR   5  12.122  -4.743  -7.326
   45   HG22  THR   5          1HG2      THR   5  12.789  -3.441  -8.310
   46   HG23  THR   5          2HG2      THR   5  13.042  -5.121  -8.782
   47    H    THR   6           H        THR   6  11.875  -6.666  -7.335
   48    HA   THR   6           HA       THR   6  11.893  -9.047  -9.073
   49    HB   THR   6           HB       THR   6  14.157  -7.449  -7.981
   50    HG1  THR   6           HG1      THR   6  14.682  -7.484 -10.039
   51   HG21  THR   6          3HG2      THR   6  14.275 -10.437  -8.404
   52   HG22  THR   6          1HG2      THR   6  14.481  -9.592  -6.871
   53   HG23  THR   6          2HG2      THR   6  15.670  -9.387  -8.158
   54    H    ILE   7           H        ILE   7  12.304  -7.783  -5.806
   55    HA   ILE   7           HA       ILE   7  12.822 -10.147  -4.442
   56    HB   ILE   7           HB       ILE   7  12.568  -7.607  -3.645
   57   HG12  ILE   7          2HG1      ILE   7  12.002  -9.811  -1.674
   58   HG13  ILE   7          3HG1      ILE   7  13.556  -9.695  -2.493
   59   HG21  ILE   7          1HG2      ILE   7  10.084  -7.738  -3.898
   60   HG22  ILE   7          2HG2      ILE   7  10.068  -8.892  -2.565
   61   HG23  ILE   7          3HG2      ILE   7  10.633  -7.244  -2.297
   62   HD11  ILE   7          3HD1      ILE   7  13.825  -7.422  -1.580
   63   HD12  ILE   7          1HD1      ILE   7  12.314  -7.630  -0.694
   64   HD13  ILE   7          2HD1      ILE   7  13.698  -8.662  -0.332
   65    H    HIS   8           H        HIS   8   9.975  -9.155  -6.046
   66    HA   HIS   8           HA       HIS   8   7.926 -10.326  -4.628
   67    HB2  HIS   8          2HB       HIS   8   7.873  -9.016  -6.859
   68    HB3  HIS   8          3HB       HIS   8   8.082 -10.590  -7.620
   69    HD1  HIS   8           HD1      HIS   8   5.568  -9.309  -8.379
   70    HD2  HIS   8           HD2      HIS   8   5.881 -11.493  -4.858
   71    HE1  HIS   8           HE1      HIS   8   3.215  -9.972  -7.788
   72    H    ASN   9           H        ASN   9  10.519 -11.852  -6.321
   73    HA   ASN   9           HA       ASN   9   9.293 -14.411  -6.631
   74    HB2  ASN   9          2HB       ASN   9  12.078 -13.341  -6.876
   75    HB3  ASN   9          3HB       ASN   9  11.834 -15.084  -6.803
   76   HD21  ASN   9          1HD2      ASN   9  10.937 -16.138  -8.519
   77   HD22  ASN   9          2HD2      ASN   9  10.619 -15.381 -10.040
   78    H    LEU  10           H        LEU  10  11.402 -12.941  -4.208
   79    HA   LEU  10           HA       LEU  10  11.524 -15.370  -2.644
   80    HB2  LEU  10          2HB       LEU  10  13.462 -13.952  -2.682
   81    HB3  LEU  10          3HB       LEU  10  12.514 -12.571  -2.136
   82    HG   LEU  10           HG       LEU  10  12.276 -13.516   0.052
   83   HD11  LEU  10          1HD1      LEU  10  12.010 -15.854  -0.595
   84   HD12  LEU  10          2HD1      LEU  10  13.237 -15.672   0.658
   85   HD13  LEU  10          3HD1      LEU  10  13.721 -15.937  -1.017
   86   HD21  LEU  10          3HD2      LEU  10  14.944 -13.245  -1.166
   87   HD22  LEU  10          1HD2      LEU  10  14.894 -14.059   0.398
   88   HD23  LEU  10          2HD2      LEU  10  14.242 -12.429   0.232
   89    H    PHE  11           H        PHE  11   9.202 -13.098  -3.108
   90    HA   PHE  11           HA       PHE  11   8.208 -13.292  -0.343
   91    HB2  PHE  11          2HB       PHE  11   7.978 -11.185  -2.440
   92    HB3  PHE  11          3HB       PHE  11   6.630 -11.390  -1.326
   93    HD1  PHE  11           HD2      PHE  11  10.312 -10.890  -1.398
   94    HD2  PHE  11           HD1      PHE  11   6.676 -10.368   0.750
   95    HE1  PHE  11           HE2      PHE  11  11.502  -9.541   0.281
   96    HE2  PHE  11           HE1      PHE  11   7.859  -9.018   2.433
   97    HZ   PHE  11           HZ       PHE  11  10.276  -8.604   2.200
   98    H    ARG  12           H        ARG  12   7.214 -13.450  -3.745
   99    HA   ARG  12           HA       ARG  12   4.571 -14.069  -3.549
  100    HB2  ARG  12          2HB       ARG  12   4.787 -15.305  -5.635
  101    HB3  ARG  12          3HB       ARG  12   5.788 -13.859  -5.679
  102    HG2  ARG  12          2HG       ARG  12   7.751 -15.257  -5.109
  103    HG3  ARG  12          3HG       ARG  12   6.718 -16.683  -5.217
  104    HD2  ARG  12          2HD       ARG  12   7.488 -14.769  -7.405
  105    HD3  ARG  12          3HD       ARG  12   7.822 -16.497  -7.302
  106    HE   ARG  12           HE       ARG  12   5.422 -15.255  -8.258
  107   HH11  ARG  12          1HH1      ARG  12   6.752 -18.120  -6.794
  108   HH12  ARG  12          2HH1      ARG  12   5.494 -19.159  -7.378
  109   HH21  ARG  12          1HH2      ARG  12   3.761 -16.613  -9.032
  110   HH22  ARG  12          2HH2      ARG  12   3.794 -18.301  -8.651
  111    H    LYS  13           H        LYS  13   7.275 -16.083  -2.676
  112    HA   LYS  13           HA       LYS  13   5.474 -18.339  -2.138
  113    HB2  LYS  13          2HB       LYS  13   7.800 -18.426  -3.433
  114    HB3  LYS  13          3HB       LYS  13   8.424 -18.574  -1.795
  115    HG2  LYS  13          2HG       LYS  13   6.631 -20.448  -1.574
  116    HG3  LYS  13          3HG       LYS  13   6.691 -20.447  -3.338
  117    HD2  LYS  13          2HD       LYS  13   9.345 -20.442  -2.663
  118    HD3  LYS  13          3HD       LYS  13   8.636 -21.435  -1.388
  119    HE2  LYS  13          2HE       LYS  13   8.850 -23.100  -2.880
  120    HE3  LYS  13          3HE       LYS  13   7.381 -22.424  -3.581
  121    HZ1  LYS  13          3HZ       LYS  13   9.732 -21.104  -4.525
  122    HZ2  LYS  13          1HZ       LYS  13   8.474 -21.819  -5.402
  123    HZ3  LYS  13          2HZ       LYS  13   9.769 -22.762  -4.859
  124    H    LEU  14           H        LEU  14   7.879 -16.242  -0.621
  125    HA   LEU  14           HA       LEU  14   7.822 -17.448   1.929
  126    HB2  LEU  14          2HB       LEU  14   9.634 -16.010   1.342
  127    HB3  LEU  14          3HB       LEU  14   8.537 -14.665   1.033
  128    HG   LEU  14           HG       LEU  14   9.955 -14.688   3.200
  129   HD11  LEU  14          1HD1      LEU  14   8.452 -13.241   4.163
  130   HD12  LEU  14          2HD1      LEU  14   7.055 -14.218   3.713
  131   HD13  LEU  14          3HD1      LEU  14   7.890 -13.259   2.491
  132   HD21  LEU  14          3HD2      LEU  14   8.895 -17.101   3.611
  133   HD22  LEU  14          1HD2      LEU  14   7.676 -16.123   4.428
  134   HD23  LEU  14          2HD2      LEU  14   9.364 -16.029   4.931
  135    H    THR  15           H        THR  15   6.163 -14.555   0.679
  136    HA   THR  15           HA       THR  15   4.367 -14.652   3.003
  137    HB   THR  15           HB       THR  15   5.494 -12.500   2.638
  138    HG1  THR  15           HG1      THR  15   3.575 -11.245   2.688
  139   HG21  THR  15          3HG2      THR  15   4.746 -11.135   0.648
  140   HG22  THR  15          1HG2      THR  15   4.124 -12.632  -0.044
  141   HG23  THR  15          2HG2      THR  15   5.848 -12.462   0.287
  142    H    HIS  16           H        HIS  16   4.213 -16.385   0.587
  143    HA   HIS  16           HA       HIS  16   2.256 -15.683  -1.214
  144    HB2  HIS  16          2HB       HIS  16   3.664 -17.877  -0.953
  145    HB3  HIS  16          3HB       HIS  16   2.259 -18.448  -0.057
  146    HD1  HIS  16           HD1      HIS  16   0.464 -16.599  -2.220
  147    HD2  HIS  16           HD2      HIS  16   2.920 -19.884  -2.886
  148    HE1  HIS  16           HE1      HIS  16  -0.318 -17.594  -4.393
  149    H    ARG  17           H        ARG  17   1.922 -16.473   2.148
  150    HA   ARG  17           HA       ARG  17  -0.795 -17.151   2.228
  151    HB2  ARG  17          2HB       ARG  17   0.869 -15.743   4.324
  152    HB3  ARG  17          3HB       ARG  17  -0.692 -16.501   4.606
  153    HG2  ARG  17          2HG       ARG  17   0.287 -18.450   4.964
  154    HG3  ARG  17          3HG       ARG  17   1.039 -18.395   3.368
  155    HD2  ARG  17          2HD       ARG  17   3.011 -17.580   4.174
  156    HD3  ARG  17          3HD       ARG  17   2.238 -16.733   5.513
  157    HE   ARG  17           HE       ARG  17   2.146 -19.601   5.731
  158   HH11  ARG  17          1HH1      ARG  17   3.989 -16.724   6.399
  159   HH12  ARG  17          2HH1      ARG  17   4.878 -17.439   7.703
  160   HH21  ARG  17          1HH2      ARG  17   3.310 -20.554   7.445
  161   HH22  ARG  17          2HH2      ARG  17   4.492 -19.618   8.296
  162    H    LEU  18           H        LEU  18   0.812 -14.076   1.950
  163    HA   LEU  18           HA       LEU  18  -1.725 -12.651   2.314
  164    HB2  LEU  18          2HB       LEU  18   0.922 -11.333   1.856
  165    HB3  LEU  18          3HB       LEU  18  -0.504 -10.703   2.678
  166    HG   LEU  18           HG       LEU  18   1.522 -12.671   3.716
  167   HD11  LEU  18          1HD1      LEU  18   2.307 -10.542   4.149
  168   HD12  LEU  18          2HD1      LEU  18   1.403 -10.913   5.616
  169   HD13  LEU  18          3HD1      LEU  18   0.690  -9.878   4.380
  170   HD21  LEU  18          3HD2      LEU  18  -1.304 -12.297   4.460
  171   HD22  LEU  18          1HD2      LEU  18  -0.153 -12.304   5.796
  172   HD23  LEU  18          2HD2      LEU  18  -0.237 -13.682   4.698
  173    H    PHE  19           H        PHE  19   0.788 -13.324  -0.041
  174    HA   PHE  19           HA       PHE  19  -0.574 -11.699  -2.052
  175    HB2  PHE  19          2HB       PHE  19   2.144 -12.532  -1.606
  176    HB3  PHE  19          3HB       PHE  19   1.624 -13.039  -3.210
  177    HD1  PHE  19           HD2      PHE  19   0.956 -11.385  -4.879
  178    HD2  PHE  19           HD1      PHE  19   2.421 -10.222  -1.056
  179    HE1  PHE  19           HE2      PHE  19   1.329  -9.103  -5.720
  180    HE2  PHE  19           HE1      PHE  19   2.796  -7.938  -1.891
  181    HZ   PHE  19           HZ       PHE  19   2.251  -7.376  -4.226
  182    H    ARG  20           H        ARG  20  -1.657 -14.245  -0.951
  183    HA   ARG  20           HA       ARG  20  -1.403 -16.367  -2.739
  184    HB2  ARG  20          2HB       ARG  20  -3.598 -17.117  -1.880
  185    HB3  ARG  20          3HB       ARG  20  -2.498 -16.640  -0.594
  186    HG2  ARG  20          2HG       ARG  20  -4.192 -15.433   0.192
  187    HG3  ARG  20          3HG       ARG  20  -3.852 -14.313  -1.129
  188    HD2  ARG  20          2HD       ARG  20  -5.605 -15.071  -2.404
  189    HD3  ARG  20          3HD       ARG  20  -5.594 -16.669  -1.660
  190    HE   ARG  20           HE       ARG  20  -7.069 -14.373  -0.792
  191   HH11  ARG  20          1HH1      ARG  20  -5.566 -17.337   0.247
  192   HH12  ARG  20          2HH1      ARG  20  -6.584 -17.518   1.637
  193   HH21  ARG  20          1HH2      ARG  20  -8.415 -14.601   1.035
  194   HH22  ARG  20          2HH2      ARG  20  -8.205 -15.962   2.084
  195    H    ARG  21           H        ARG  21  -3.128 -13.377  -3.025
  196    HA   ARG  21           HA       ARG  21  -4.768 -14.274  -5.232
  197    HB2  ARG  21          2HB       ARG  21  -4.688 -11.994  -3.465
  198    HB3  ARG  21          3HB       ARG  21  -4.782 -11.465  -5.140
  199    HG2  ARG  21          2HG       ARG  21  -6.872 -12.288  -5.431
  200    HG3  ARG  21          3HG       ARG  21  -6.621 -13.627  -4.310
  201    HD2  ARG  21          2HD       ARG  21  -8.030 -12.372  -3.042
  202    HD3  ARG  21          3HD       ARG  21  -6.503 -11.632  -2.562
  203    HE   ARG  21           HE       ARG  21  -7.290 -10.158  -4.701
  204   HH11  ARG  21          1HH1      ARG  21  -8.803 -11.078  -1.704
  205   HH12  ARG  21          2HH1      ARG  21  -9.773  -9.646  -1.603
  206   HH21  ARG  21          1HH2      ARG  21  -8.560  -8.267  -4.578
  207   HH22  ARG  21          2HH2      ARG  21  -9.634  -8.048  -3.238
  Start of MODEL   16
    1    H1   ARG   1           H        ARG   1   2.203   0.334   0.505
    2    HA   ARG   1           HA       ARG   1   1.216  -1.075  -1.880
    3    HB2  ARG   1          2HB       ARG   1   2.799   1.471  -1.741
    4    HB3  ARG   1          3HB       ARG   1   2.969   0.397  -3.123
    5    HG2  ARG   1          2HG       ARG   1   0.601   0.592  -3.602
    6    HG3  ARG   1          3HG       ARG   1   0.381   1.608  -2.176
    7    HD2  ARG   1          2HD       ARG   1   0.513   3.131  -3.940
    8    HD3  ARG   1          3HD       ARG   1   2.130   3.147  -3.239
    9    HE   ARG   1           HE       ARG   1   2.934   2.363  -5.222
   10   HH11  ARG   1          1HH1      ARG   1  -0.472   1.664  -5.050
   11   HH12  ARG   1          2HH1      ARG   1  -0.560   1.046  -6.667
   12   HH21  ARG   1          1HH2      ARG   1   2.831   1.551  -7.352
   13   HH22  ARG   1          2HH2      ARG   1   1.320   0.982  -7.974
   14    H    TRP   2           H        TRP   2   2.620  -2.531  -2.806
   15    HA   TRP   2           HA       TRP   2   5.111  -3.022  -1.310
   16    HB2  TRP   2          2HB       TRP   2   2.958  -4.730  -1.647
   17    HB3  TRP   2          3HB       TRP   2   4.106  -5.281  -2.864
   18    HD1  TRP   2           HD1      TRP   2   6.822  -5.077  -1.423
   19    HE1  TRP   2           HE1      TRP   2   7.363  -6.522   0.637
   20    HE3  TRP   2           HE3      TRP   2   2.058  -6.171   0.075
   21    HZ2  TRP   2           HZ2      TRP   2   5.957  -7.939   2.632
   22    HZ3  TRP   2           HZ3      TRP   2   1.743  -7.578   2.069
   23    HH2  TRP   2           HH2      TRP   2   3.653  -8.443   3.319
   24    H    SER   3           H        SER   3   6.624  -2.019  -2.535
   25    HA   SER   3           HA       SER   3   6.614  -2.367  -5.427
   26    HB2  SER   3          2HB       SER   3   8.747  -0.890  -3.915
   27    HB3  SER   3          3HB       SER   3   8.130  -0.594  -5.540
   28    HG   SER   3           HG       SER   3   6.363   0.374  -4.709
   29    H    ILE   4           H        ILE   4   7.117  -4.571  -5.598
   30    HA   ILE   4           HA       ILE   4   9.891  -5.249  -4.864
   31    HB   ILE   4           HB       ILE   4   9.104  -7.651  -4.879
   32   HG12  ILE   4          2HG1      ILE   4   6.873  -6.813  -6.033
   33   HG13  ILE   4          3HG1      ILE   4   6.873  -8.212  -4.964
   34   HG21  ILE   4          1HG2      ILE   4   9.583  -6.450  -2.817
   35   HG22  ILE   4          2HG2      ILE   4   7.942  -5.807  -2.796
   36   HG23  ILE   4          3HG2      ILE   4   8.213  -7.539  -2.601
   37   HD11  ILE   4          3HD1      ILE   4   5.835  -7.064  -3.253
   38   HD12  ILE   4          1HD1      ILE   4   6.322  -5.488  -3.877
   39   HD13  ILE   4          2HD1      ILE   4   5.055  -6.406  -4.691
   40    H    THR   5           H        THR   5  10.866  -4.744  -6.786
   41    HA   THR   5           HA       THR   5   9.896  -5.195  -9.349
   42    HB   THR   5           HB       THR   5  11.754  -3.874  -9.452
   43    HG1  THR   5           HG1      THR   5  13.328  -6.172  -9.714
   44   HG21  THR   5          3HG2      THR   5  13.925  -4.832  -8.168
   45   HG22  THR   5          1HG2      THR   5  12.647  -5.491  -7.149
   46   HG23  THR   5          2HG2      THR   5  12.749  -3.752  -7.421
   47    H    THR   6           H        THR   6  12.646  -7.069  -8.129
   48    HA   THR   6           HA       THR   6  11.559  -9.420  -9.514
   49    HB   THR   6           HB       THR   6  14.321  -8.482  -8.928
   50    HG1  THR   6           HG1      THR   6  14.489  -8.786 -11.043
   51   HG21  THR   6          3HG2      THR   6  13.553 -11.395  -9.117
   52   HG22  THR   6          1HG2      THR   6  14.341 -10.592  -7.760
   53   HG23  THR   6          2HG2      THR   6  15.197 -10.782  -9.290
   54    H    ILE   7           H        ILE   7  12.752  -8.278  -6.416
   55    HA   ILE   7           HA       ILE   7  13.005 -10.640  -5.012
   56    HB   ILE   7           HB       ILE   7  13.407  -8.211  -4.229
   57   HG12  ILE   7          2HG1      ILE   7  12.125 -10.031  -2.196
   58   HG13  ILE   7          3HG1      ILE   7  13.684 -10.398  -2.925
   59   HG21  ILE   7          1HG2      ILE   7  11.059  -7.502  -4.564
   60   HG22  ILE   7          2HG2      ILE   7  10.582  -8.567  -3.243
   61   HG23  ILE   7          3HG2      ILE   7  11.650  -7.199  -2.930
   62   HD11  ILE   7          3HD1      ILE   7  14.682  -8.485  -1.966
   63   HD12  ILE   7          1HD1      ILE   7  13.119  -7.827  -1.481
   64   HD13  ILE   7          2HD1      ILE   7  13.754  -9.268  -0.687
   65    H    HIS   8           H        HIS   8  10.161  -9.205  -6.282
   66    HA   HIS   8           HA       HIS   8   8.131  -9.979  -4.632
   67    HB2  HIS   8          2HB       HIS   8   7.900  -8.783  -6.828
   68    HB3  HIS   8          3HB       HIS   8   8.072 -10.340  -7.633
   69    HD1  HIS   8           HD1      HIS   8   5.591  -9.486  -8.500
   70    HD2  HIS   8           HD2      HIS   8   5.914 -10.837  -4.585
   71    HE1  HIS   8           HE1      HIS   8   3.244 -10.033  -7.783
   72    H    ASN   9           H        ASN   9  10.163 -12.017  -6.598
   73    HA   ASN   9           HA       ASN   9   8.579 -14.351  -6.555
   74    HB2  ASN   9          2HB       ASN   9  11.269 -13.611  -7.364
   75    HB3  ASN   9          3HB       ASN   9  11.235 -15.206  -6.618
   76   HD21  ASN   9          1HD2      ASN   9   9.863 -16.812  -7.526
   77   HD22  ASN   9          2HD2      ASN   9   9.407 -16.733  -9.191
   78    H    LEU  10           H        LEU  10  11.168 -13.202  -4.420
   79    HA   LEU  10           HA       LEU  10  11.125 -15.482  -2.722
   80    HB2  LEU  10          2HB       LEU  10  13.101 -14.183  -2.764
   81    HB3  LEU  10          3HB       LEU  10  12.217 -12.700  -2.411
   82    HG   LEU  10           HG       LEU  10  11.814 -13.463  -0.134
   83   HD11  LEU  10          1HD1      LEU  10  12.750 -15.498   0.725
   84   HD12  LEU  10          2HD1      LEU  10  13.496 -15.864  -0.830
   85   HD13  LEU  10          3HD1      LEU  10  11.740 -15.884  -0.667
   86   HD21  LEU  10          3HD2      LEU  10  14.287 -13.633   0.564
   87   HD22  LEU  10          1HD2      LEU  10  13.748 -12.177  -0.273
   88   HD23  LEU  10          2HD2      LEU  10  14.632 -13.424  -1.153
   89    H    PHE  11           H        PHE  11   8.955 -12.969  -3.133
   90    HA   PHE  11           HA       PHE  11   7.980 -13.126  -0.369
   91    HB2  PHE  11          2HB       PHE  11   7.576 -11.138  -2.586
   92    HB3  PHE  11          3HB       PHE  11   6.451 -11.213  -1.233
   93    HD1  PHE  11           HD2      PHE  11   7.322 -10.845   1.090
   94    HD2  PHE  11           HD1      PHE  11   9.652 -10.068  -2.386
   95    HE1  PHE  11           HE2      PHE  11   8.830  -9.429   2.422
   96    HE2  PHE  11           HE1      PHE  11  11.164  -8.651  -1.059
   97    HZ   PHE  11           HZ       PHE  11  10.754  -8.329   1.348
   98    H    ARG  12           H        ARG  12   6.978 -13.553  -3.728
   99    HA   ARG  12           HA       ARG  12   4.300 -14.052  -3.470
  100    HB2  ARG  12          2HB       ARG  12   4.386 -15.069  -5.545
  101    HB3  ARG  12          3HB       ARG  12   5.876 -14.135  -5.552
  102    HG2  ARG  12          2HG       ARG  12   6.964 -16.298  -4.655
  103    HG3  ARG  12          3HG       ARG  12   5.501 -17.084  -5.251
  104    HD2  ARG  12          2HD       ARG  12   6.864 -15.212  -7.094
  105    HD3  ARG  12          3HD       ARG  12   7.687 -16.733  -6.753
  106    HE   ARG  12           HE       ARG  12   5.416 -16.376  -8.407
  107   HH11  ARG  12          1HH1      ARG  12   6.820 -18.577  -6.104
  108   HH12  ARG  12          2HH1      ARG  12   6.039 -19.974  -6.767
  109   HH21  ARG  12          1HH2      ARG  12   4.382 -18.207  -9.289
  110   HH22  ARG  12          2HH2      ARG  12   4.653 -19.763  -8.579
  111    H    LYS  13           H        LYS  13   6.945 -16.016  -2.390
  112    HA   LYS  13           HA       LYS  13   5.087 -18.183  -1.677
  113    HB2  LYS  13          2HB       LYS  13   8.089 -18.146  -1.995
  114    HB3  LYS  13          3HB       LYS  13   7.214 -19.502  -1.296
  115    HG2  LYS  13          2HG       LYS  13   6.236 -20.081  -3.305
  116    HG3  LYS  13          3HG       LYS  13   6.453 -18.470  -3.992
  117    HD2  LYS  13          2HD       LYS  13   8.288 -19.224  -5.000
  118    HD3  LYS  13          3HD       LYS  13   9.031 -19.391  -3.408
  119    HE2  LYS  13          2HE       LYS  13   8.205 -21.665  -3.234
  120    HE3  LYS  13          3HE       LYS  13   7.368 -21.503  -4.777
  121    HZ1  LYS  13          3HZ       LYS  13  10.194 -21.924  -4.236
  122    HZ2  LYS  13          1HZ       LYS  13   9.832 -20.876  -5.514
  123    HZ3  LYS  13          2HZ       LYS  13   9.246 -22.463  -5.530
  124    H    LEU  14           H        LEU  14   7.570 -16.028  -0.400
  125    HA   LEU  14           HA       LEU  14   7.596 -17.036   2.234
  126    HB2  LEU  14          2HB       LEU  14   9.388 -15.654   1.487
  127    HB3  LEU  14          3HB       LEU  14   8.285 -14.334   1.102
  128    HG   LEU  14           HG       LEU  14   9.764 -14.180   3.219
  129   HD11  LEU  14          1HD1      LEU  14   6.884 -13.678   3.800
  130   HD12  LEU  14          2HD1      LEU  14   7.657 -12.827   2.463
  131   HD13  LEU  14          3HD1      LEU  14   8.291 -12.658   4.100
  132   HD21  LEU  14          3HD2      LEU  14   7.538 -15.510   4.642
  133   HD22  LEU  14          1HD2      LEU  14   9.247 -15.391   5.061
  134   HD23  LEU  14          2HD2      LEU  14   8.716 -16.558   3.850
  135    H    THR  15           H        THR  15   5.878 -14.260   0.814
  136    HA   THR  15           HA       THR  15   4.186 -14.145   3.212
  137    HB   THR  15           HB       THR  15   5.268 -12.032   2.581
  138    HG1  THR  15           HG1      THR  15   2.471 -11.925   2.050
  139   HG21  THR  15          3HG2      THR  15   4.360 -10.887   0.494
  140   HG22  THR  15          1HG2      THR  15   3.813 -12.484  -0.015
  141   HG23  THR  15          2HG2      THR  15   5.532 -12.180   0.239
  142    H    HIS  16           H        HIS  16   3.890 -16.162   1.108
  143    HA   HIS  16           HA       HIS  16   1.885 -15.678  -0.721
  144    HB2  HIS  16          2HB       HIS  16   3.213 -17.806  -0.445
  145    HB3  HIS  16          3HB       HIS  16   2.135 -18.228   0.881
  146    HD1  HIS  16           HD1      HIS  16   0.042 -19.427   0.265
  147    HD2  HIS  16           HD2      HIS  16   1.797 -17.553  -3.001
  148    HE1  HIS  16           HE1      HIS  16  -1.296 -20.165  -1.732
  149    H    ARG  17           H        ARG  17   1.665 -15.967   2.727
  150    HA   ARG  17           HA       ARG  17  -1.065 -16.577   2.981
  151    HB2  ARG  17          2HB       ARG  17   0.841 -15.091   4.787
  152    HB3  ARG  17          3HB       ARG  17  -0.819 -15.448   5.244
  153    HG2  ARG  17          2HG       ARG  17  -0.214 -17.459   5.930
  154    HG3  ARG  17          3HG       ARG  17   0.388 -17.848   4.317
  155    HD2  ARG  17          2HD       ARG  17   2.555 -17.142   4.828
  156    HD3  ARG  17          3HD       ARG  17   2.020 -16.218   6.231
  157    HE   ARG  17           HE       ARG  17   1.543 -19.036   6.479
  158   HH11  ARG  17          1HH1      ARG  17   3.890 -16.496   6.884
  159   HH12  ARG  17          2HH1      ARG  17   4.805 -17.354   8.079
  160   HH21  ARG  17          1HH2      ARG  17   2.740 -20.175   8.051
  161   HH22  ARG  17          2HH2      ARG  17   4.151 -19.447   8.741
  162    H    LEU  18           H        LEU  18   0.594 -13.621   2.223
  163    HA   LEU  18           HA       LEU  18  -1.922 -12.116   2.440
  164    HB2  LEU  18          2HB       LEU  18   0.722 -10.838   1.899
  165    HB3  LEU  18          3HB       LEU  18  -0.701 -10.169   2.695
  166    HG   LEU  18           HG       LEU  18   1.330 -12.072   3.847
  167   HD11  LEU  18          1HD1      LEU  18   1.423 -10.203   5.564
  168   HD12  LEU  18          2HD1      LEU  18   0.532  -9.229   4.395
  169   HD13  LEU  18          3HD1      LEU  18   2.124  -9.866   3.981
  170   HD21  LEU  18          3HD2      LEU  18  -0.402 -12.937   4.986
  171   HD22  LEU  18          1HD2      LEU  18  -1.469 -11.590   4.588
  172   HD23  LEU  18          2HD2      LEU  18  -0.314 -11.438   5.912
  173    H    PHE  19           H        PHE  19   0.750 -12.866   0.251
  174    HA   PHE  19           HA       PHE  19  -0.728 -11.635  -1.963
  175    HB2  PHE  19          2HB       PHE  19   2.140 -12.294  -1.481
  176    HB3  PHE  19          3HB       PHE  19   1.559 -12.301  -3.143
  177    HD1  PHE  19           HD2      PHE  19   0.296 -10.059  -0.509
  178    HD2  PHE  19           HD1      PHE  19   2.812 -10.445  -3.921
  179    HE1  PHE  19           HE2      PHE  19   0.541  -7.613  -0.601
  180    HE2  PHE  19           HE1      PHE  19   3.062  -7.999  -4.017
  181    HZ   PHE  19           HZ       PHE  19   1.925  -6.579  -2.356
  182    H    ARG  20           H        ARG  20  -1.677 -14.074  -0.855
  183    HA   ARG  20           HA       ARG  20  -0.871 -16.408  -2.086
  184    HB2  ARG  20          2HB       ARG  20  -3.135 -17.241  -1.705
  185    HB3  ARG  20          3HB       ARG  20  -2.569 -16.321  -0.318
  186    HG2  ARG  20          2HG       ARG  20  -4.599 -15.373  -0.459
  187    HG3  ARG  20          3HG       ARG  20  -3.822 -14.376  -1.691
  188    HD2  ARG  20          2HD       ARG  20  -5.956 -15.239  -2.487
  189    HD3  ARG  20          3HD       ARG  20  -4.619 -15.899  -3.427
  190    HE   ARG  20           HE       ARG  20  -5.074 -17.747  -1.461
  191   HH11  ARG  20          1HH1      ARG  20  -6.987 -16.264  -3.964
  192   HH12  ARG  20          2HH1      ARG  20  -8.021 -17.639  -4.168
  193   HH21  ARG  20          1HH2      ARG  20  -6.429 -19.563  -1.722
  194   HH22  ARG  20          2HH2      ARG  20  -7.703 -19.514  -2.892
  195    H    ARG  21           H        ARG  21  -2.714 -13.747  -3.396
  196    HA   ARG  21           HA       ARG  21  -3.737 -15.043  -5.683
  197    HB2  ARG  21          2HB       ARG  21  -3.195 -12.171  -4.987
  198    HB3  ARG  21          3HB       ARG  21  -3.744 -12.617  -6.598
  199    HG2  ARG  21          2HG       ARG  21  -5.831 -13.184  -5.885
  200    HG3  ARG  21          3HG       ARG  21  -5.276 -13.643  -4.274
  201    HD2  ARG  21          2HD       ARG  21  -4.845 -10.828  -4.815
  202    HD3  ARG  21          3HD       ARG  21  -6.541 -11.279  -4.983
  203    HE   ARG  21           HE       ARG  21  -5.044 -11.103  -2.558
  204   HH11  ARG  21          1HH1      ARG  21  -7.674 -12.759  -4.126
  205   HH12  ARG  21          2HH1      ARG  21  -8.484 -13.149  -2.644
  206   HH21  ARG  21          1HH2      ARG  21  -6.099 -11.611  -0.601
  207   HH22  ARG  21          2HH2      ARG  21  -7.587 -12.495  -0.640
  Start of MODEL   17
    1    H1   ARG   1           H        ARG   1   1.150  -1.020   0.002
    2    HA   ARG   1           HA       ARG   1   0.996  -1.223  -2.930
    3    HB2  ARG   1          2HB       ARG   1   2.362   0.953  -1.335
    4    HB3  ARG   1          3HB       ARG   1   2.482   0.756  -3.079
    5    HG2  ARG   1          2HG       ARG   1  -0.133   0.889  -2.961
    6    HG3  ARG   1          3HG       ARG   1   0.195   1.701  -1.429
    7    HD2  ARG   1          2HD       ARG   1   1.810   2.608  -3.716
    8    HD3  ARG   1          3HD       ARG   1   0.084   2.951  -3.827
    9    HE   ARG   1           HE       ARG   1   0.838   3.743  -1.303
   10   HH11  ARG   1          1HH1      ARG   1   1.737   4.539  -4.571
   11   HH12  ARG   1          2HH1      ARG   1   2.166   6.175  -4.193
   12   HH21  ARG   1          1HH2      ARG   1   1.398   5.895  -0.794
   13   HH22  ARG   1          2HH2      ARG   1   1.973   6.945  -2.044
   14    H    TRP   2           H        TRP   2   1.959  -3.311  -2.681
   15    HA   TRP   2           HA       TRP   2   4.618  -3.475  -1.536
   16    HB2  TRP   2          2HB       TRP   2   2.560  -5.292  -1.849
   17    HB3  TRP   2          3HB       TRP   2   3.714  -5.784  -3.086
   18    HD1  TRP   2           HD1      TRP   2   6.437  -5.399  -1.653
   19    HE1  TRP   2           HE1      TRP   2   7.083  -6.836   0.382
   20    HE3  TRP   2           HE3      TRP   2   1.765  -6.845  -0.164
   21    HZ2  TRP   2           HZ2      TRP   2   5.785  -8.379   2.356
   22    HZ3  TRP   2           HZ3      TRP   2   1.554  -8.302   1.807
   23    HH2  TRP   2           HH2      TRP   2   3.523  -9.053   3.040
   24    H    SER   3           H        SER   3   6.104  -2.438  -2.753
   25    HA   SER   3           HA       SER   3   6.103  -2.790  -5.649
   26    HB2  SER   3          2HB       SER   3   8.152  -1.186  -4.151
   27    HB3  SER   3          3HB       SER   3   7.513  -0.935  -5.776
   28    HG   SER   3           HG       SER   3   5.427  -0.625  -4.450
   29    H    ILE   4           H        ILE   4   6.717  -4.979  -5.766
   30    HA   ILE   4           HA       ILE   4   9.533  -5.483  -5.054
   31    HB   ILE   4           HB       ILE   4   8.881  -7.925  -4.999
   32   HG12  ILE   4          2HG1      ILE   4   6.590  -7.244  -6.135
   33   HG13  ILE   4          3HG1      ILE   4   6.683  -8.609  -5.027
   34   HG21  ILE   4          1HG2      ILE   4   9.328  -6.653  -2.975
   35   HG22  ILE   4          2HG2      ILE   4   7.657  -6.092  -2.941
   36   HG23  ILE   4          3HG2      ILE   4   8.018  -7.802  -2.708
   37   HD11  ILE   4          3HD1      ILE   4   5.607  -7.473  -3.334
   38   HD12  ILE   4          1HD1      ILE   4   6.004  -5.890  -4.002
   39   HD13  ILE   4          2HD1      ILE   4   4.775  -6.891  -4.776
   40    H    THR   5           H        THR   5  10.448  -4.970  -7.005
   41    HA   THR   5           HA       THR   5   9.470  -5.542  -9.541
   42    HB   THR   5           HB       THR   5  11.251  -4.124  -9.706
   43    HG1  THR   5           HG1      THR   5  12.701  -5.173 -10.918
   44   HG21  THR   5          3HG2      THR   5  12.259  -3.895  -7.690
   45   HG22  THR   5          1HG2      THR   5  13.489  -4.917  -8.431
   46   HG23  THR   5          2HG2      THR   5  12.268  -5.630  -7.377
   47    H    THR   6           H        THR   6  12.342  -7.227  -8.327
   48    HA   THR   6           HA       THR   6  11.362  -9.672  -9.627
   49    HB   THR   6           HB       THR   6  14.075  -8.561  -9.132
   50    HG1  THR   6           HG1      THR   6  13.332  -8.503 -11.223
   51   HG21  THR   6          3HG2      THR   6  13.471 -11.517  -9.197
   52   HG22  THR   6          1HG2      THR   6  14.257 -10.620  -7.898
   53   HG23  THR   6          2HG2      THR   6  15.073 -10.824  -9.449
   54    H    ILE   7           H        ILE   7  12.545  -8.380  -6.586
   55    HA   ILE   7           HA       ILE   7  12.969 -10.679  -5.124
   56    HB   ILE   7           HB       ILE   7  13.219  -8.206  -4.414
   57   HG12  ILE   7          2HG1      ILE   7  12.103 -10.065  -2.317
   58   HG13  ILE   7          3HG1      ILE   7  13.678 -10.324  -3.058
   59   HG21  ILE   7          1HG2      ILE   7  10.827  -7.660  -4.720
   60   HG22  ILE   7          2HG2      ILE   7  10.439  -8.729  -3.373
   61   HG23  ILE   7          3HG2      ILE   7  11.417  -7.287  -3.100
   62   HD11  ILE   7          3HD1      ILE   7  14.602  -8.475  -2.049
   63   HD12  ILE   7          1HD1      ILE   7  13.040  -7.692  -1.812
   64   HD13  ILE   7          2HD1      ILE   7  13.500  -9.065  -0.805
   65    H    HIS   8           H        HIS   8  10.012  -9.454  -6.368
   66    HA   HIS   8           HA       HIS   8   8.071 -10.331  -4.661
   67    HB2  HIS   8          2HB       HIS   8   7.732  -9.185  -6.879
   68    HB3  HIS   8          3HB       HIS   8   7.958 -10.752  -7.651
   69    HD1  HIS   8           HD1      HIS   8   5.406  -9.980  -8.445
   70    HD2  HIS   8           HD2      HIS   8   5.922 -11.335  -4.552
   71    HE1  HIS   8           HE1      HIS   8   3.111 -10.637  -7.653
   72    H    ASN   9           H        ASN   9  10.200 -12.261  -6.628
   73    HA   ASN   9           HA       ASN   9   8.772 -14.691  -6.542
   74    HB2  ASN   9          2HB       ASN   9  11.320 -13.778  -7.484
   75    HB3  ASN   9          3HB       ASN   9  11.550 -15.263  -6.566
   76   HD21  ASN   9          1HD2      ASN   9  10.228 -13.827  -9.405
   77   HD22  ASN   9          2HD2      ASN   9   9.775 -15.295 -10.196
   78    H    LEU  10           H        LEU  10  11.299 -13.357  -4.440
   79    HA   LEU  10           HA       LEU  10  11.397 -15.613  -2.709
   80    HB2  LEU  10          2HB       LEU  10  13.299 -14.208  -2.787
   81    HB3  LEU  10          3HB       LEU  10  12.337 -12.770  -2.448
   82    HG   LEU  10           HG       LEU  10  11.995 -13.517  -0.157
   83   HD11  LEU  10          1HD1      LEU  10  12.054 -15.952  -0.674
   84   HD12  LEU  10          2HD1      LEU  10  13.018 -15.488   0.728
   85   HD13  LEU  10          3HD1      LEU  10  13.808 -15.832  -0.811
   86   HD21  LEU  10          3HD2      LEU  10  13.830 -12.189  -0.092
   87   HD22  LEU  10          1HD2      LEU  10  14.700 -13.142  -1.294
   88   HD23  LEU  10          2HD2      LEU  10  14.608 -13.702   0.375
   89    H    PHE  11           H        PHE  11   9.091 -13.225  -3.138
   90    HA   PHE  11           HA       PHE  11   8.150 -13.385  -0.363
   91    HB2  PHE  11          2HB       PHE  11   7.598 -11.479  -2.620
   92    HB3  PHE  11          3HB       PHE  11   6.502 -11.587  -1.246
   93    HD1  PHE  11           HD1      PHE  11   7.400 -11.128   1.056
   94    HD2  PHE  11           HD2      PHE  11   9.596 -10.266  -2.486
   95    HE1  PHE  11           HE1      PHE  11   8.841  -9.592   2.328
   96    HE2  PHE  11           HE2      PHE  11  11.042  -8.730  -1.220
   97    HZ   PHE  11           HZ       PHE  11  10.666  -8.392   1.191
   98    H    ARG  12           H        ARG  12   7.126 -13.926  -3.702
   99    HA   ARG  12           HA       ARG  12   4.492 -14.589  -3.395
  100    HB2  ARG  12          2HB       ARG  12   4.611 -15.648  -5.451
  101    HB3  ARG  12          3HB       ARG  12   6.025 -14.604  -5.503
  102    HG2  ARG  12          2HG       ARG  12   7.270 -16.681  -4.565
  103    HG3  ARG  12          3HG       ARG  12   5.871 -17.565  -5.180
  104    HD2  ARG  12          2HD       ARG  12   6.918 -15.637  -7.091
  105    HD3  ARG  12          3HD       ARG  12   8.112 -16.846  -6.621
  106    HE   ARG  12           HE       ARG  12   5.802 -18.241  -7.177
  107   HH11  ARG  12          1HH1      ARG  12   7.948 -16.102  -8.892
  108   HH12  ARG  12          2HH1      ARG  12   7.650 -16.831 -10.436
  109   HH21  ARG  12          1HH2      ARG  12   5.402 -19.208  -9.204
  110   HH22  ARG  12          2HH2      ARG  12   6.202 -18.597 -10.612
  111    H    LYS  13           H        LYS  13   7.272 -16.378  -2.339
  112    HA   LYS  13           HA       LYS  13   5.569 -18.650  -1.577
  113    HB2  LYS  13          2HB       LYS  13   7.864 -18.788  -2.916
  114    HB3  LYS  13          3HB       LYS  13   8.534 -18.747  -1.291
  115    HG2  LYS  13          2HG       LYS  13   6.818 -20.651  -0.833
  116    HG3  LYS  13          3HG       LYS  13   6.838 -20.827  -2.589
  117    HD2  LYS  13          2HD       LYS  13   9.505 -20.658  -1.986
  118    HD3  LYS  13          3HD       LYS  13   8.861 -21.544  -0.601
  119    HE2  LYS  13          2HE       LYS  13   9.246 -23.295  -2.005
  120    HE3  LYS  13          3HE       LYS  13   7.610 -22.882  -2.517
  121    HZ1  LYS  13          3HZ       LYS  13   9.137 -23.204  -4.390
  122    HZ2  LYS  13          1HZ       LYS  13  10.092 -21.922  -3.835
  123    HZ3  LYS  13          2HZ       LYS  13   8.508 -21.634  -4.352
  124    H    LEU  14           H        LEU  14   7.924 -16.334  -0.324
  125    HA   LEU  14           HA       LEU  14   7.972 -17.294   2.328
  126    HB2  LEU  14          2HB       LEU  14   9.713 -15.854   1.591
  127    HB3  LEU  14          3HB       LEU  14   8.565 -14.596   1.137
  128    HG   LEU  14           HG       LEU  14   9.985 -14.306   3.278
  129   HD11  LEU  14          1HD1      LEU  14   7.824 -13.086   2.434
  130   HD12  LEU  14          2HD1      LEU  14   8.432 -12.819   4.067
  131   HD13  LEU  14          3HD1      LEU  14   7.079 -13.917   3.800
  132   HD21  LEU  14          3HD2      LEU  14   9.017 -16.709   3.964
  133   HD22  LEU  14          1HD2      LEU  14   7.796 -15.679   4.710
  134   HD23  LEU  14          2HD2      LEU  14   9.495 -15.487   5.144
  135    H    THR  15           H        THR  15   6.153 -14.617   0.846
  136    HA   THR  15           HA       THR  15   4.406 -14.579   3.212
  137    HB   THR  15           HB       THR  15   5.454 -12.424   2.669
  138    HG1  THR  15           HG1      THR  15   3.398 -11.247   2.463
  139   HG21  THR  15          3HG2      THR  15   4.682 -11.231   0.604
  140   HG22  THR  15          1HG2      THR  15   4.020 -12.764   0.036
  141   HG23  THR  15          2HG2      THR  15   5.756 -12.596   0.300
  142    H    HIS  16           H        HIS  16   4.270 -16.506   0.960
  143    HA   HIS  16           HA       HIS  16   2.278 -16.010  -0.873
  144    HB2  HIS  16          2HB       HIS  16   3.708 -18.098  -0.642
  145    HB3  HIS  16          3HB       HIS  16   2.562 -18.641   0.580
  146    HD1  HIS  16           HD1      HIS  16  -0.051 -18.651  -0.393
  147    HD2  HIS  16           HD2      HIS  16   3.066 -18.942  -3.123
  148    HE1  HIS  16           HE1      HIS  16  -1.075 -19.606  -2.482
  149    H    ARG  17           H        ARG  17   1.999 -16.526   2.548
  150    HA   ARG  17           HA       ARG  17  -0.705 -17.259   2.705
  151    HB2  ARG  17          2HB       ARG  17  -0.563 -16.278   5.033
  152    HB3  ARG  17          3HB       ARG  17   0.628 -17.514   4.652
  153    HG2  ARG  17          2HG       ARG  17   2.373 -16.033   4.651
  154    HG3  ARG  17          3HG       ARG  17   1.347 -14.658   4.237
  155    HD2  ARG  17          2HD       ARG  17   0.296 -15.051   6.569
  156    HD3  ARG  17          3HD       ARG  17   1.759 -15.981   6.892
  157    HE   ARG  17           HE       ARG  17   2.256 -13.347   5.849
  158   HH11  ARG  17          1HH1      ARG  17   1.701 -15.243   8.715
  159   HH12  ARG  17          2HH1      ARG  17   2.488 -14.118   9.770
  160   HH21  ARG  17          1HH2      ARG  17   3.295 -11.857   7.228
  161   HH22  ARG  17          2HH2      ARG  17   3.394 -12.191   8.924
  162    H    LEU  18           H        LEU  18   0.839 -14.186   2.182
  163    HA   LEU  18           HA       LEU  18  -1.739 -12.803   2.434
  164    HB2  LEU  18          2HB       LEU  18   0.845 -11.388   1.962
  165    HB3  LEU  18          3HB       LEU  18  -0.600 -10.829   2.801
  166    HG   LEU  18           HG       LEU  18   1.518 -12.705   3.835
  167   HD11  LEU  18          1HD1      LEU  18   2.202 -10.456   4.059
  168   HD12  LEU  18          2HD1      LEU  18   1.589 -10.941   5.639
  169   HD13  LEU  18          3HD1      LEU  18   0.597  -9.941   4.578
  170   HD21  LEU  18          3HD2      LEU  18  -0.386 -13.678   4.718
  171   HD22  LEU  18          1HD2      LEU  18  -1.251 -12.144   4.817
  172   HD23  LEU  18          2HD2      LEU  18   0.044 -12.501   5.960
  173    H    PHE  19           H        PHE  19   0.896 -13.476   0.204
  174    HA   PHE  19           HA       PHE  19  -0.469 -12.025  -1.933
  175    HB2  PHE  19          2HB       PHE  19   2.261 -12.635  -1.336
  176    HB3  PHE  19          3HB       PHE  19   1.860 -13.330  -2.903
  177    HD1  PHE  19           HD2      PHE  19   1.122 -11.889  -4.747
  178    HD2  PHE  19           HD1      PHE  19   2.393 -10.277  -1.018
  179    HE1  PHE  19           HE2      PHE  19   1.379  -9.678  -5.794
  180    HE2  PHE  19           HE1      PHE  19   2.651  -8.063  -2.059
  181    HZ   PHE  19           HZ       PHE  19   2.146  -7.761  -4.451
  182    H    ARG  20           H        ARG  20  -1.481 -14.556  -0.758
  183    HA   ARG  20           HA       ARG  20  -1.039 -16.746  -2.435
  184    HB2  ARG  20          2HB       ARG  20  -2.167 -17.099  -0.366
  185    HB3  ARG  20          3HB       ARG  20  -3.426 -15.943  -0.778
  186    HG2  ARG  20          2HG       ARG  20  -3.137 -18.223  -2.617
  187    HG3  ARG  20          3HG       ARG  20  -3.701 -18.607  -0.990
  188    HD2  ARG  20          2HD       ARG  20  -5.705 -17.677  -1.349
  189    HD3  ARG  20          3HD       ARG  20  -5.003 -16.265  -2.138
  190    HE   ARG  20           HE       ARG  20  -4.765 -18.297  -3.963
  191   HH11  ARG  20          1HH1      ARG  20  -7.382 -16.795  -2.224
  192   HH12  ARG  20          2HH1      ARG  20  -8.551 -17.093  -3.467
  193   HH21  ARG  20          1HH2      ARG  20  -6.296 -18.694  -5.607
  194   HH22  ARG  20          2HH2      ARG  20  -7.933 -18.173  -5.390
  195    H    ARG  21           H        ARG  21  -2.902 -13.869  -2.909
  196    HA   ARG  21           HA       ARG  21  -4.240 -14.999  -5.254
  197    HB2  ARG  21          2HB       ARG  21  -5.605 -13.004  -5.252
  198    HB3  ARG  21          3HB       ARG  21  -5.578 -13.687  -3.632
  199    HG2  ARG  21          2HG       ARG  21  -3.903 -12.026  -2.968
  200    HG3  ARG  21          3HG       ARG  21  -3.965 -11.331  -4.589
  201    HD2  ARG  21          2HD       ARG  21  -6.306 -11.540  -2.698
  202    HD3  ARG  21          3HD       ARG  21  -5.336 -10.089  -2.950
  203    HE   ARG  21           HE       ARG  21  -6.256 -10.904  -5.441
  204   HH11  ARG  21          1HH1      ARG  21  -7.579  -9.773  -2.426
  205   HH12  ARG  21          2HH1      ARG  21  -8.966  -9.040  -3.160
  206   HH21  ARG  21          1HH2      ARG  21  -8.078  -9.943  -6.419
  207   HH22  ARG  21          2HH2      ARG  21  -9.250  -9.138  -5.431
  Start of MODEL   18
    1    H1   ARG   1           H        ARG   1   1.542  -0.524  -0.889
    2    HA   ARG   1           HA       ARG   1   2.113   0.237  -3.646
    3    HB2  ARG   1          2HB       ARG   1   2.973   1.809  -1.223
    4    HB3  ARG   1          3HB       ARG   1   3.843   1.897  -2.749
    5    HG2  ARG   1          2HG       ARG   1   1.693   2.583  -3.833
    6    HG3  ARG   1          3HG       ARG   1   0.994   2.694  -2.217
    7    HD2  ARG   1          2HD       ARG   1   3.094   4.196  -1.755
    8    HD3  ARG   1          3HD       ARG   1   3.083   4.386  -3.508
    9    HE   ARG   1           HE       ARG   1   0.507   4.892  -2.694
   10   HH11  ARG   1          1HH1      ARG   1   3.661   6.208  -2.033
   11   HH12  ARG   1          2HH1      ARG   1   3.073   7.808  -1.727
   12   HH21  ARG   1          1HH2      ARG   1  -0.280   6.995  -2.293
   13   HH22  ARG   1          2HH2      ARG   1   0.831   8.255  -1.874
   14    H    TRP   2           H        TRP   2   2.493  -2.237  -2.927
   15    HA   TRP   2           HA       TRP   2   5.008  -2.750  -1.660
   16    HB2  TRP   2          2HB       TRP   2   2.779  -4.264  -2.231
   17    HB3  TRP   2          3HB       TRP   2   3.962  -4.879  -3.382
   18    HD1  TRP   2           HD1      TRP   2   6.570  -4.936  -1.722
   19    HE1  TRP   2           HE1      TRP   2   6.827  -6.494   0.310
   20    HE3  TRP   2           HE3      TRP   2   1.629  -5.705  -0.659
   21    HZ2  TRP   2           HZ2      TRP   2   5.156  -7.868   2.124
   22    HZ3  TRP   2           HZ3      TRP   2   1.043  -7.155   1.240
   23    HH2  TRP   2           HH2      TRP   2   2.771  -8.213   2.601
   24    H    SER   3           H        SER   3   6.768  -1.952  -2.659
   25    HA   SER   3           HA       SER   3   7.036  -2.184  -5.552
   26    HB2  SER   3          2HB       SER   3   9.390  -1.079  -4.647
   27    HB3  SER   3          3HB       SER   3   7.972  -0.167  -5.164
   28    HG   SER   3           HG       SER   3   7.543   0.328  -3.149
   29    H    ILE   4           H        ILE   4   7.288  -4.427  -5.774
   30    HA   ILE   4           HA       ILE   4   9.860  -5.471  -4.782
   31    HB   ILE   4           HB       ILE   4   8.799  -7.754  -5.019
   32   HG12  ILE   4          2HG1      ILE   4   6.827  -6.578  -6.352
   33   HG13  ILE   4          3HG1      ILE   4   6.549  -8.028  -5.393
   34   HG21  ILE   4          1HG2      ILE   4   9.181  -6.755  -2.850
   35   HG22  ILE   4          2HG2      ILE   4   7.675  -5.847  -2.973
   36   HG23  ILE   4          3HG2      ILE   4   7.636  -7.605  -2.850
   37   HD11  ILE   4          3HD1      ILE   4   4.926  -6.039  -5.183
   38   HD12  ILE   4          1HD1      ILE   4   5.464  -6.864  -3.720
   39   HD13  ILE   4          2HD1      ILE   4   6.188  -5.323  -4.181
   40    H    THR   5           H        THR   5  11.108  -5.016  -6.553
   41    HA   THR   5           HA       THR   5  10.325  -5.354  -9.235
   42    HB   THR   5           HB       THR   5  12.764  -5.293  -9.751
   43    HG1  THR   5           HG1      THR   5  14.147  -4.893  -7.890
   44   HG21  THR   5          3HG2      THR   5  12.851  -3.045  -9.462
   45   HG22  THR   5          1HG2      THR   5  12.436  -3.140  -7.751
   46   HG23  THR   5          2HG2      THR   5  11.171  -3.270  -8.974
   47    H    THR   6           H        THR   6  12.966  -7.226  -7.794
   48    HA   THR   6           HA       THR   6  12.020  -9.570  -9.289
   49    HB   THR   6           HB       THR   6  14.708  -8.620  -8.448
   50    HG1  THR   6           HG1      THR   6  15.182  -9.446 -10.540
   51   HG21  THR   6          3HG2      THR   6  13.962 -11.536  -8.666
   52   HG22  THR   6          1HG2      THR   6  14.669 -10.714  -7.275
   53   HG23  THR   6          2HG2      THR   6  15.617 -10.932  -8.746
   54    H    ILE   7           H        ILE   7  12.796  -8.414  -6.085
   55    HA   ILE   7           HA       ILE   7  12.981 -10.781  -4.664
   56    HB   ILE   7           HB       ILE   7  13.035  -8.199  -3.937
   57   HG12  ILE   7          2HG1      ILE   7  12.257 -10.263  -1.892
   58   HG13  ILE   7          3HG1      ILE   7  13.790 -10.374  -2.750
   59   HG21  ILE   7          1HG2      ILE   7  10.563  -8.029  -4.149
   60   HG22  ILE   7          2HG2      ILE   7  10.415  -9.184  -2.825
   61   HG23  ILE   7          3HG2      ILE   7  11.171  -7.616  -2.546
   62   HD11  ILE   7          3HD1      ILE   7  14.412  -8.166  -1.910
   63   HD12  ILE   7          1HD1      ILE   7  12.882  -8.072  -1.039
   64   HD13  ILE   7          2HD1      ILE   7  14.072  -9.298  -0.601
   65    H    HIS   8           H        HIS   8  10.255  -9.419  -6.241
   66    HA   HIS   8           HA       HIS   8   8.092 -10.314  -4.806
   67    HB2  HIS   8          2HB       HIS   8   8.176  -9.031  -7.046
   68    HB3  HIS   8          3HB       HIS   8   8.195 -10.624  -7.798
   69    HD1  HIS   8           HD1      HIS   8   5.846  -9.037  -8.540
   70    HD2  HIS   8           HD2      HIS   8   5.915 -11.269  -5.037
   71    HE1  HIS   8           HE1      HIS   8   3.434  -9.420  -7.940
   72    H    ASN   9           H        ASN   9  10.434 -12.181  -6.536
   73    HA   ASN   9           HA       ASN   9   8.901 -14.561  -6.811
   74    HB2  ASN   9          2HB       ASN   9  11.297 -13.715  -7.799
   75    HB3  ASN   9          3HB       ASN   9  11.825 -14.856  -6.566
   76   HD21  ASN   9          1HD2      ASN   9  12.339 -16.677  -7.538
   77   HD22  ASN   9          2HD2      ASN   9  11.396 -17.489  -8.737
   78    H    LEU  10           H        LEU  10  11.464 -13.622  -4.518
   79    HA   LEU  10           HA       LEU  10  11.275 -15.931  -2.918
   80    HB2  LEU  10          2HB       LEU  10  13.238 -14.722  -2.660
   81    HB3  LEU  10          3HB       LEU  10  12.387 -13.186  -2.514
   82    HG   LEU  10           HG       LEU  10  11.986 -15.190  -0.360
   83   HD11  LEU  10          1HD1      LEU  10  14.237 -15.463  -0.239
   84   HD12  LEU  10          2HD1      LEU  10  14.100 -13.955   0.665
   85   HD13  LEU  10          3HD1      LEU  10  14.581 -13.925  -1.031
   86   HD21  LEU  10          3HD2      LEU  10  12.209 -12.997   0.954
   87   HD22  LEU  10          1HD2      LEU  10  10.782 -13.216  -0.058
   88   HD23  LEU  10          2HD2      LEU  10  12.114 -12.205  -0.620
   89    H    PHE  11           H        PHE  11   9.433 -12.989  -3.014
   90    HA   PHE  11           HA       PHE  11   8.197 -13.440  -0.436
   91    HB2  PHE  11          2HB       PHE  11   7.990 -11.340  -2.556
   92    HB3  PHE  11          3HB       PHE  11   6.696 -11.489  -1.372
   93    HD1  PHE  11           HD2      PHE  11  10.382 -11.101  -1.646
   94    HD2  PHE  11           HD1      PHE  11   6.883 -10.452   0.690
   95    HE1  PHE  11           HE2      PHE  11  11.699  -9.772  -0.048
   96    HE2  PHE  11           HE1      PHE  11   8.195  -9.121   2.291
   97    HZ   PHE  11           HZ       PHE  11  10.606  -8.781   1.924
   98    H    ARG  12           H        ARG  12   7.274 -13.619  -3.851
   99    HA   ARG  12           HA       ARG  12   4.603 -14.147  -3.699
  100    HB2  ARG  12          2HB       ARG  12   5.511 -14.020  -5.856
  101    HB3  ARG  12          3HB       ARG  12   6.733 -15.237  -5.513
  102    HG2  ARG  12          2HG       ARG  12   4.962 -16.038  -7.024
  103    HG3  ARG  12          3HG       ARG  12   5.078 -16.980  -5.537
  104    HD2  ARG  12          2HD       ARG  12   2.954 -16.545  -5.056
  105    HD3  ARG  12          3HD       ARG  12   3.262 -14.811  -5.139
  106    HE   ARG  12           HE       ARG  12   2.040 -16.457  -7.159
  107   HH11  ARG  12          1HH1      ARG  12   3.744 -13.492  -6.508
  108   HH12  ARG  12          2HH1      ARG  12   3.142 -12.684  -7.917
  109   HH21  ARG  12          1HH2      ARG  12   1.241 -15.404  -9.018
  110   HH22  ARG  12          2HH2      ARG  12   1.718 -13.772  -9.344
  111    H    LYS  13           H        LYS  13   7.223 -16.207  -2.719
  112    HA   LYS  13           HA       LYS  13   5.363 -18.426  -2.231
  113    HB2  LYS  13          2HB       LYS  13   7.728 -18.577  -3.432
  114    HB3  LYS  13          3HB       LYS  13   8.297 -18.693  -1.772
  115    HG2  LYS  13          2HG       LYS  13   6.480 -20.542  -1.563
  116    HG3  LYS  13          3HG       LYS  13   6.588 -20.582  -3.325
  117    HD2  LYS  13          2HD       LYS  13   8.629 -21.541  -3.301
  118    HD3  LYS  13          3HD       LYS  13   9.170 -20.592  -1.914
  119    HE2  LYS  13          2HE       LYS  13   7.631 -22.068  -0.518
  120    HE3  LYS  13          3HE       LYS  13   7.537 -23.116  -1.932
  121    HZ1  LYS  13          3HZ       LYS  13  10.117 -22.311  -0.722
  122    HZ2  LYS  13          1HZ       LYS  13   9.827 -23.562  -1.824
  123    HZ3  LYS  13          2HZ       LYS  13   9.277 -23.695  -0.231
  124    H    LEU  14           H        LEU  14   7.715 -16.330  -0.639
  125    HA   LEU  14           HA       LEU  14   7.535 -17.514   1.922
  126    HB2  LEU  14          2HB       LEU  14   9.401 -16.182   1.641
  127    HB3  LEU  14          3HB       LEU  14   8.488 -14.890   0.865
  128    HG   LEU  14           HG       LEU  14   7.707 -14.063   2.928
  129   HD11  LEU  14          1HD1      LEU  14   8.682 -15.542   4.999
  130   HD12  LEU  14          2HD1      LEU  14   8.232 -16.793   3.840
  131   HD13  LEU  14          3HD1      LEU  14   7.031 -15.622   4.385
  132   HD21  LEU  14          3HD2      LEU  14  10.481 -14.916   3.671
  133   HD22  LEU  14          1HD2      LEU  14   9.671 -13.376   3.960
  134   HD23  LEU  14          2HD2      LEU  14  10.202 -13.800   2.333
  135    H    THR  15           H        THR  15   6.018 -14.573   0.598
  136    HA   THR  15           HA       THR  15   4.177 -14.520   2.870
  137    HB   THR  15           HB       THR  15   5.249 -12.401   2.274
  138    HG1  THR  15           HG1      THR  15   3.411 -11.261   2.507
  139   HG21  THR  15          3HG2      THR  15   4.370 -11.311   0.106
  140   HG22  THR  15          1HG2      THR  15   4.016 -12.962  -0.404
  141   HG23  THR  15          2HG2      THR  15   5.673 -12.493  -0.021
  142    H    HIS  16           H        HIS  16   4.102 -16.434   0.508
  143    HA   HIS  16           HA       HIS  16   2.019 -15.918  -1.227
  144    HB2  HIS  16          2HB       HIS  16   3.545 -17.925  -1.243
  145    HB3  HIS  16          3HB       HIS  16   2.553 -18.610   0.040
  146    HD1  HIS  16           HD1      HIS  16   1.111 -20.352  -0.938
  147    HD2  HIS  16           HD2      HIS  16   1.485 -17.073  -3.462
  148    HE1  HIS  16           HE1      HIS  16  -0.351 -20.859  -2.921
  149    H    ARG  17           H        ARG  17   1.908 -16.552   2.162
  150    HA   ARG  17           HA       ARG  17  -0.762 -17.465   2.356
  151    HB2  ARG  17          2HB       ARG  17   0.906 -15.988   4.401
  152    HB3  ARG  17          3HB       ARG  17  -0.581 -16.866   4.734
  153    HG2  ARG  17          2HG       ARG  17   0.664 -18.649   5.148
  154    HG3  ARG  17          3HG       ARG  17   1.057 -18.700   3.429
  155    HD2  ARG  17          2HD       ARG  17   3.168 -18.590   4.266
  156    HD3  ARG  17          3HD       ARG  17   2.824 -16.864   4.172
  157    HE   ARG  17           HE       ARG  17   1.989 -17.655   6.671
  158   HH11  ARG  17          1HH1      ARG  17   4.975 -17.675   4.882
  159   HH12  ARG  17          2HH1      ARG  17   5.972 -17.524   6.291
  160   HH21  ARG  17          1HH2      ARG  17   3.290 -17.456   8.534
  161   HH22  ARG  17          2HH2      ARG  17   5.012 -17.400   8.368
  162    H    LEU  18           H        LEU  18   0.646 -14.324   1.961
  163    HA   LEU  18           HA       LEU  18  -1.986 -13.075   2.386
  164    HB2  LEU  18          2HB       LEU  18  -0.610 -11.926   3.806
  165    HB3  LEU  18          3HB       LEU  18   0.807 -12.140   2.780
  166    HG   LEU  18           HG       LEU  18  -0.066 -10.415   1.254
  167   HD11  LEU  18          1HD1      LEU  18  -2.483 -10.859   1.997
  168   HD12  LEU  18          2HD1      LEU  18  -2.007  -9.195   1.659
  169   HD13  LEU  18          3HD1      LEU  18  -2.127  -9.755   3.327
  170   HD21  LEU  18          3HD2      LEU  18   1.289 -10.049   3.526
  171   HD22  LEU  18          1HD2      LEU  18  -0.140  -9.083   3.895
  172   HD23  LEU  18          2HD2      LEU  18   0.824  -8.718   2.464
  173    H    PHE  19           H        PHE  19   0.788 -13.253   0.208
  174    HA   PHE  19           HA       PHE  19  -0.636 -11.691  -1.806
  175    HB2  PHE  19          2HB       PHE  19   2.106 -12.086  -1.151
  176    HB3  PHE  19          3HB       PHE  19   1.853 -12.690  -2.785
  177    HD1  PHE  19           HD1      PHE  19  -0.101 -10.912  -3.914
  178    HD2  PHE  19           HD2      PHE  19   3.133 -10.036  -1.289
  179    HE1  PHE  19           HE1      PHE  19  -0.029  -8.609  -4.777
  180    HE2  PHE  19           HE2      PHE  19   3.210  -7.731  -2.147
  181    HZ   PHE  19           HZ       PHE  19   1.627  -7.015  -3.893
  182    H    ARG  20           H        ARG  20  -1.520 -14.379  -1.016
  183    HA   ARG  20           HA       ARG  20  -0.828 -16.404  -2.751
  184    HB2  ARG  20          2HB       ARG  20  -3.262 -17.149  -2.469
  185    HB3  ARG  20          3HB       ARG  20  -2.297 -16.970  -1.009
  186    HG2  ARG  20          2HG       ARG  20  -3.338 -14.876  -0.500
  187    HG3  ARG  20          3HG       ARG  20  -4.181 -14.868  -2.051
  188    HD2  ARG  20          2HD       ARG  20  -5.587 -15.552  -0.098
  189    HD3  ARG  20          3HD       ARG  20  -5.530 -16.725  -1.413
  190    HE   ARG  20           HE       ARG  20  -3.560 -17.248   0.585
  191   HH11  ARG  20          1HH1      ARG  20  -6.929 -17.625  -0.206
  192   HH12  ARG  20          2HH1      ARG  20  -7.143 -19.021   0.798
  193   HH21  ARG  20          1HH2      ARG  20  -3.829 -19.086   1.910
  194   HH22  ARG  20          2HH2      ARG  20  -5.379 -19.851   2.001
  195    H    ARG  21           H        ARG  21  -2.791 -13.578  -3.347
  196    HA   ARG  21           HA       ARG  21  -3.517 -14.556  -6.008
  197    HB2  ARG  21          2HB       ARG  21  -4.715 -12.757  -4.099
  198    HB3  ARG  21          3HB       ARG  21  -4.511 -11.949  -5.648
  199    HG2  ARG  21          2HG       ARG  21  -6.527 -12.866  -6.051
  200    HG3  ARG  21          3HG       ARG  21  -5.547 -14.264  -6.499
  201    HD2  ARG  21          2HD       ARG  21  -5.989 -14.275  -3.673
  202    HD3  ARG  21          3HD       ARG  21  -7.533 -14.095  -4.505
  203    HE   ARG  21           HE       ARG  21  -5.896 -16.432  -4.412
  204   HH11  ARG  21          1HH1      ARG  21  -8.175 -14.674  -6.371
  205   HH12  ARG  21          2HH1      ARG  21  -8.714 -16.077  -7.233
  206   HH21  ARG  21          1HH2      ARG  21  -6.597 -18.286  -5.541
  207   HH22  ARG  21          2HH2      ARG  21  -7.816 -18.131  -6.760
  Start of MODEL   19
    1    H1   ARG   1           H        ARG   1   1.289   1.759  -0.815
    2    HA   ARG   1           HA       ARG   1   1.101  -0.503  -1.883
    3    HB2  ARG   1          2HB       ARG   1   2.269   0.133  -4.023
    4    HB3  ARG   1          3HB       ARG   1   1.128   1.323  -3.412
    5    HG2  ARG   1          2HG       ARG   1   2.736   2.856  -2.995
    6    HG3  ARG   1          3HG       ARG   1   3.939   1.638  -2.566
    7    HD2  ARG   1          2HD       ARG   1   4.725   2.533  -4.575
    8    HD3  ARG   1          3HD       ARG   1   3.935   1.031  -5.053
    9    HE   ARG   1           HE       ARG   1   2.381   2.253  -6.212
   10   HH11  ARG   1          1HH1      ARG   1   4.146   4.363  -4.077
   11   HH12  ARG   1          2HH1      ARG   1   3.467   5.813  -4.738
   12   HH21  ARG   1          1HH2      ARG   1   1.480   4.156  -7.090
   13   HH22  ARG   1          2HH2      ARG   1   1.951   5.695  -6.451
   14    H    TRP   2           H        TRP   2   2.292  -2.234  -2.867
   15    HA   TRP   2           HA       TRP   2   4.767  -2.800  -1.424
   16    HB2  TRP   2          2HB       TRP   2   2.555  -4.355  -2.033
   17    HB3  TRP   2          3HB       TRP   2   3.775  -4.914  -3.174
   18    HD1  TRP   2           HD1      TRP   2   6.359  -4.984  -1.526
   19    HE1  TRP   2           HE1      TRP   2   6.632  -6.541   0.506
   20    HE3  TRP   2           HE3      TRP   2   1.426  -5.765  -0.432
   21    HZ2  TRP   2           HZ2      TRP   2   4.976  -7.918   2.330
   22    HZ3  TRP   2           HZ3      TRP   2   0.856  -7.216   1.472
   23    HH2  TRP   2           HH2      TRP   2   2.595  -8.269   2.823
   24    H    SER   3           H        SER   3   6.438  -1.844  -2.463
   25    HA   SER   3           HA       SER   3   6.645  -2.039  -5.363
   26    HB2  SER   3          2HB       SER   3   8.947  -0.792  -4.508
   27    HB3  SER   3          3HB       SER   3   7.462   0.031  -4.986
   28    HG   SER   3           HG       SER   3   7.247   0.651  -3.001
   29    H    ILE   4           H        ILE   4   7.029  -4.265  -5.600
   30    HA   ILE   4           HA       ILE   4   9.680  -5.155  -4.666
   31    HB   ILE   4           HB       ILE   4   8.753  -7.497  -4.952
   32   HG12  ILE   4          2HG1      ILE   4   6.694  -6.411  -6.220
   33   HG13  ILE   4          3HG1      ILE   4   6.511  -7.888  -5.280
   34   HG21  ILE   4          1HG2      ILE   4   9.120  -6.505  -2.766
   35   HG22  ILE   4          2HG2      ILE   4   7.542  -5.723  -2.836
   36   HG23  ILE   4          3HG2      ILE   4   7.652  -7.481  -2.757
   37   HD11  ILE   4          3HD1      ILE   4   5.401  -6.811  -3.566
   38   HD12  ILE   4          1HD1      ILE   4   6.032  -5.227  -4.016
   39   HD13  ILE   4          2HD1      ILE   4   4.789  -5.995  -5.004
   40    H    THR   5           H        THR   5  10.841  -4.522  -6.460
   41    HA   THR   5           HA       THR   5  10.129  -4.763  -9.125
   42    HB   THR   5           HB       THR   5  12.053  -3.552  -8.961
   43    HG1  THR   5           HG1      THR   5  13.423  -4.641 -10.182
   44   HG21  THR   5          3HG2      THR   5  14.026  -4.678  -7.518
   45   HG22  THR   5          1HG2      THR   5  12.624  -5.350  -6.686
   46   HG23  THR   5          2HG2      THR   5  12.812  -3.602  -6.825
   47    H    THR   6           H        THR   6  12.598  -6.891  -7.713
   48    HA   THR   6           HA       THR   6  11.481  -9.097  -9.315
   49    HB   THR   6           HB       THR   6  14.273  -8.283  -8.709
   50    HG1  THR   6           HG1      THR   6  14.456  -9.259 -10.876
   51   HG21  THR   6          3HG2      THR   6  13.383 -11.157  -8.918
   52   HG22  THR   6          1HG2      THR   6  14.295 -10.406  -7.610
   53   HG23  THR   6          2HG2      THR   6  15.042 -10.627  -9.192
   54    H    ILE   7           H        ILE   7  12.577  -8.103  -6.156
   55    HA   ILE   7           HA       ILE   7  12.845 -10.504  -4.831
   56    HB   ILE   7           HB       ILE   7  13.038  -8.023  -3.982
   57   HG12  ILE   7          2HG1      ILE   7  12.040 -10.048  -1.993
   58   HG13  ILE   7          3HG1      ILE   7  13.575 -10.273  -2.825
   59   HG21  ILE   7          1HG2      ILE   7  10.586  -7.634  -4.227
   60   HG22  ILE   7          2HG2      ILE   7  10.326  -8.773  -2.907
   61   HG23  ILE   7          3HG2      ILE   7  11.218  -7.279  -2.619
   62   HD11  ILE   7          3HD1      ILE   7  14.606  -8.676  -1.626
   63   HD12  ILE   7          1HD1      ILE   7  13.174  -7.650  -1.554
   64   HD13  ILE   7          2HD1      ILE   7  13.325  -9.031  -0.467
   65    H    HIS   8           H        HIS   8   9.996  -9.090  -6.138
   66    HA   HIS   8           HA       HIS   8   7.945 -10.048  -4.604
   67    HB2  HIS   8          2HB       HIS   8   7.760  -8.694  -6.727
   68    HB3  HIS   8          3HB       HIS   8   7.960 -10.197  -7.622
   69    HD1  HIS   8           HD1      HIS   8   5.477  -9.244  -8.449
   70    HD2  HIS   8           HD2      HIS   8   5.765 -10.965  -4.679
   71    HE1  HIS   8           HE1      HIS   8   3.126  -9.871  -7.816
   72    H    ASN   9           H        ASN   9  10.135 -11.861  -6.603
   73    HA   ASN   9           HA       ASN   9   8.613 -14.245  -6.788
   74    HB2  ASN   9          2HB       ASN   9  11.523 -13.583  -7.143
   75    HB3  ASN   9          3HB       ASN   9  10.976 -15.257  -7.180
   76   HD21  ASN   9          1HD2      ASN   9  12.187 -13.857  -9.319
   77   HD22  ASN   9          2HD2      ASN   9  11.038 -13.770 -10.607
   78    H    LEU  10           H        LEU  10  11.200 -13.209  -4.584
   79    HA   LEU  10           HA       LEU  10  11.193 -15.599  -3.049
   80    HB2  LEU  10          2HB       LEU  10  13.150 -14.292  -2.982
   81    HB3  LEU  10          3HB       LEU  10  12.254 -12.831  -2.573
   82    HG   LEU  10           HG       LEU  10  11.810 -13.737  -0.338
   83   HD11  LEU  10          1HD1      LEU  10  11.835 -16.116  -0.933
   84   HD12  LEU  10          2HD1      LEU  10  12.906 -15.763   0.422
   85   HD13  LEU  10          3HD1      LEU  10  13.578 -16.027  -1.187
   86   HD21  LEU  10          3HD2      LEU  10  13.742 -12.334  -0.601
   87   HD22  LEU  10          1HD2      LEU  10  14.705 -13.695  -1.177
   88   HD23  LEU  10          2HD2      LEU  10  14.148 -13.655   0.496
   89    H    PHE  11           H        PHE  11   9.034 -13.015  -3.228
   90    HA   PHE  11           HA       PHE  11   8.063 -13.401  -0.492
   91    HB2  PHE  11          2HB       PHE  11   7.708 -11.271  -2.558
   92    HB3  PHE  11          3HB       PHE  11   6.452 -11.485  -1.344
   93    HD1  PHE  11           HD2      PHE  11   9.982 -10.621  -1.892
   94    HD2  PHE  11           HD1      PHE  11   6.795 -10.837   0.921
   95    HE1  PHE  11           HE2      PHE  11  11.298  -9.282  -0.303
   96    HE2  PHE  11           HE1      PHE  11   8.106  -9.497   2.515
   97    HZ   PHE  11           HZ       PHE  11  10.361  -8.719   1.904
   98    H    ARG  12           H        ARG  12   6.966 -13.550  -3.858
   99    HA   ARG  12           HA       ARG  12   4.325 -14.165  -3.575
  100    HB2  ARG  12          2HB       ARG  12   4.379 -14.993  -5.731
  101    HB3  ARG  12          3HB       ARG  12   5.852 -14.034  -5.696
  102    HG2  ARG  12          2HG       ARG  12   6.989 -16.254  -5.003
  103    HG3  ARG  12          3HG       ARG  12   5.529 -17.002  -5.653
  104    HD2  ARG  12          2HD       ARG  12   6.615 -14.970  -7.421
  105    HD3  ARG  12          3HD       ARG  12   7.776 -16.253  -7.084
  106    HE   ARG  12           HE       ARG  12   5.547 -17.631  -7.691
  107   HH11  ARG  12          1HH1      ARG  12   7.201 -15.014  -9.283
  108   HH12  ARG  12          2HH1      ARG  12   6.717 -15.503 -10.873
  109   HH21  ARG  12          1HH2      ARG  12   4.903 -18.285  -9.779
  110   HH22  ARG  12          2HH2      ARG  12   5.409 -17.363 -11.154
  111    H    LYS  13           H        LYS  13   7.052 -16.149  -2.753
  112    HA   LYS  13           HA       LYS  13   5.294 -18.440  -2.223
  113    HB2  LYS  13          2HB       LYS  13   7.619 -18.476  -3.523
  114    HB3  LYS  13          3HB       LYS  13   8.248 -18.624  -1.887
  115    HG2  LYS  13          2HG       LYS  13   6.490 -20.531  -1.676
  116    HG3  LYS  13          3HG       LYS  13   6.545 -20.517  -3.440
  117    HD2  LYS  13          2HD       LYS  13   9.202 -20.467  -2.762
  118    HD3  LYS  13          3HD       LYS  13   8.507 -21.492  -1.504
  119    HE2  LYS  13          2HE       LYS  13   7.401 -22.816  -3.314
  120    HE3  LYS  13          3HE       LYS  13   8.310 -21.867  -4.489
  121    HZ1  LYS  13          3HZ       LYS  13  10.360 -22.637  -3.325
  122    HZ2  LYS  13          1HZ       LYS  13   9.498 -23.863  -4.109
  123    HZ3  LYS  13          2HZ       LYS  13   9.398 -23.701  -2.429
  124    H    LEU  14           H        LEU  14   7.664 -16.309  -0.700
  125    HA   LEU  14           HA       LEU  14   7.620 -17.533   1.846
  126    HB2  LEU  14          2HB       LEU  14   9.442 -16.145   1.458
  127    HB3  LEU  14          3HB       LEU  14   8.437 -14.844   0.823
  128    HG   LEU  14           HG       LEU  14   7.816 -14.126   2.966
  129   HD11  LEU  14          1HD1      LEU  14   8.409 -16.899   3.711
  130   HD12  LEU  14          2HD1      LEU  14   7.208 -15.780   4.353
  131   HD13  LEU  14          3HD1      LEU  14   8.879 -15.693   4.909
  132   HD21  LEU  14          3HD2      LEU  14  10.136 -14.238   4.228
  133   HD22  LEU  14          1HD2      LEU  14   9.920 -13.265   2.773
  134   HD23  LEU  14          2HD2      LEU  14  10.683 -14.852   2.667
  135    H    THR  15           H        THR  15   5.986 -14.603   0.642
  136    HA   THR  15           HA       THR  15   4.247 -14.622   2.992
  137    HB   THR  15           HB       THR  15   5.240 -12.472   2.362
  138    HG1  THR  15           HG1      THR  15   3.170 -12.432   3.319
  139   HG21  THR  15          3HG2      THR  15   4.221 -11.387   0.253
  140   HG22  THR  15          1HG2      THR  15   3.883 -13.041  -0.254
  141   HG23  THR  15          2HG2      THR  15   5.545 -12.533   0.047
  142    H    HIS  16           H        HIS  16   4.095 -16.539   0.656
  143    HA   HIS  16           HA       HIS  16   1.945 -16.073  -1.005
  144    HB2  HIS  16          2HB       HIS  16   1.769 -18.453  -1.273
  145    HB3  HIS  16          3HB       HIS  16   3.474 -18.062  -1.072
  146    HD1  HIS  16           HD1      HIS  16   1.687 -20.761  -0.316
  147    HD2  HIS  16           HD2      HIS  16   3.590 -18.063   2.206
  148    HE1  HIS  16           HE1      HIS  16   2.076 -22.008   1.833
  149    H    ARG  17           H        ARG  17   1.960 -16.665   2.395
  150    HA   ARG  17           HA       ARG  17  -0.687 -17.599   2.705
  151    HB2  ARG  17          2HB       ARG  17   1.143 -16.126   4.605
  152    HB3  ARG  17          3HB       ARG  17  -0.417 -16.791   5.071
  153    HG2  ARG  17          2HG       ARG  17   0.529 -18.750   5.457
  154    HG3  ARG  17          3HG       ARG  17   1.046 -18.841   3.772
  155    HD2  ARG  17          2HD       ARG  17   2.940 -19.059   5.304
  156    HD3  ARG  17          3HD       ARG  17   3.074 -17.607   4.313
  157    HE   ARG  17           HE       ARG  17   2.890 -16.328   6.209
  158   HH11  ARG  17          1HH1      ARG  17   1.991 -19.613   6.932
  159   HH12  ARG  17          2HH1      ARG  17   1.927 -19.356   8.644
  160   HH21  ARG  17          1HH2      ARG  17   2.809 -15.978   8.462
  161   HH22  ARG  17          2HH2      ARG  17   2.392 -17.288   9.513
  162    H    LEU  18           H        LEU  18   0.659 -14.443   2.202
  163    HA   LEU  18           HA       LEU  18  -1.983 -13.231   2.668
  164    HB2  LEU  18          2HB       LEU  18  -0.601 -12.035   4.042
  165    HB3  LEU  18          3HB       LEU  18   0.800 -12.243   2.993
  166    HG   LEU  18           HG       LEU  18  -0.098 -10.549   1.467
  167   HD11  LEU  18          1HD1      LEU  18  -2.205  -9.859   1.523
  168   HD12  LEU  18          2HD1      LEU  18  -2.077  -9.426   3.228
  169   HD13  LEU  18          3HD1      LEU  18  -2.511 -11.072   2.767
  170   HD21  LEU  18          3HD2      LEU  18   0.443  -8.669   2.778
  171   HD22  LEU  18          1HD2      LEU  18   1.364 -10.006   3.469
  172   HD23  LEU  18          2HD2      LEU  18  -0.108  -9.446   4.264
  173    H    PHE  19           H        PHE  19   0.777 -13.321   0.455
  174    HA   PHE  19           HA       PHE  19  -0.745 -11.861  -1.562
  175    HB2  PHE  19          2HB       PHE  19   2.023 -12.130  -0.939
  176    HB3  PHE  19          3HB       PHE  19   1.771 -12.748  -2.568
  177    HD1  PHE  19           HD1      PHE  19  -0.287 -11.055  -3.657
  178    HD2  PHE  19           HD2      PHE  19   2.969 -10.042  -1.109
  179    HE1  PHE  19           HE1      PHE  19  -0.329  -8.753  -4.524
  180    HE2  PHE  19           HE2      PHE  19   2.931  -7.738  -1.971
  181    HZ   PHE  19           HZ       PHE  19   1.280  -7.091  -3.681
  182    H    ARG  20           H        ARG  20  -1.547 -14.543  -0.755
  183    HA   ARG  20           HA       ARG  20  -0.774 -16.586  -2.433
  184    HB2  ARG  20          2HB       ARG  20  -2.822 -17.659  -1.917
  185    HB3  ARG  20          3HB       ARG  20  -2.422 -16.686  -0.508
  186    HG2  ARG  20          2HG       ARG  20  -3.938 -14.905  -1.655
  187    HG3  ARG  20          3HG       ARG  20  -4.579 -16.299  -2.527
  188    HD2  ARG  20          2HD       ARG  20  -4.458 -17.101   0.141
  189    HD3  ARG  20          3HD       ARG  20  -5.057 -15.444   0.189
  190    HE   ARG  20           HE       ARG  20  -6.473 -16.818  -1.785
  191   HH11  ARG  20          1HH1      ARG  20  -6.073 -16.842   1.673
  192   HH12  ARG  20          2HH1      ARG  20  -7.667 -17.445   1.984
  193   HH21  ARG  20          1HH2      ARG  20  -8.574 -17.612  -1.389
  194   HH22  ARG  20          2HH2      ARG  20  -9.089 -17.883   0.242
  195    H    ARG  21           H        ARG  21  -2.801 -13.828  -3.128
  196    HA   ARG  21           HA       ARG  21  -3.973 -14.743  -5.515
  197    HB2  ARG  21          2HB       ARG  21  -3.858 -12.302  -4.029
  198    HB3  ARG  21          3HB       ARG  21  -3.530 -11.947  -5.720
  199    HG2  ARG  21          2HG       ARG  21  -5.802 -11.756  -5.688
  200    HG3  ARG  21          3HG       ARG  21  -5.635 -13.460  -6.118
  201    HD2  ARG  21          2HD       ARG  21  -6.405 -14.182  -4.108
  202    HD3  ARG  21          3HD       ARG  21  -5.718 -12.815  -3.233
  203    HE   ARG  21           HE       ARG  21  -7.795 -11.846  -4.814
  204   HH11  ARG  21          1HH1      ARG  21  -7.345 -13.989  -2.108
  205   HH12  ARG  21          2HH1      ARG  21  -8.911 -13.679  -1.434
  206   HH21  ARG  21          1HH2      ARG  21  -9.859 -11.429  -3.937
  207   HH22  ARG  21          2HH2      ARG  21 -10.341 -12.223  -2.476
  Start of MODEL   20
    1    H1   ARG   1           H        ARG   1   0.979  -0.873  -1.311
    2    HA   ARG   1           HA       ARG   1   2.273  -0.208  -3.871
    3    HB2  ARG   1          2HB       ARG   1   2.484   1.061  -1.143
    4    HB3  ARG   1          3HB       ARG   1   3.617   1.409  -2.441
    5    HG2  ARG   1          2HG       ARG   1   2.209   3.081  -2.913
    6    HG3  ARG   1          3HG       ARG   1   1.252   1.822  -3.697
    7    HD2  ARG   1          2HD       ARG   1  -0.221   3.049  -2.290
    8    HD3  ARG   1          3HD       ARG   1   0.068   1.494  -1.511
    9    HE   ARG   1           HE       ARG   1   1.900   3.428  -0.560
   10   HH11  ARG   1          1HH1      ARG   1  -1.444   2.481  -0.341
   11   HH12  ARG   1          2HH1      ARG   1  -1.660   3.135   1.249
   12   HH21  ARG   1          1HH2      ARG   1   1.627   4.292   1.533
   13   HH22  ARG   1          2HH2      ARG   1   0.087   4.166   2.313
   14    H    TRP   2           H        TRP   2   3.007  -2.467  -3.918
   15    HA   TRP   2           HA       TRP   2   5.273  -2.957  -2.102
   16    HB2  TRP   2          2HB       TRP   2   3.120  -4.601  -2.713
   17    HB3  TRP   2          3HB       TRP   2   4.429  -5.242  -3.701
   18    HD1  TRP   2           HD1      TRP   2   6.883  -5.136  -1.889
   19    HE1  TRP   2           HE1      TRP   2   7.023  -6.472   0.306
   20    HE3  TRP   2           HE3      TRP   2   1.890  -5.827  -1.041
   21    HZ2  TRP   2           HZ2      TRP   2   5.251  -7.663   2.152
   22    HZ3  TRP   2           HZ3      TRP   2   1.196  -7.076   0.962
   23    HH2  TRP   2           HH2      TRP   2   2.843  -7.975   2.524
   24    H    SER   3           H        SER   3   6.925  -1.955  -3.176
   25    HA   SER   3           HA       SER   3   7.315  -2.221  -6.000
   26    HB2  SER   3          2HB       SER   3   9.519  -1.381  -4.156
   27    HB3  SER   3          3HB       SER   3   9.095  -0.756  -5.750
   28    HG   SER   3           HG       SER   3   7.138   0.062  -4.677
   29    H    ILE   4           H        ILE   4   7.304  -4.531  -6.207
   30    HA   ILE   4           HA       ILE   4   9.867  -5.762  -5.431
   31    HB   ILE   4           HB       ILE   4   8.709  -7.948  -5.419
   32   HG12  ILE   4          2HG1      ILE   4   6.442  -6.227  -6.237
   33   HG13  ILE   4          3HG1      ILE   4   6.781  -7.908  -6.634
   34   HG21  ILE   4          1HG2      ILE   4   9.052  -6.516  -3.371
   35   HG22  ILE   4          2HG2      ILE   4   7.363  -6.036  -3.528
   36   HG23  ILE   4          3HG2      ILE   4   7.776  -7.728  -3.254
   37   HD11  ILE   4          3HD1      ILE   4   6.073  -8.497  -4.306
   38   HD12  ILE   4          1HD1      ILE   4   5.533  -6.829  -4.125
   39   HD13  ILE   4          2HD1      ILE   4   4.797  -7.867  -5.347
   40    H    THR   5           H        THR   5  10.960  -5.390  -7.324
   41    HA   THR   5           HA       THR   5   9.772  -6.014  -9.882
   42    HB   THR   5           HB       THR   5  11.331  -4.140  -9.724
   43    HG1  THR   5           HG1      THR   5  11.359  -5.020 -11.736
   44   HG21  THR   5          3HG2      THR   5  13.634  -6.007  -9.370
   45   HG22  THR   5          1HG2      THR   5  12.744  -5.463  -7.948
   46   HG23  THR   5          2HG2      THR   5  13.518  -4.285  -9.009
   47    H    THR   6           H        THR   6  12.334  -7.354  -7.825
   48    HA   THR   6           HA       THR   6  12.180  -9.838  -9.406
   49    HB   THR   6           HB       THR   6  14.552  -8.344  -8.407
   50    HG1  THR   6           HG1      THR   6  14.336  -8.359 -10.588
   51   HG21  THR   6          3HG2      THR   6  14.424 -11.357  -8.559
   52   HG22  THR   6          1HG2      THR   6  14.729 -10.389  -7.118
   53   HG23  THR   6          2HG2      THR   6  15.909 -10.416  -8.429
   54    H    ILE   7           H        ILE   7  12.655  -8.394  -6.225
   55    HA   ILE   7           HA       ILE   7  12.993 -10.677  -4.690
   56    HB   ILE   7           HB       ILE   7  12.879  -8.086  -4.070
   57   HG12  ILE   7          2HG1      ILE   7  12.096 -10.090  -1.966
   58   HG13  ILE   7          3HG1      ILE   7  13.674 -10.158  -2.743
   59   HG21  ILE   7          1HG2      ILE   7  10.395  -8.081  -4.404
   60   HG22  ILE   7          2HG2      ILE   7  10.268  -9.116  -2.983
   61   HG23  ILE   7          3HG2      ILE   7  10.933  -7.490  -2.833
   62   HD11  ILE   7          3HD1      ILE   7  14.134  -7.879  -1.981
   63   HD12  ILE   7          1HD1      ILE   7  12.565  -7.842  -1.177
   64   HD13  ILE   7          2HD1      ILE   7  13.804  -8.976  -0.640
   65    H    HIS   8           H        HIS   8  10.210  -9.588  -6.376
   66    HA   HIS   8           HA       HIS   8   8.103 -10.610  -4.918
   67    HB2  HIS   8          2HB       HIS   8   8.178  -9.361  -7.224
   68    HB3  HIS   8          3HB       HIS   8   8.159 -10.992  -7.890
   69    HD1  HIS   8           HD1      HIS   8   5.805  -9.228  -8.511
   70    HD2  HIS   8           HD2      HIS   8   5.963 -11.664  -5.149
   71    HE1  HIS   8           HE1      HIS   8   3.410  -9.607  -7.842
   72    H    ASN   9           H        ASN   9  10.606 -12.305  -6.576
   73    HA   ASN   9           HA       ASN   9   9.257 -14.792  -6.883
   74    HB2  ASN   9          2HB       ASN   9  11.648 -13.752  -7.764
   75    HB3  ASN   9          3HB       ASN   9  12.169 -14.939  -6.572
   76   HD21  ASN   9          1HD2      ASN   9   9.709 -14.695  -9.124
   77   HD22  ASN   9          2HD2      ASN   9  10.033 -16.245  -9.816
   78    H    LEU  10           H        LEU  10  11.407 -13.450  -4.414
   79    HA   LEU  10           HA       LEU  10  11.344 -15.850  -2.824
   80    HB2  LEU  10          2HB       LEU  10  13.328 -14.698  -2.566
   81    HB3  LEU  10          3HB       LEU  10  12.530 -13.127  -2.533
   82    HG   LEU  10           HG       LEU  10  12.057 -15.002  -0.268
   83   HD11  LEU  10          1HD1      LEU  10  14.112 -13.821   0.787
   84   HD12  LEU  10          2HD1      LEU  10  14.637 -13.626  -0.885
   85   HD13  LEU  10          3HD1      LEU  10  14.353 -15.240  -0.232
   86   HD21  LEU  10          3HD2      LEU  10  12.092 -12.053  -0.750
   87   HD22  LEU  10          1HD2      LEU  10  12.300 -12.683   0.884
   88   HD23  LEU  10          2HD2      LEU  10  10.836 -13.059  -0.026
   89    H    PHE  11           H        PHE  11   9.384 -13.078  -3.184
   90    HA   PHE  11           HA       PHE  11   8.200 -13.319  -0.534
   91    HB2  PHE  11          2HB       PHE  11   8.038 -11.342  -2.759
   92    HB3  PHE  11          3HB       PHE  11   6.666 -11.460  -1.662
   93    HD1  PHE  11           HD2      PHE  11  10.359 -11.030  -1.679
   94    HD2  PHE  11           HD1      PHE  11   6.683 -10.298   0.337
   95    HE1  PHE  11           HE2      PHE  11  11.536  -9.597  -0.062
   96    HE2  PHE  11           HE1      PHE  11   7.853  -8.863   1.957
   97    HZ   PHE  11           HZ       PHE  11  10.283  -8.512   1.760
   98    H    ARG  12           H        ARG  12   7.198 -13.585  -3.934
   99    HA   ARG  12           HA       ARG  12   4.558 -14.206  -3.690
  100    HB2  ARG  12          2HB       ARG  12   4.748 -15.475  -5.759
  101    HB3  ARG  12          3HB       ARG  12   5.741 -14.025  -5.841
  102    HG2  ARG  12          2HG       ARG  12   7.360 -15.375  -6.554
  103    HG3  ARG  12          3HG       ARG  12   7.495 -15.896  -4.873
  104    HD2  ARG  12          2HD       ARG  12   6.998 -17.954  -5.550
  105    HD3  ARG  12          3HD       ARG  12   5.378 -17.373  -5.930
  106    HE   ARG  12           HE       ARG  12   7.102 -16.788  -8.073
  107   HH11  ARG  12          1HH1      ARG  12   5.568 -19.495  -6.511
  108   HH12  ARG  12          2HH1      ARG  12   5.513 -20.461  -7.948
  109   HH21  ARG  12          1HH2      ARG  12   7.036 -18.050  -9.972
  110   HH22  ARG  12          2HH2      ARG  12   6.349 -19.638  -9.916
  111    H    LYS  13           H        LYS  13   7.268 -16.159  -2.753
  112    HA   LYS  13           HA       LYS  13   5.523 -18.460  -2.242
  113    HB2  LYS  13          2HB       LYS  13   7.923 -18.475  -3.398
  114    HB3  LYS  13          3HB       LYS  13   8.455 -18.568  -1.724
  115    HG2  LYS  13          2HG       LYS  13   6.727 -20.509  -1.570
  116    HG3  LYS  13          3HG       LYS  13   6.891 -20.537  -3.328
  117    HD2  LYS  13          2HD       LYS  13   9.498 -20.414  -2.504
  118    HD3  LYS  13          3HD       LYS  13   8.758 -21.406  -1.246
  119    HE2  LYS  13          2HE       LYS  13   7.691 -22.675  -3.249
  120    HE3  LYS  13          3HE       LYS  13   8.980 -21.921  -4.185
  121    HZ1  LYS  13          3HZ       LYS  13  10.573 -23.145  -3.155
  122    HZ2  LYS  13          1HZ       LYS  13   9.294 -24.245  -3.028
  123    HZ3  LYS  13          2HZ       LYS  13   9.715 -23.282  -1.704
  124    H    LEU  14           H        LEU  14   7.752 -16.240  -0.634
  125    HA   LEU  14           HA       LEU  14   7.525 -17.411   1.941
  126    HB2  LEU  14          2HB       LEU  14   9.413 -16.083   1.617
  127    HB3  LEU  14          3HB       LEU  14   8.478 -14.765   0.914
  128    HG   LEU  14           HG       LEU  14   7.760 -14.005   3.012
  129   HD11  LEU  14          1HD1      LEU  14   8.247 -16.783   3.821
  130   HD12  LEU  14          2HD1      LEU  14   7.034 -15.631   4.377
  131   HD13  LEU  14          3HD1      LEU  14   8.671 -15.569   5.029
  132   HD21  LEU  14          3HD2      LEU  14   9.722 -13.197   3.715
  133   HD22  LEU  14          1HD2      LEU  14  10.430 -14.165   2.422
  134   HD23  LEU  14          2HD2      LEU  14  10.363 -14.803   4.065
  135    H    THR  15           H        THR  15   6.058 -14.489   0.526
  136    HA   THR  15           HA       THR  15   4.181 -14.352   2.759
  137    HB   THR  15           HB       THR  15   5.245 -12.259   2.067
  138    HG1  THR  15           HG1      THR  15   3.378 -11.090   2.127
  139   HG21  THR  15          3HG2      THR  15   4.347 -11.296  -0.170
  140   HG22  THR  15          1HG2      THR  15   4.069 -12.985  -0.592
  141   HG23  THR  15          2HG2      THR  15   5.698 -12.429  -0.208
  142    H    HIS  16           H        HIS  16   4.153 -16.363   0.459
  143    HA   HIS  16           HA       HIS  16   2.072 -15.949  -1.299
  144    HB2  HIS  16          2HB       HIS  16   1.933 -18.322  -1.540
  145    HB3  HIS  16          3HB       HIS  16   3.622 -17.937  -1.220
  146    HD1  HIS  16           HD1      HIS  16   3.676 -17.806   1.800
  147    HD2  HIS  16           HD2      HIS  16   1.572 -20.704  -0.307
  148    HE1  HIS  16           HE1      HIS  16   3.409 -19.734   3.393
  149    H    ARG  17           H        ARG  17   1.948 -16.472   2.114
  150    HA   ARG  17           HA       ARG  17  -0.707 -17.401   2.336
  151    HB2  ARG  17          2HB       ARG  17  -0.552 -16.685   4.684
  152    HB3  ARG  17          3HB       ARG  17   0.872 -17.585   4.181
  153    HG2  ARG  17          2HG       ARG  17   1.825 -15.189   3.697
  154    HG3  ARG  17          3HG       ARG  17   0.589 -14.705   4.860
  155    HD2  ARG  17          2HD       ARG  17   2.726 -16.781   5.333
  156    HD3  ARG  17          3HD       ARG  17   2.763 -15.122   5.929
  157    HE   ARG  17           HE       ARG  17   0.388 -16.271   6.809
  158   HH11  ARG  17          1HH1      ARG  17   3.815 -16.692   7.255
  159   HH12  ARG  17          2HH1      ARG  17   3.662 -17.312   8.865
  160   HH21  ARG  17          1HH2      ARG  17   0.173 -17.085   8.929
  161   HH22  ARG  17          2HH2      ARG  17   1.589 -17.535   9.816
  162    H    LEU  18           H        LEU  18   0.655 -14.247   1.838
  163    HA   LEU  18           HA       LEU  18  -2.007 -13.034   2.164
  164    HB2  LEU  18          2HB       LEU  18  -0.671 -11.803   3.556
  165    HB3  LEU  18          3HB       LEU  18   0.762 -12.028   2.555
  166    HG   LEU  18           HG       LEU  18  -0.110 -10.379   0.957
  167   HD11  LEU  18          1HD1      LEU  18  -2.546 -10.874   2.201
  168   HD12  LEU  18          2HD1      LEU  18  -2.210  -9.658   0.970
  169   HD13  LEU  18          3HD1      LEU  18  -2.121  -9.230   2.678
  170   HD21  LEU  18          3HD2      LEU  18  -0.227  -9.101   3.659
  171   HD22  LEU  18          1HD2      LEU  18   0.530  -8.519   2.176
  172   HD23  LEU  18          2HD2      LEU  18   1.269  -9.838   3.084
  173    H    PHE  19           H        PHE  19   0.721 -13.433  -0.003
  174    HA   PHE  19           HA       PHE  19  -0.602 -11.859  -2.077
  175    HB2  PHE  19          2HB       PHE  19   2.139 -12.638  -1.489
  176    HB3  PHE  19          3HB       PHE  19   1.717 -12.941  -3.171
  177    HD1  PHE  19           HD1      PHE  19   0.562 -10.225  -0.915
  178    HD2  PHE  19           HD2      PHE  19   2.831 -11.287  -4.356
  179    HE1  PHE  19           HE1      PHE  19   0.900  -7.842  -1.423
  180    HE2  PHE  19           HE2      PHE  19   3.174  -8.905  -4.869
  181    HZ   PHE  19           HZ       PHE  19   2.209  -7.179  -3.401
  182    H    ARG  20           H        ARG  20  -1.484 -14.571  -1.069
  183    HA   ARG  20           HA       ARG  20  -0.996 -16.611  -2.861
  184    HB2  ARG  20          2HB       ARG  20  -3.379 -17.352  -2.290
  185    HB3  ARG  20          3HB       ARG  20  -2.253 -17.161  -0.953
  186    HG2  ARG  20          2HG       ARG  20  -3.248 -15.131  -0.276
  187    HG3  ARG  20          3HG       ARG  20  -4.172 -15.002  -1.774
  188    HD2  ARG  20          2HD       ARG  20  -4.536 -17.309   0.111
  189    HD3  ARG  20          3HD       ARG  20  -5.397 -15.788   0.338
  190    HE   ARG  20           HE       ARG  20  -5.928 -17.797  -1.639
  191   HH11  ARG  20          1HH1      ARG  20  -6.192 -14.409  -0.880
  192   HH12  ARG  20          2HH1      ARG  20  -7.530 -14.141  -1.946
  193   HH21  ARG  20          1HH2      ARG  20  -7.690 -17.456  -3.047
  194   HH22  ARG  20          2HH2      ARG  20  -8.382 -15.875  -3.178
  195    H    ARG  21           H        ARG  21  -3.004 -13.781  -3.240
  196    HA   ARG  21           HA       ARG  21  -4.595 -14.553  -5.387
  197    HB2  ARG  21          2HB       ARG  21  -3.881 -12.102  -4.072
  198    HB3  ARG  21          3HB       ARG  21  -3.870 -11.854  -5.813
  199    HG2  ARG  21          2HG       ARG  21  -6.077 -11.740  -5.840
  200    HG3  ARG  21          3HG       ARG  21  -6.196 -13.342  -5.109
  201    HD2  ARG  21          2HD       ARG  21  -5.824 -12.244  -2.883
  202    HD3  ARG  21          3HD       ARG  21  -5.976 -10.689  -3.701
  203    HE   ARG  21           HE       ARG  21  -8.093 -12.435  -2.943
  204   HH11  ARG  21          1HH1      ARG  21  -7.109 -10.130  -5.359
  205   HH12  ARG  21          2HH1      ARG  21  -8.729  -9.686  -5.783
  206   HH21  ARG  21          1HH2      ARG  21 -10.231 -11.859  -3.493
  207   HH22  ARG  21          2HH2      ARG  21 -10.504 -10.670  -4.721