*HEADER    TOXIN                                   18-MAR-13   2M61              
*TITLE     NMR AND MASS SPECTROMETRIC STUDIES OF M-2 BRANCH MINI-M CONOTOXINS    
*TITLE    2 FROM INDIAN CONE SNAILS                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CONOTOXIN AR1446;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CONOTOXIN AR1430                                            
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CONUS ARANEOSUS;                                
*SOURCE   3 ORGANISM_COMMON: COBWEB CONE;                                        
*SOURCE   4 ORGANISM_TAXID: 101286                                               
*KEYWDS    CONOTOXINS, M-2 BRANCH, NMR SPECTROSCOPY, MASS SPECTROMETRY, TERTIARY 
*KEYWDS   2 STRUCTURE, TOXIN                                                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    30                                                                    
*AUTHOR    S.P.SARMA, R.P.RAJESH, G.S.KUMAR, S.SUDARSLAL, V.SABAREESH, K.H.GOWD, 
*AUTHOR   2 K.GUPTA, K.S.KRISHNAN, P.BALARAM                                     
*REVDAT   1   16-APR-14 2M61    0                                                


  1 CYSS HA      1 CYSS HB2     3.50
  1 CYSS HA      1 CYSS HB3     3.50
  1 CYSS HA      2 CYSS H       2.40
  1 CYSS HB3     2 CYSS H       5.00
  1 CYSS HB2    14 CYAS H       3.50
  1 CYSS HB2    14 CYAS HA      4.50
  1 CYSS CA     14 CYAS CA      6.00
  1 CYSS CB     14 CYAS CB      4.00
  2 CYSS H       2 CYSS HA      3.50
  2 CYSS H       2 CYSS HB2     3.50
  2 CYSS H       2 CYSS HB3     5.00
  2 CYSS HA      2 CYSS HB2     3.50
  2 CYSS HA      3 ARG  H       2.40
  2 CYSS HB2     3 ARG  H       5.00
  2 CYSS HB3     3 ARG  H       3.50 
  2 CYSS H      13 CYSS HA      3.50
  2 CYSS CA     10 CYSS CA      6.50
  2 CYSS CB     10 CYSS CB      4.50
  3 ARG  H       3 ARG  HA      3.50
  3 ARG  H       3 ARG  HB2     5.00
  3 ARG  H       3 ARG  HB3     0.00
  3 ARG  HA      3 ARG  HB3     3.50
  3 ARG  HA      3 ARG  HB2     0.00
  3 ARG  HA      3 ARG  QG      5.00
  3 ARG  HA      3 ARG  QD      5.00
  3 ARG  HA      3 ARG  HE      5.00
  3 ARG  HB2     3 ARG  QG      3.50
  3 ARG  HB3     3 ARG  QG      0.00
  3 ARG  HB2     3 ARG  QD      5.00
  3 ARG  HB3     3 ARG  QD      0.00  
  3 ARG  HB2     3 ARG  HE      5.00
  3 ARG  HB3     3 ARG  HE      0.00
  3 ARG  QG      3 ARG  QD      3.50
  3 ARG  QG      3 ARG  HE      5.00
  3 ARG  QD      3 ARG  HE      3.50
  3 ARG  H       4 LEU  H       3.50
  3 ARG  HA      4 LEU  H       3.50
  3 ARG  HB2     4 LEU  H       3.50
  3 ARG  HB3     4 LEU  H       3.50
  3 ARG  QD     13 CYSS HB2     6.00
  3 ARG  QD     13 CYSS HB3     0.00
  3 ARG  HA     14 CYAS H       3.50
  3 ARG  HA     14 CYAS HB2     5.00
  3 ARG  QD     14 CYAS 1HN     5.00
  3 ARG  QD     14 CYAS 2HN     0.00
  4 LEU  H       4 LEU  HA      3.50
  4 LEU  H       4 LEU  QB      3.50
  4 LEU  H       4 LEU  QQD     5.00
  4 LEU  HA      4 LEU  QB      3.50
  4 LEU  HA      4 LEU  QQD     5.00
  4 LEU  QB      4 LEU  QQD     5.00
  4 LEU  HA      6 CYSS H       5.00
  5 ALA  H       5 ALA  HA      3.50
  5 ALA  H       5 ALA  QB      3.50
  5 ALA  H       6 CYSS H       3.50
  5 ALA  HA      6 CYSS H       3.50
  5 ALA  QB      6 CYSS H       3.50
  5 ALA  QB      8 LEU  QD1     3.50
  5 ALA  QB     10 CYSS HB2     3.50
  5 ALA  QB     10 CYSS HB3     0.00
  6 CYSS H       6 CYSS HA      3.50
  6 CYSS H       6 CYSS HB2     5.00
  6 CYSS H       6 CYSS HB3     5.00
  6 CYSS HA      6 CYSS HB2     3.50
  6 CYSS HA      6 CYSS HB3     3.50
  6 CYSS HA      7 GLY  H       3.50
  6 CYSS HB2     7 GLY  H       5.00
  6 CYSS HB3     7 GLY  H       0.00
  6 CYSS HA     10 CYSS HB3     3.50
  6 CYSS HA     10 CYSS HA      5.00
  6 CYSS CA     13 CYSS CA      6.50
  6 CYSS CB     13 CYSS CB      4.50
  7 GLY  H       7 GLY  HA2     3.50
  7 GLY  H       7 GLY  HA3     0.00
  7 GLY  HA2     8 LEU  H       3.50
  7 GLY  HA3     8 LEU  H       0.00 
  8 LEU  H       8 LEU  HA      3.50
  8 LEU  H       8 LEU  QB      5.00
  8 LEU  H       8 LEU  HG      5.00
  8 LEU  HA      8 LEU  QB      3.50
  8 LEU  HA      8 LEU  QD1     5.00
  8 LEU  HA      8 LEU  QD2     0.00
  8 LEU  H       9 GLY  H       5.00
  8 LEU  HA      9 GLY  H       3.50
  8 LEU  QB      9 GLY  H       5.00
  9 GLY  H       9 GLY  HA2     5.00
  9 GLY  H       9 GLY  HA3     0.00
  9 GLY  H      10 CYSS H       3.50
  9 GLY  HA2    10 CYSS H       3.50
  9 GLY  HA3    10 CYSS H       0.00
 10 CYSS H      10 CYSS HA      3.50
 10 CYSS H      10 CYSS HB2     3.50
 10 CYSS H      10 CYSS HB3     5.00
 10 CYSS HA     10 CYSS HB3     3.50
 10 CYSS HA     10 CYSS HB2     3.50
 10 CYSS CA      2 CYSS CA      6.50
 10 CYSS CB      2 CYSS CB      4.50
 10 CYSS HA     11 HIS  H       2.60
 10 CYSS HB2    11 HIS  H       5.00
 10 CYSS HB3    11 HIS  H       0.00
 11 HIS  H      11 HIS  HA      3.50
 11 HIS  HA     11 HIS  HB2     3.50
 11 HIS  HA     11 HIS  HB3     3.50
 11 HIS  HB2    11 HIS  HD2     3.50
 11 HIS  HB3    11 HIS  HD2     4.50
 11 HIS  HB3    11 HIS  HE1     5.00
 11 HIS  HD2    12 HYP  HD3     5.00
 11 HIS  HB2    12 HYP  HD3     4.50
 12 HYP  HB2    13 CYSS H       4.50
 12 HYP  HB3    13 CYSS H       4.50
 12 HYP  HA     13 CYSS H       2.60
 13 CYSS H      13 CYSS HA      3.50
 13 CYSS H      13 CYSS HB2     4.00
 13 CYSS H      13 CYSS HB3     4.00
 13 CYSS HA     13 CYSS HB2     3.50
 13 CYSS HA     13 CYSS HB3     3.50
 13 CYSS CA      6 CYSS CA      6.50
 13 CYSS CB      6 CYSS CB      4.50
 13 CYSS HA     14 CYAS H       3.50
 13 CYSS HB2    14 CYAS H       3.50
 13 CYSS HB3    14 CYAS H       3.00
 14 CYAS H      14 CYAS HA      3.50
 14 CYAS H      14 CYAS HB2     5.00
 14 CYAS H      14 CYAS HB3     3.50
 14 CYAS HA     14 CYAS HB2     3.50
 14 CYAS HA     14 CYAS HB3     3.50
 14 CYAS HA     14 CYAS 1HN     3.50
 14 CYAS HA     14 CYAS 2HN     3.50
 14 CYAS HB3    14 CYAS 1HN     5.00
 14 CYAS HB3    14 CYAS 2HN     0.00
 14 CYAS HB2    14 CYAS 1HN     5.00
 14 CYAS HB2    14 CYAS 2HN     0.00
 14 CYAS CA      1 CYSS CA      6.00
 14 CYAS CB      1 CYSS CB      4.00
 7 GLY  HA2    11 HIS HE1      5.00
 2 CYSS HA       4 LEU H      5.00
1 CYSS PSI  90  150
1 CYSS CHI1     60      90 
2 CYSS PHI -150 -90
2 CYSS PSI  90  150
2 CYSS CHI1     -120    -30 
3 ARG PHI       -90    -30 
3 ARG PSI       -60     0 
3 ARG CHI1      -90     -30
4 LEU PHI       -90     -30
4 LEU PSI       -75     -15      
4 LEU CHI1      -90     -30
5 ALA PHI -90 -30
5 ALA PSI -75      0 
6 CYSS PHI -90 -30
6 CYSS PSI -75     -15
6 CYSS CHI1      0      90 
7 GLY PHI       -90    -30  
7 GLY PSI       -60     0 
8 LEU PHI       -90     -30  
8 LEU PSI       60     150 
8 LEU CHI1      -90    -30
9 GLY PHI       50     120 
9 GLY PSI       -30     30
10 CYSS PHI     -150   -90 
10 CYSS PSI     90     150 
10 CYSS CHI1    -190    -170
11 HIS  PHI -160 -80
11 HIS PSI 80 160
11 HIS  CHI1    30    90 
#12 HYP  PSI    90      150 
13 CYSS PHI -150 -90
13 CYSS PSI 90 150
13 CYSS CHI1    -120    -30 
14 CYAS PHI -150 -90
#14 CYAS PSI     90      150
14 CYAS CHI1    -90     -60
  2 CYSS SG     10 CYSS SG      2.05 2.0 
  2 CYSS SG     10 CYSS CB      3.05 2.0
  2 CYSS CB     10 CYSS SG      3.05 2.0
  6 CYSS SG     13 CYSS SG      2.05 2.0
  6 CYSS SG     13 CYSS CB      3.05 2.0
  6 CYSS CB     13 CYSS SG      3.05 2.0
  1 CYSS SG     14 CYAS SG      2.05 2.0
  1 CYSS SG     14 CYAS CB      3.05 2.0
  1 CYSS CB     14 CYAS SG      3.05 2.0
  2 CYSS SG     10 CYSS SG      2.05 2.0 
  2 CYSS SG     10 CYSS CB      3.05 2.0
  2 CYSS CB     10 CYSS SG      3.05 2.0
  6 CYSS SG     13 CYSS SG      2.05 2.0
  6 CYSS SG     13 CYSS CB      3.05 2.0
  6 CYSS CB     13 CYSS SG      3.05 2.0
  1 CYSS SG     14 CYAS SG      2.05 2.0
  1 CYSS SG     14 CYAS CB      3.05 2.0
  1 CYSS CB     14 CYAS SG      3.05 2.0
# CYSTEINE 1
  1 CYSS HA      1 CYSS HB2     2.00
  1 CYSS HA      1 CYSS HB3     2.00
  1 CYSS HA      2 CYSS H       2.00
  1 CYSS HB3     2 CYSS H       2.00
  1 CYSS HB2    14 CYAS H       2.00
#  1 CYSS HB3    14 CYAS H       2.00
#  1 CYSS HB3    14 CYAS HA      2.00
  1 CYSS HB2    14 CYAS HA      2.00
  1 CYSS CA     14 CYAS CA      2.00
  1 CYSS CB     14 CYAS CB      2.00
# CYSTEINE 2
  2 CYSS H       2 CYSS HA      2.00
  2 CYSS H       2 CYSS HB2     2.00
  2 CYSS H       2 CYSS HB3     2.00
  2 CYSS HA      2 CYSS HB2     2.00
  2 CYSS HA      3 ARG  H       2.00
  2 CYSS HB2     3 ARG  H       2.00
  2 CYSS HB3     3 ARG  H       2.00 
  2 CYSS H      13 CYSS HA      2.00
  2 CYSS CA     10 CYSS CA      2.00
  2 CYSS CB     10 CYSS CB      2.00
  3 ARG  H       3 ARG  HA      2.00
  3 ARG  H       3 ARG  HB2     2.00
  3 ARG  H       3 ARG  HB3     2.00
  3 ARG  HA      3 ARG  HB3     2.00
  3 ARG  HA      3 ARG  HB2     2.00
  3 ARG  HA      3 ARG  QG      2.00
  3 ARG  HA      3 ARG  QD      2.00
  3 ARG  HA      3 ARG  HE      2.00
  3 ARG  HB2     3 ARG  QG      2.00
  3 ARG  HB3     3 ARG  QG      2.00
  3 ARG  HB2     3 ARG  QD      2.00
  3 ARG  HB3     3 ARG  QD      2.00  
  3 ARG  HB2     3 ARG  HE      2.00
  3 ARG  HB3     3 ARG  HE      2.00
  3 ARG  QG      3 ARG  QD      2.00
  3 ARG  QG      3 ARG  HE      2.00
  3 ARG  QD      3 ARG  HE      2.00
  3 ARG  H       4 LEU  H       2.00
  3 ARG  HA      4 LEU  H       2.00
  3 ARG  HB2     4 LEU  H       2.00
  3 ARG  HB3     4 LEU  H       2.00
#  3 ARG  QB      4 LEU  H       2.00
  3 ARG  QD     13 CYSS HB2     2.00
  3 ARG  QD     13 CYSS HB3     2.00
  3 ARG  HA     14 CYAS H       2.00
  3 ARG  HA     14 CYAS HB2     2.00
#  3 ARG  QD     14 CYAS 1HN     2.00
#  3 ARG  QD     14 CYAS 2HN     2.00
#  3 ARG  HE     14 CYAS O       2.00
  4 LEU  H       4 LEU  HA      2.00
  4 LEU  H       4 LEU  QB      2.00
  4 LEU  H       4 LEU  QQD     2.00
  4 LEU  HA      4 LEU  QB      2.00
  4 LEU  HA      4 LEU  QQD     2.00
  4 LEU  QB      4 LEU  QQD     2.00
  4 LEU  HA      6 CYSS H       2.00
#  4 LEU  O       7 GLY  H       2.20
#  4 LEU  O       7 GLY  H       3.20
  5 ALA  H       5 ALA  HA      2.00
  5 ALA  H       5 ALA  QB      2.00
  5 ALA  H       6 CYSS H       2.00
  5 ALA  HA      6 CYSS H       2.00
  5 ALA  QB      6 CYSS H       2.00
  5 ALA  QB      8 LEU  QD1     2.00
#  5 ALA  QB      8 LEU  QD2     2.00
  5 ALA  QB     10 CYSS HB2     2.00
  5 ALA  QB     10 CYSS HB3     2.00
  6 CYSS H       6 CYSS HA      2.00
  6 CYSS H       6 CYSS HB2     2.00
  6 CYSS H       6 CYSS HB3     2.00
  6 CYSS HA      6 CYSS HB2     2.00
  6 CYSS HA      6 CYSS HB3     2.00
  6 CYSS HA      7 GLY  H       2.00
  6 CYSS HB2     7 GLY  H       2.00
  6 CYSS HB3     7 GLY  H       2.00
#  6 CYSS HA     10 CYSS HB2     2.00
  6 CYSS HA     10 CYSS HB3     2.00
  6 CYSS HA     10 CYSS HA      2.00
  6 CYSS CA     13 CYSS CA      2.00
  6 CYSS CB     13 CYSS CB      2.00
  7 GLY  H       7 GLY  HA2     2.00
  7 GLY  H       7 GLY  HA3     2.00
  7 GLY  HA2     8 LEU  H       2.00
  7 GLY  HA3     8 LEU  H       2.00 
  8 LEU  H       8 LEU  HA      2.00
  8 LEU  H       8 LEU  QB      2.00
  8 LEU  H       8 LEU  HG      2.00
  8 LEU  HA      8 LEU  QB      2.00
  8 LEU  HA      8 LEU  QD1     2.00
  8 LEU  HA      8 LEU  QD2     2.00
  8 LEU  H       9 GLY  H       2.00
  8 LEU  HA      9 GLY  H       2.00
  8 LEU  QB      9 GLY  H       2.00
#  8 LEU  HA     11 HIS  HE1     2.00
  9 GLY  H       9 GLY  HA2     2.00
  9 GLY  H       9 GLY  HA3     2.00
  9 GLY  H      10 CYSS H       2.00
  9 GLY  HA2    10 CYSS H       2.00
  9 GLY  HA3    10 CYSS H       2.00
 10 CYSS H      10 CYSS HA      2.00
 10 CYSS H      10 CYSS HB2     2.00
 10 CYSS H      10 CYSS HB3     2.00
 10 CYSS HA     10 CYSS HB3     2.00
 10 CYSS HA     10 CYSS HB2     2.00
 10 CYSS CA      2 CYSS CA      2.00
 10 CYSS CB      2 CYSS CB      2.00
 10 CYSS HA     11 HIS  H       2.00
# 10 CYSS H      11 HIS  H       2.00
 10 CYSS HB2    11 HIS  H       2.00
 10 CYSS HB3    11 HIS  H       2.00
 11 HIS  H      11 HIS  HA      2.00
 11 HIS  HA     11 HIS  HB2     2.00
 11 HIS  HA     11 HIS  HB3     2.00
 11 HIS  HB2    11 HIS  HD2     2.00
 11 HIS  HB3    11 HIS  HD2     2.00
 11 HIS  HB3    11 HIS  HE1     2.00
# 11 HIS  HB2    12 HYP  HA      2.00
 11 HIS  HD2    12 HYP  HD3     2.00
 11 HIS  HB2    12 HYP  HD3     2.00
# 11 HIS  HB3    12 HYP  QD      2.00
 12 HYP  HB2    13 CYSS H       2.00
 12 HYP  HB3    13 CYSS H       2.00
 12 HYP  HA     13 CYSS H       2.00
 13 CYSS H      13 CYSS HA      2.00
 13 CYSS H      13 CYSS HB2     2.00
 13 CYSS H      13 CYSS HB3     2.00
 13 CYSS HA     13 CYSS HB2     2.00
 13 CYSS HA     13 CYSS HB3     2.00
 13 CYSS CA      6 CYSS CA      2.00
 13 CYSS CB      6 CYSS CB      2.00
 13 CYSS HA     14 CYAS H       2.00
 13 CYSS HB2    14 CYAS H       2.00
 14 CYAS H      14 CYAS HA      2.00
 14 CYAS H      14 CYAS HB2     2.00
 14 CYAS H      14 CYAS HB3     2.00
 14 CYAS HA     14 CYAS HB2     2.00
 14 CYAS HA     14 CYAS HB3     2.00
##########################################
 14 CYAS HA     14 CYAS 1HN     2.00
 14 CYAS HA     14 CYAS 2HN     2.00
##########################################
 14 CYAS HB3    14 CYAS 1HN     2.00
 14 CYAS HB3    14 CYAS 2HN     2.00
 14 CYAS HB2    14 CYAS 1HN     2.00
 14 CYAS HB2    14 CYAS 2HN     2.00
 14 CYAS CA      1 CYSS CA      2.00
 14 CYAS CB      1 CYSS CB      2.00
###########################################
  7 GLY  HA2    11 HIS HE1      2.00
  7 GLY  HA3    11 HIS HE1      2.00
  8 LEU  HA     11 HIS HE1      2.00
#  1 CYSS HA     11 HIS HE1      2.00
###########################################
  3 ARG  HA     14 CYAS 1HN     2.00
  3 ARG  HA     14 CYAS 2HN     2.00 
###########################################
 13 CYSS HB2    14 CYAS 1HN     2.00
 13 CYSS HB3    14 CYAS 2HN     2.00
###########################################
 2 CYSS HA       4 LEU H      2.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   CYS   1           H        CYS   1   1.807   0.001   0.856
    2    HA   CYS   1           HA       CYS   1   3.043  -0.477  -1.046
    3    HB2  CYS   1           HB2      CYS   1   2.021  -0.962  -3.153
    4    HB3  CYS   1           HB3      CYS   1   1.043  -1.741  -1.913
    5    H    CYS   2           H        CYS   2   4.056   0.854  -2.596
    6    HA   CYS   2           HA       CYS   2   3.099   3.641  -2.578
    7    HB2  CYS   2           HB2      CYS   2   5.961   2.886  -3.078
    8    HB3  CYS   2           HB3      CYS   2   5.304   4.409  -2.486
    9    H    ARG   3           H        ARG   3   3.294   4.873  -4.477
   10    HA   ARG   3           HA       ARG   3   3.208   3.267  -6.911
   11    HB2  ARG   3           HB2      ARG   3   2.643   6.219  -6.655
   12    HB3  ARG   3           HB3      ARG   3   2.148   5.135  -7.948
   13    HG2  ARG   3           HG2      ARG   3   1.161   5.057  -5.104
   14    HG3  ARG   3           HG3      ARG   3   0.281   5.695  -6.495
   15    HD2  ARG   3           HD2      ARG   3   0.256   3.497  -7.520
   16    HD3  ARG   3           HD3      ARG   3   1.219   2.844  -6.196
   17    HE   ARG   3           HE       ARG   3  -0.685   2.694  -4.939
   18   HH11  ARG   3          HH11      ARG   3  -1.270   4.818  -7.635
   19   HH12  ARG   3          HH12      ARG   3  -2.969   4.960  -7.322
   20   HH21  ARG   3          HH21      ARG   3  -2.919   2.873  -4.517
   21   HH22  ARG   3          HH22      ARG   3  -3.905   3.854  -5.548
   22    H    LEU   4           H        LEU   4   4.602   6.436  -6.035
   23    HA   LEU   4           HA       LEU   4   6.658   6.068  -8.070
   24    HB2  LEU   4           HB2      LEU   4   5.596   8.362  -6.509
   25    HB3  LEU   4           HB3      LEU   4   7.261   8.454  -7.080
   26    HG   LEU   4           HG       LEU   4   5.732   9.591  -8.600
   27   HD11  LEU   4          HD11      LEU   4   6.450   7.193 -10.170
   28   HD12  LEU   4          HD12      LEU   4   7.756   7.991  -9.295
   29   HD13  LEU   4          HD13      LEU   4   6.799   8.896 -10.468
   30   HD21  LEU   4          HD21      LEU   4   4.076   8.321  -9.878
   31   HD22  LEU   4          HD22      LEU   4   3.719   8.294  -8.151
   32   HD23  LEU   4          HD23      LEU   4   4.442   6.883  -8.924
   33    H    ALA   5           H        ALA   5   6.329   6.405  -4.578
   34    HA   ALA   5           HA       ALA   5   9.164   6.369  -4.099
   35    HB1  ALA   5           HB1      ALA   5   7.740   5.675  -1.748
   36    HB2  ALA   5           HB2      ALA   5   8.511   7.209  -2.154
   37    HB3  ALA   5           HB3      ALA   5   6.825   6.928  -2.588
   38    H    CYS   6           H        CYS   6   7.172   4.040  -5.180
   39    HA   CYS   6           HA       CYS   6   7.580   1.813  -3.562
   40    HB2  CYS   6           HB2      CYS   6   6.684   0.585  -5.277
   41    HB3  CYS   6           HB3      CYS   6   6.191   2.193  -5.796
   42    H    GLY   7           H        GLY   7   9.787   3.511  -5.584
   43    HA2  GLY   7           HA2      GLY   7  11.648   1.336  -5.904
   44    HA3  GLY   7           HA3      GLY   7  11.929   3.021  -6.317
   45    H    LEU   8           H        LEU   8  10.923   3.483  -3.379
   46    HA   LEU   8           HA       LEU   8  13.609   3.433  -2.259
   47    HB2  LEU   8           HB2      LEU   8  11.045   4.791  -1.543
   48    HB3  LEU   8           HB3      LEU   8  12.330   4.647  -0.345
   49    HG   LEU   8           HG       LEU   8  13.410   5.695  -2.784
   50   HD11  LEU   8          HD11      LEU   8  12.154   7.580  -3.216
   51   HD12  LEU   8          HD12      LEU   8  11.331   7.520  -1.658
   52   HD13  LEU   8          HD13      LEU   8  10.904   6.370  -2.925
   53   HD21  LEU   8          HD21      LEU   8  13.831   7.650  -1.182
   54   HD22  LEU   8          HD22      LEU   8  14.554   6.091  -0.786
   55   HD23  LEU   8          HD23      LEU   8  13.096   6.625   0.051
   56    H    GLY   9           H        GLY   9  13.088   0.921  -2.366
   57    HA2  GLY   9           HA2      GLY   9  12.956  -0.998  -1.112
   58    HA3  GLY   9           HA3      GLY   9  13.018   0.031   0.311
   59    H    CYS  10           H        CYS  10  10.522   0.328  -2.119
   60    HA   CYS  10           HA       CYS  10   8.609  -0.953  -0.286
   61    HB2  CYS  10           HB2      CYS  10   8.331   1.419   0.023
   62    HB3  CYS  10           HB3      CYS  10   8.293   1.690  -1.716
   63    H    HIS  11           H        HIS  11   8.654  -2.812  -1.602
   64    HA   HIS  11           HA       HIS  11   7.074  -2.529  -4.056
   65    HB2  HIS  11           HB2      HIS  11   8.668  -4.574  -4.792
   66    HB3  HIS  11           HB3      HIS  11   9.007  -2.894  -5.196
   67    HD1  HIS  11           HD1      HIS  11  11.122  -1.893  -4.279
   68    HD2  HIS  11           HD2      HIS  11  10.217  -5.571  -2.572
   69    HE1  HIS  11           HE1      HIS  11  13.139  -2.514  -2.911
   70    HA   HYP  12           HA       HYP  12   6.938  -4.389  -5.738
   71    HB2  HYP  12           HB2      HYP  12   4.478  -5.133  -6.612
   72    HB3  HYP  12           HB3      HYP  12   5.805  -6.280  -6.387
   73    HG   HYP  12           HG       HYP  12   3.497  -5.675  -4.579
   74   HD22  HYP  12          HD2       HYP  12   4.748  -6.001  -2.672
   75   HD23  HYP  12          HD3       HYP  12   5.929  -7.030  -3.507
   76    HD1  HYP  12           HOD      HYP  12   4.982  -7.714  -4.711
   77    H    CYS  13           H        CYS  13   5.752  -2.924  -7.218
   78    HA   CYS  13           HA       CYS  13   4.619  -0.709  -5.710
   79    HB2  CYS  13           HB2      CYS  13   5.018  -0.636  -8.675
   80    HB3  CYS  13           HB3      CYS  13   5.192   0.658  -7.493
   81    H    CYS  14           H        CYS  14   2.588   0.344  -6.238
   82    HA   CYS  14           HA       CYS  14   0.618  -1.501  -7.206
   83    HB2  CYS  14           HB3      CYS  14   0.625   0.833  -5.586
   84    HB3  CYS  14           HB2      CYS  14  -0.741   0.526  -6.426
   85    HN1  NH2  15           1HN      NH2  15  -0.219  -0.102 -10.245
   86    HN2  NH2  15           2HN      NH2  15  -0.367  -1.415  -9.124
  Start of MODEL    2
    1    H1   CYS   1           H        CYS   1   0.313  -0.228  -0.173
    2    HA   CYS   1           HA       CYS   1   3.037  -0.717  -1.132
    3    HB2  CYS   1           HB2      CYS   1   2.070  -1.238  -3.256
    4    HB3  CYS   1           HB3      CYS   1   1.098  -2.050  -2.032
    5    H    CYS   2           H        CYS   2   4.030   0.649  -2.665
    6    HA   CYS   2           HA       CYS   2   2.975   3.401  -2.665
    7    HB2  CYS   2           HB2      CYS   2   5.870   2.747  -3.115
    8    HB3  CYS   2           HB3      CYS   2   5.150   4.245  -2.536
    9    H    ARG   3           H        ARG   3   3.160   4.638  -4.562
   10    HA   ARG   3           HA       ARG   3   3.173   3.030  -6.996
   11    HB2  ARG   3           HB2      ARG   3   2.080   5.687  -6.214
   12    HB3  ARG   3           HB3      ARG   3   2.492   5.440  -7.906
   13    HG2  ARG   3           HG2      ARG   3   0.232   4.887  -7.759
   14    HG3  ARG   3           HG3      ARG   3   1.066   3.332  -7.771
   15    HD2  ARG   3           HD2      ARG   3  -0.677   3.322  -6.092
   16    HD3  ARG   3           HD3      ARG   3   0.905   3.252  -5.317
   17    HE   ARG   3           HE       ARG   3   0.451   5.253  -4.316
   18   HH11  ARG   3          HH11      ARG   3  -1.706   4.834  -7.016
   19   HH12  ARG   3          HH12      ARG   3  -2.645   6.244  -6.653
   20   HH21  ARG   3          HH21      ARG   3  -0.778   7.112  -3.827
   21   HH22  ARG   3          HH22      ARG   3  -2.115   7.539  -4.839
   22    H    LEU   4           H        LEU   4   4.440   6.246  -6.098
   23    HA   LEU   4           HA       LEU   4   6.542   5.950  -8.096
   24    HB2  LEU   4           HB2      LEU   4   5.435   8.218  -6.505
   25    HB3  LEU   4           HB3      LEU   4   7.060   8.350  -7.176
   26    HG   LEU   4           HG       LEU   4   5.397   9.429  -8.604
   27   HD11  LEU   4          HD11      LEU   4   7.358   7.607  -9.382
   28   HD12  LEU   4          HD12      LEU   4   6.631   8.878 -10.364
   29   HD13  LEU   4          HD13      LEU   4   5.961   7.247 -10.397
   30   HD21  LEU   4          HD21      LEU   4   3.501   7.955  -7.983
   31   HD22  LEU   4          HD22      LEU   4   4.216   6.678  -8.968
   32   HD23  LEU   4          HD23      LEU   4   3.676   8.178  -9.724
   33    H    ALA   5           H        ALA   5   6.140   6.276  -4.611
   34    HA   ALA   5           HA       ALA   5   8.966   6.339  -4.083
   35    HB1  ALA   5           HB1      ALA   5   7.527   5.596  -1.756
   36    HB2  ALA   5           HB2      ALA   5   8.251   7.156  -2.150
   37    HB3  ALA   5           HB3      ALA   5   6.583   6.816  -2.612
   38    H    CYS   6           H        CYS   6   7.077   3.942  -5.196
   39    HA   CYS   6           HA       CYS   6   7.534   1.731  -3.569
   40    HB2  CYS   6           HB2      CYS   6   6.712   0.472  -5.299
   41    HB3  CYS   6           HB3      CYS   6   6.171   2.061  -5.828
   42    H    GLY   7           H        GLY   7   9.715   3.506  -5.555
   43    HA2  GLY   7           HA2      GLY   7  11.656   1.397  -5.840
   44    HA3  GLY   7           HA3      GLY   7  11.885   3.091  -6.249
   45    H    LEU   8           H        LEU   8  10.813   3.517  -3.330
   46    HA   LEU   8           HA       LEU   8  13.479   3.562  -2.164
   47    HB2  LEU   8           HB2      LEU   8  10.843   4.750  -1.338
   48    HB3  LEU   8           HB3      LEU   8  12.275   4.808  -0.312
   49    HG   LEU   8           HG       LEU   8  12.587   5.850  -3.062
   50   HD11  LEU   8          HD11      LEU   8  10.676   6.976  -1.084
   51   HD12  LEU   8          HD12      LEU   8  10.608   6.966  -2.845
   52   HD13  LEU   8          HD13      LEU   8  11.680   8.090  -2.012
   53   HD21  LEU   8          HD21      LEU   8  14.183   7.189  -2.100
   54   HD22  LEU   8          HD22      LEU   8  14.237   5.792  -1.025
   55   HD23  LEU   8          HD23      LEU   8  13.358   7.243  -0.543
   56    H    GLY   9           H        GLY   9  13.049   1.033  -2.277
   57    HA2  GLY   9           HA2      GLY   9  12.962  -0.890  -1.025
   58    HA3  GLY   9           HA3      GLY   9  12.962   0.141   0.399
   59    H    CYS  10           H        CYS  10  10.500   0.350  -2.074
   60    HA   CYS  10           HA       CYS  10   8.602  -0.997  -0.274
   61    HB2  CYS  10           HB2      CYS  10   8.236   1.364   0.028
   62    HB3  CYS  10           HB3      CYS  10   8.219   1.633  -1.712
   63    H    HIS  11           H        HIS  11   8.735  -2.853  -1.588
   64    HA   HIS  11           HA       HIS  11   7.189  -2.626  -4.070
   65    HB2  HIS  11           HB2      HIS  11   8.867  -4.614  -4.776
   66    HB3  HIS  11           HB3      HIS  11   9.153  -2.923  -5.176
   67    HD1  HIS  11           HD1      HIS  11  11.216  -1.849  -4.223
   68    HD2  HIS  11           HD2      HIS  11  10.410  -5.555  -2.528
   69    HE1  HIS  11           HE1      HIS  11  13.229  -2.398  -2.819
   70    HA   HYP  12           HA       HYP  12   7.148  -4.490  -5.752
   71    HB2  HYP  12           HB2      HYP  12   4.731  -5.320  -6.669
   72    HB3  HYP  12           HB3      HYP  12   6.093  -6.419  -6.420
   73    HG   HYP  12           HG       HYP  12   3.734  -5.896  -4.653
   74   HD22  HYP  12          HD2       HYP  12   4.962  -6.177  -2.724
   75   HD23  HYP  12          HD3       HYP  12   6.193  -7.164  -3.537
   76    HD1  HYP  12           HOD      HYP  12   5.292  -7.881  -4.757
   77    H    CYS  13           H        CYS  13   5.937  -3.067  -7.254
   78    HA   CYS  13           HA       CYS  13   4.701  -0.893  -5.768
   79    HB2  CYS  13           HB2      CYS  13   5.149  -0.807  -8.725
   80    HB3  CYS  13           HB3      CYS  13   5.257   0.492  -7.542
   81    H    CYS  14           H        CYS  14   2.644   0.087  -6.332
   82    HA   CYS  14           HA       CYS  14   0.757  -1.825  -7.332
   83    HB2  CYS  14           HB3      CYS  14   0.654   0.507  -5.713
   84    HB3  CYS  14           HB2      CYS  14  -0.686   0.152  -6.577
   85    HN1  NH2  15           1HN      NH2  15  -0.076  -0.456 -10.386
   86    HN2  NH2  15           2HN      NH2  15  -0.197  -1.774  -9.268
  Start of MODEL    3
    1    H1   CYS   1           H        CYS   1   1.132   0.293   0.602
    2    HA   CYS   1           HA       CYS   1   3.271  -0.892  -0.840
    3    HB2  CYS   1           HB2      CYS   1   2.212  -1.398  -2.923
    4    HB3  CYS   1           HB3      CYS   1   1.313  -2.244  -1.668
    5    H    CYS   2           H        CYS   2   4.167   0.512  -2.397
    6    HA   CYS   2           HA       CYS   2   3.071   3.245  -2.307
    7    HB2  CYS   2           HB2      CYS   2   5.951   2.646  -2.903
    8    HB3  CYS   2           HB3      CYS   2   5.236   4.124  -2.267
    9    H    ARG   3           H        ARG   3   3.145   4.513  -4.191
   10    HA   ARG   3           HA       ARG   3   3.068   2.940  -6.646
   11    HB2  ARG   3           HB2      ARG   3   1.991   5.587  -5.790
   12    HB3  ARG   3           HB3      ARG   3   2.292   5.327  -7.503
   13    HG2  ARG   3           HG2      ARG   3   0.923   3.130  -7.091
   14    HG3  ARG   3           HG3      ARG   3   0.306   4.034  -5.707
   15    HD2  ARG   3           HD2      ARG   3   0.336   5.179  -8.484
   16    HD3  ARG   3           HD3      ARG   3  -1.002   4.195  -7.891
   17    HE   ARG   3           HE       ARG   3  -0.426   6.291  -6.078
   18   HH11  ARG   3          HH11      ARG   3  -1.897   5.658  -9.169
   19   HH12  ARG   3          HH12      ARG   3  -2.981   7.006  -9.075
   20   HH21  ARG   3          HH21      ARG   3  -1.849   8.069  -5.943
   21   HH22  ARG   3          HH22      ARG   3  -2.952   8.377  -7.240
   22    H    LEU   4           H        LEU   4   4.325   6.163  -5.762
   23    HA   LEU   4           HA       LEU   4   6.333   5.932  -7.861
   24    HB2  LEU   4           HB2      LEU   4   5.257   8.156  -6.194
   25    HB3  LEU   4           HB3      LEU   4   6.855   8.326  -6.917
   26    HG   LEU   4           HG       LEU   4   5.150   9.402  -8.280
   27   HD11  LEU   4          HD11      LEU   4   7.075   7.595  -9.150
   28   HD12  LEU   4          HD12      LEU   4   6.289   8.852 -10.104
   29   HD13  LEU   4          HD13      LEU   4   5.637   7.214 -10.097
   30   HD21  LEU   4          HD21      LEU   4   3.276   7.929  -7.587
   31   HD22  LEU   4          HD22      LEU   4   3.942   6.660  -8.616
   32   HD23  LEU   4          HD23      LEU   4   3.375   8.170  -9.331
   33    H    ALA   5           H        ALA   5   6.094   6.200  -4.356
   34    HA   ALA   5           HA       ALA   5   8.940   6.303  -3.962
   35    HB1  ALA   5           HB1      ALA   5   7.625   5.503  -1.582
   36    HB2  ALA   5           HB2      ALA   5   8.305   7.079  -1.985
   37    HB3  ALA   5           HB3      ALA   5   6.623   6.719  -2.373
   38    H    CYS   6           H        CYS   6   7.038   3.891  -5.021
   39    HA   CYS   6           HA       CYS   6   7.607   1.665  -3.451
   40    HB2  CYS   6           HB2      CYS   6   6.724   0.417  -5.159
   41    HB3  CYS   6           HB3      CYS   6   6.133   2.005  -5.638
   42    H    GLY   7           H        GLY   7   9.662   3.503  -5.511
   43    HA2  GLY   7           HA2      GLY   7  11.621   1.431  -5.920
   44    HA3  GLY   7           HA3      GLY   7  11.803   3.134  -6.314
   45    H    LEU   8           H        LEU   8  10.865   3.501  -3.341
   46    HA   LEU   8           HA       LEU   8  13.583   3.573  -2.302
   47    HB2  LEU   8           HB2      LEU   8  10.994   4.634  -1.181
   48    HB3  LEU   8           HB3      LEU   8  12.580   4.857  -0.445
   49    HG   LEU   8           HG       LEU   8  11.846   5.891  -3.180
   50   HD11  LEU   8          HD11      LEU   8  10.520   6.825  -1.186
   51   HD12  LEU   8          HD12      LEU   8  11.320   7.964  -2.269
   52   HD13  LEU   8          HD13      LEU   8  12.045   7.573  -0.710
   53   HD21  LEU   8          HD21      LEU   8  14.300   5.630  -1.781
   54   HD22  LEU   8          HD22      LEU   8  13.899   7.346  -1.864
   55   HD23  LEU   8          HD23      LEU   8  14.000   6.391  -3.344
   56    H    GLY   9           H        GLY   9  13.187   1.039  -2.433
   57    HA2  GLY   9           HA2      GLY   9  13.191  -0.903  -1.207
   58    HA3  GLY   9           HA3      GLY   9  13.243   0.107   0.230
   59    H    CYS  10           H        CYS  10  10.663   0.311  -2.120
   60    HA   CYS  10           HA       CYS  10   8.874  -1.093  -0.252
   61    HB2  CYS  10           HB2      CYS  10   8.485   1.258   0.103
   62    HB3  CYS  10           HB3      CYS  10   8.381   1.551  -1.630
   63    H    HIS  11           H        HIS  11   8.974  -2.927  -1.599
   64    HA   HIS  11           HA       HIS  11   7.308  -2.690  -4.000
   65    HB2  HIS  11           HB2      HIS  11   8.981  -4.640  -4.815
   66    HB3  HIS  11           HB3      HIS  11   9.221  -2.939  -5.203
   67    HD1  HIS  11           HD1      HIS  11  11.309  -1.844  -4.332
   68    HD2  HIS  11           HD2      HIS  11  10.645  -5.588  -2.659
   69    HE1  HIS  11           HE1      HIS  11  13.395  -2.380  -3.034
   70    HA   HYP  12           HA       HYP  12   7.216  -4.530  -5.707
   71    HB2  HYP  12           HB2      HYP  12   4.771  -5.387  -6.520
   72    HB3  HYP  12           HB3      HYP  12   6.161  -6.466  -6.353
   73    HG   HYP  12           HG       HYP  12   3.880  -6.007  -4.468
   74   HD22  HYP  12          HD2       HYP  12   5.203  -6.296  -2.604
   75   HD23  HYP  12          HD3       HYP  12   6.410  -7.251  -3.490
   76    HD1  HYP  12           HOD      HYP  12   5.463  -7.965  -4.677
   77    H    CYS  13           H        CYS  13   5.913  -3.106  -7.128
   78    HA   CYS  13           HA       CYS  13   4.714  -0.974  -5.552
   79    HB2  CYS  13           HB2      CYS  13   5.019  -0.838  -8.526
   80    HB3  CYS  13           HB3      CYS  13   5.163   0.445  -7.329
   81    H    CYS  14           H        CYS  14   2.617  -0.020  -6.003
   82    HA   CYS  14           HA       CYS  14   0.715  -1.948  -6.942
   83    HB2  CYS  14           HB3      CYS  14   0.653   0.358  -5.284
   84    HB3  CYS  14           HB2      CYS  14  -0.721  -0.006  -6.089
   85    HN1  NH2  15           1HN      NH2  15  -0.284  -0.549  -9.931
   86    HN2  NH2  15           2HN      NH2  15  -0.330  -1.885  -8.829
  Start of MODEL    4
    1    H1   CYS   1           H        CYS   1   0.873  -0.810   0.458
    2    HA   CYS   1           HA       CYS   1   3.216  -0.567  -0.815
    3    HB2  CYS   1           HB2      CYS   1   2.124  -1.042  -2.889
    4    HB3  CYS   1           HB3      CYS   1   1.194  -1.835  -1.621
    5    H    CYS   2           H        CYS   2   4.167   0.782  -2.389
    6    HA   CYS   2           HA       CYS   2   3.196   3.563  -2.315
    7    HB2  CYS   2           HB2      CYS   2   6.043   2.829  -2.922
    8    HB3  CYS   2           HB3      CYS   2   5.399   4.343  -2.295
    9    H    ARG   3           H        ARG   3   3.317   4.811  -4.210
   10    HA   ARG   3           HA       ARG   3   3.155   3.224  -6.652
   11    HB2  ARG   3           HB2      ARG   3   2.293   5.998  -5.892
   12    HB3  ARG   3           HB3      ARG   3   2.411   5.532  -7.583
   13    HG2  ARG   3           HG2      ARG   3   0.969   3.504  -6.231
   14    HG3  ARG   3           HG3      ARG   3   0.296   5.064  -5.754
   15    HD2  ARG   3           HD2      ARG   3  -0.031   5.678  -8.064
   16    HD3  ARG   3           HD3      ARG   3   0.775   4.205  -8.604
   17    HE   ARG   3           HE       ARG   3  -1.167   3.046  -8.235
   18   HH11  ARG   3          HH11      ARG   3  -1.368   6.151  -6.674
   19   HH12  ARG   3          HH12      ARG   3  -3.046   5.988  -6.276
   20   HH21  ARG   3          HH21      ARG   3  -3.377   2.819  -7.716
   21   HH22  ARG   3          HH22      ARG   3  -4.188   4.092  -6.868
   22    H    LEU   4           H        LEU   4   4.561   6.394  -5.800
   23    HA   LEU   4           HA       LEU   4   6.546   6.054  -7.909
   24    HB2  LEU   4           HB2      LEU   4   5.550   8.333  -6.276
   25    HB3  LEU   4           HB3      LEU   4   7.175   8.433  -6.950
   26    HG   LEU   4           HG       LEU   4   5.423   9.556  -8.315
   27   HD11  LEU   4          HD11      LEU   4   7.451   7.714  -9.164
   28   HD12  LEU   4          HD12      LEU   4   6.945   9.236  -9.895
   29   HD13  LEU   4          HD13      LEU   4   6.125   7.736 -10.327
   30   HD21  LEU   4          HD21      LEU   4   3.858   8.228  -9.583
   31   HD22  LEU   4          HD22      LEU   4   3.622   7.926  -7.861
   32   HD23  LEU   4          HD23      LEU   4   4.475   6.744  -8.855
   33    H    ALA   5           H        ALA   5   6.338   6.361  -4.405
   34    HA   ALA   5           HA       ALA   5   9.188   6.338  -4.027
   35    HB1  ALA   5           HB1      ALA   5   7.852   5.617  -1.633
   36    HB2  ALA   5           HB2      ALA   5   8.600   7.158  -2.053
   37    HB3  ALA   5           HB3      ALA   5   6.902   6.871  -2.429
   38    H    CYS   6           H        CYS   6   7.173   4.006  -5.056
   39    HA   CYS   6           HA       CYS   6   7.650   1.769  -3.471
   40    HB2  CYS   6           HB2      CYS   6   6.701   0.549  -5.163
   41    HB3  CYS   6           HB3      CYS   6   6.180   2.158  -5.652
   42    H    GLY   7           H        GLY   7   9.774   3.496  -5.556
   43    HA2  GLY   7           HA2      GLY   7  11.635   1.334  -5.959
   44    HA3  GLY   7           HA3      GLY   7  11.892   3.023  -6.367
   45    H    LEU   8           H        LEU   8  10.988   3.456  -3.392
   46    HA   LEU   8           HA       LEU   8  13.712   3.413  -2.368
   47    HB2  LEU   8           HB2      LEU   8  11.165   4.742  -1.535
   48    HB3  LEU   8           HB3      LEU   8  12.510   4.612  -0.404
   49    HG   LEU   8           HG       LEU   8  13.839   5.717  -2.405
   50   HD11  LEU   8          HD11      LEU   8  11.469   5.626  -3.634
   51   HD12  LEU   8          HD12      LEU   8  12.660   6.891  -3.937
   52   HD13  LEU   8          HD13      LEU   8  11.315   7.192  -2.837
   53   HD21  LEU   8          HD21      LEU   8  11.999   7.258  -0.579
   54   HD22  LEU   8          HD22      LEU   8  13.439   7.889  -1.379
   55   HD23  LEU   8          HD23      LEU   8  13.591   6.633  -0.149
   56    H    GLY   9           H        GLY   9  13.202   0.899  -2.477
   57    HA2  GLY   9           HA2      GLY   9  13.124  -1.031  -1.235
   58    HA3  GLY   9           HA3      GLY   9  13.230  -0.012   0.194
   59    H    CYS  10           H        CYS  10  10.648   0.289  -2.144
   60    HA   CYS  10           HA       CYS  10   8.808  -1.017  -0.255
   61    HB2  CYS  10           HB2      CYS  10   8.528   1.351   0.082
   62    HB3  CYS  10           HB3      CYS  10   8.428   1.635  -1.653
   63    H    HIS  11           H        HIS  11   8.817  -2.865  -1.588
   64    HA   HIS  11           HA       HIS  11   7.150  -2.572  -3.982
   65    HB2  HIS  11           HB2      HIS  11   8.729  -4.602  -4.790
   66    HB3  HIS  11           HB3      HIS  11   9.044  -2.917  -5.193
   67    HD1  HIS  11           HD1      HIS  11  11.184  -1.911  -4.342
   68    HD2  HIS  11           HD2      HIS  11  10.361  -5.608  -2.634
   69    HE1  HIS  11           HE1      HIS  11  13.251  -2.530  -3.051
   70    HA   HYP  12           HA       HYP  12   6.966  -4.420  -5.673
   71    HB2  HYP  12           HB2      HYP  12   4.481  -5.171  -6.466
   72    HB3  HYP  12           HB3      HYP  12   5.821  -6.311  -6.297
   73    HG   HYP  12           HG       HYP  12   3.574  -5.735  -4.405
   74   HD22  HYP  12          HD2       HYP  12   4.894  -6.068  -2.545
   75   HD23  HYP  12          HD3       HYP  12   6.050  -7.084  -3.429
   76    HD1  HYP  12           HOD      HYP  12   5.065  -7.764  -4.605
   77    H    CYS  13           H        CYS  13   5.720  -2.949  -7.099
   78    HA   CYS  13           HA       CYS  13   4.628  -0.753  -5.534
   79    HB2  CYS  13           HB2      CYS  13   4.922  -0.654  -8.510
   80    HB3  CYS  13           HB3      CYS  13   5.131   0.631  -7.325
   81    H    CYS  14           H        CYS  14   2.574   0.291  -5.981
   82    HA   CYS  14           HA       CYS  14   0.581  -1.557  -6.893
   83    HB2  CYS  14           HB3      CYS  14   0.632   0.765  -5.256
   84    HB3  CYS  14           HB2      CYS  14  -0.761   0.456  -6.050
   85    HN1  NH2  15           1HN      NH2  15  -0.370  -0.140  -9.890
   86    HN2  NH2  15           2HN      NH2  15  -0.471  -1.463  -8.775
  Start of MODEL    5
    1    H1   CYS   1           H        CYS   1   1.519  -1.179   0.908
    2    HA   CYS   1           HA       CYS   1   3.313  -0.722  -0.692
    3    HB2  CYS   1           HB2      CYS   1   2.173  -1.197  -2.739
    4    HB3  CYS   1           HB3      CYS   1   1.297  -2.025  -1.456
    5    H    CYS   2           H        CYS   2   4.190   0.665  -2.275
    6    HA   CYS   2           HA       CYS   2   3.163   3.424  -2.141
    7    HB2  CYS   2           HB2      CYS   2   6.006   2.758  -2.835
    8    HB3  CYS   2           HB3      CYS   2   5.348   4.251  -2.173
    9    H    ARG   3           H        ARG   3   3.204   4.695  -4.024
   10    HA   ARG   3           HA       ARG   3   3.007   3.132  -6.479
   11    HB2  ARG   3           HB2      ARG   3   2.233   5.979  -5.825
   12    HB3  ARG   3           HB3      ARG   3   2.056   5.256  -7.418
   13    HG2  ARG   3           HG2      ARG   3   0.850   3.592  -5.401
   14    HG3  ARG   3           HG3      ARG   3   0.207   5.234  -5.341
   15    HD2  ARG   3           HD2      ARG   3   0.489   3.877  -7.981
   16    HD3  ARG   3           HD3      ARG   3  -0.850   3.427  -6.925
   17    HE   ARG   3           HE       ARG   3  -0.783   6.214  -7.107
   18   HH11  ARG   3          HH11      ARG   3  -1.394   3.448  -9.130
   19   HH12  ARG   3          HH12      ARG   3  -2.489   4.291 -10.176
   20   HH21  ARG   3          HH21      ARG   3  -2.221   7.335  -8.476
   21   HH22  ARG   3          HH22      ARG   3  -2.958   6.503  -9.804
   22    H    LEU   4           H        LEU   4   4.369   6.322  -5.629
   23    HA   LEU   4           HA       LEU   4   6.300   6.049  -7.796
   24    HB2  LEU   4           HB2      LEU   4   5.322   8.291  -6.095
   25    HB3  LEU   4           HB3      LEU   4   6.909   8.428  -6.851
   26    HG   LEU   4           HG       LEU   4   5.104   9.536  -8.130
   27   HD11  LEU   4          HD11      LEU   4   6.473   9.182  -9.834
   28   HD12  LEU   4          HD12      LEU   4   5.666   7.646 -10.145
   29   HD13  LEU   4          HD13      LEU   4   7.072   7.704  -9.082
   30   HD21  LEU   4          HD21      LEU   4   3.441   8.223  -9.284
   31   HD22  LEU   4          HD22      LEU   4   3.313   7.936  -7.548
   32   HD23  LEU   4          HD23      LEU   4   4.082   6.735  -8.586
   33    H    ALA   5           H        ALA   5   6.185   6.312  -4.285
   34    HA   ALA   5           HA       ALA   5   9.044   6.346  -3.986
   35    HB1  ALA   5           HB1      ALA   5   8.496   7.131  -1.988
   36    HB2  ALA   5           HB2      ALA   5   6.793   6.813  -2.319
   37    HB3  ALA   5           HB3      ALA   5   7.791   5.571  -1.564
   38    H    CYS   6           H        CYS   6   7.051   3.983  -4.986
   39    HA   CYS   6           HA       CYS   6   7.619   1.739  -3.441
   40    HB2  CYS   6           HB2      CYS   6   6.649   0.518  -5.121
   41    HB3  CYS   6           HB3      CYS   6   6.081   2.121  -5.576
   42    H    GLY   7           H        GLY   7   9.647   3.534  -5.564
   43    HA2  GLY   7           HA2      GLY   7  11.541   1.417  -6.044
   44    HA3  GLY   7           HA3      GLY   7  11.750   3.117  -6.440
   45    H    LEU   8           H        LEU   8  10.921   3.497  -3.436
   46    HA   LEU   8           HA       LEU   8  13.674   3.502  -2.489
   47    HB2  LEU   8           HB2      LEU   8  11.121   4.715  -1.475
   48    HB3  LEU   8           HB3      LEU   8  12.594   4.699  -0.508
   49    HG   LEU   8           HG       LEU   8  12.521   5.919  -3.252
   50   HD11  LEU   8          HD11      LEU   8  12.444   7.933  -1.274
   51   HD12  LEU   8          HD12      LEU   8  11.104   6.833  -0.957
   52   HD13  LEU   8          HD13      LEU   8  11.262   7.596  -2.539
   53   HD21  LEU   8          HD21      LEU   8  14.629   5.326  -1.737
   54   HD22  LEU   8          HD22      LEU   8  14.223   6.890  -1.029
   55   HD23  LEU   8          HD23      LEU   8  14.568   6.766  -2.754
   56    H    GLY   9           H        GLY   9  13.214   0.978  -2.612
   57    HA2  GLY   9           HA2      GLY   9  13.212  -0.966  -1.391
   58    HA3  GLY   9           HA3      GLY   9  13.337   0.038   0.046
   59    H    CYS  10           H        CYS  10  10.684   0.310  -2.216
   60    HA   CYS  10           HA       CYS  10   8.926  -1.057  -0.292
   61    HB2  CYS  10           HB2      CYS  10   8.606   1.301   0.080
   62    HB3  CYS  10           HB3      CYS  10   8.451   1.602  -1.647
   63    H    HIS  11           H        HIS  11   8.938  -2.889  -1.646
   64    HA   HIS  11           HA       HIS  11   7.198  -2.606  -3.989
   65    HB2  HIS  11           HB2      HIS  11   8.796  -4.592  -4.864
   66    HB3  HIS  11           HB3      HIS  11   9.064  -2.896  -5.256
   67    HD1  HIS  11           HD1      HIS  11  11.206  -1.854  -4.455
   68    HD2  HIS  11           HD2      HIS  11  10.508  -5.585  -2.766
   69    HE1  HIS  11           HE1      HIS  11  13.321  -2.443  -3.229
   70    HA   HYP  12           HA       HYP  12   7.005  -4.438  -5.696
   71    HB2  HYP  12           HB2      HYP  12   4.515  -5.234  -6.429
   72    HB3  HYP  12           HB3      HYP  12   5.884  -6.347  -6.310
   73    HG   HYP  12           HG       HYP  12   3.679  -5.840  -4.349
   74   HD22  HYP  12          HD2       HYP  12   5.057  -6.165  -2.531
   75   HD23  HYP  12          HD3       HYP  12   6.210  -7.146  -3.459
   76    HD1  HYP  12           HOD      HYP  12   5.207  -7.834  -4.615
   77    H    CYS  13           H        CYS  13   5.689  -2.979  -7.070
   78    HA   CYS  13           HA       CYS  13   4.596  -0.824  -5.449
   79    HB2  CYS  13           HB2      CYS  13   4.804  -0.687  -8.432
   80    HB3  CYS  13           HB3      CYS  13   5.018   0.590  -7.238
   81    H    CYS  14           H        CYS  14   2.508   0.181  -5.828
   82    HA   CYS  14           HA       CYS  14   0.530  -1.700  -6.706
   83    HB2  CYS  14           HB3      CYS  14   0.578   0.604  -5.043
   84    HB3  CYS  14           HB2      CYS  14  -0.830   0.274  -5.802
   85    HN1  NH2  15           1HN      NH2  15  -0.535  -0.270  -9.657
   86    HN2  NH2  15           2HN      NH2  15  -0.576  -1.607  -8.556
  Start of MODEL    6
    1    H1   CYS   1           H        CYS   1   1.561  -0.932   0.640
    2    HA   CYS   1           HA       CYS   1   3.085  -0.685  -1.076
    3    HB2  CYS   1           HB2      CYS   1   2.093  -1.186  -3.193
    4    HB3  CYS   1           HB3      CYS   1   1.125  -1.995  -1.965
    5    H    CYS   2           H        CYS   2   4.076   0.680  -2.612
    6    HA   CYS   2           HA       CYS   2   3.048   3.441  -2.587
    7    HB2  CYS   2           HB2      CYS   2   5.932   2.763  -3.069
    8    HB3  CYS   2           HB3      CYS   2   5.232   4.265  -2.474
    9    H    ARG   3           H        ARG   3   3.226   4.687  -4.479
   10    HA   ARG   3           HA       ARG   3   3.200   3.092  -6.921
   11    HB2  ARG   3           HB2      ARG   3   2.149   5.764  -6.121
   12    HB3  ARG   3           HB3      ARG   3   2.527   5.503  -7.819
   13    HG2  ARG   3           HG2      ARG   3   0.302   4.930  -7.726
   14    HG3  ARG   3           HG3      ARG   3   1.089   3.361  -7.545
   15    HD2  ARG   3           HD2      ARG   3  -0.491   3.303  -5.862
   16    HD3  ARG   3           HD3      ARG   3   0.939   3.873  -5.003
   17    HE   ARG   3           HE       ARG   3  -0.112   5.879  -4.652
   18   HH11  ARG   3          HH11      ARG   3  -1.828   4.095  -7.100
   19   HH12  ARG   3          HH12      ARG   3  -3.166   5.195  -7.149
   20   HH21  ARG   3          HH21      ARG   3  -1.867   7.335  -4.708
   21   HH22  ARG   3          HH22      ARG   3  -3.186   7.038  -5.789
   22    H    LEU   4           H        LEU   4   4.506   6.291  -6.019
   23    HA   LEU   4           HA       LEU   4   6.585   5.987  -8.039
   24    HB2  LEU   4           HB2      LEU   4   5.515   8.256  -6.426
   25    HB3  LEU   4           HB3      LEU   4   7.135   8.376  -7.110
   26    HG   LEU   4           HG       LEU   4   5.491   9.481  -8.527
   27   HD11  LEU   4          HD11      LEU   4   5.976   7.254 -10.301
   28   HD12  LEU   4          HD12      LEU   4   7.398   7.628  -9.328
   29   HD13  LEU   4          HD13      LEU   4   6.655   8.882 -10.321
   30   HD21  LEU   4          HD21      LEU   4   3.529   8.170  -7.929
   31   HD22  LEU   4          HD22      LEU   4   4.210   6.757  -8.737
   32   HD23  LEU   4          HD23      LEU   4   3.764   8.182  -9.678
   33    H    ALA   5           H        ALA   5   6.221   6.296  -4.548
   34    HA   ALA   5           HA       ALA   5   9.052   6.330  -4.048
   35    HB1  ALA   5           HB1      ALA   5   8.365   7.143  -2.104
   36    HB2  ALA   5           HB2      ALA   5   6.689   6.823  -2.552
   37    HB3  ALA   5           HB3      ALA   5   7.629   5.589  -1.711
   38    H    CYS   6           H        CYS   6   7.129   3.958  -5.156
   39    HA   CYS   6           HA       CYS   6   7.581   1.733  -3.545
   40    HB2  CYS   6           HB2      CYS   6   6.731   0.491  -5.274
   41    HB3  CYS   6           HB3      CYS   6   6.200   2.089  -5.789
   42    H    GLY   7           H        GLY   7   9.759   3.498  -5.542
   43    HA2  GLY   7           HA2      GLY   7  11.678   1.372  -5.858
   44    HA3  GLY   7           HA3      GLY   7  11.919   3.066  -6.261
   45    H    LEU   8           H        LEU   8  10.879   3.487  -3.329
   46    HA   LEU   8           HA       LEU   8  13.557   3.500  -2.188
   47    HB2  LEU   8           HB2      LEU   8  10.954   4.789  -1.486
   48    HB3  LEU   8           HB3      LEU   8  12.232   4.671  -0.278
   49    HG   LEU   8           HG       LEU   8  13.684   5.815  -2.129
   50   HD11  LEU   8          HD11      LEU   8  12.637   6.965  -3.790
   51   HD12  LEU   8          HD12      LEU   8  11.134   7.130  -2.885
   52   HD13  LEU   8          HD13      LEU   8  11.533   5.596  -3.656
   53   HD21  LEU   8          HD21      LEU   8  11.828   6.896  -0.115
   54   HD22  LEU   8          HD22      LEU   8  12.426   8.055  -1.302
   55   HD23  LEU   8          HD23      LEU   8  13.564   7.141  -0.311
   56    H    GLY   9           H        GLY   9  13.102   0.976  -2.311
   57    HA2  GLY   9           HA2      GLY   9  13.009  -0.952  -1.068
   58    HA3  GLY   9           HA3      GLY   9  13.033   0.071   0.361
   59    H    CYS  10           H        CYS  10  10.549   0.316  -2.087
   60    HA   CYS  10           HA       CYS  10   8.656  -1.022  -0.275
   61    HB2  CYS  10           HB2      CYS  10   8.315   1.341   0.043
   62    HB3  CYS  10           HB3      CYS  10   8.284   1.619  -1.695
   63    H    HIS  11           H        HIS  11   8.759  -2.873  -1.600
   64    HA   HIS  11           HA       HIS  11   7.191  -2.618  -4.065
   65    HB2  HIS  11           HB2      HIS  11   8.843  -4.617  -4.798
   66    HB3  HIS  11           HB3      HIS  11   9.141  -2.927  -5.192
   67    HD1  HIS  11           HD1      HIS  11  11.223  -1.877  -4.254
   68    HD2  HIS  11           HD2      HIS  11  10.399  -5.586  -2.571
   69    HE1  HIS  11           HE1      HIS  11  13.245  -2.453  -2.873
   70    HA   HYP  12           HA       HYP  12   7.116  -4.472  -5.757
   71    HB2  HYP  12           HB2      HYP  12   4.683  -5.275  -6.654
   72    HB3  HYP  12           HB3      HYP  12   6.037  -6.388  -6.424
   73    HG   HYP  12           HG       HYP  12   3.700  -5.852  -4.632
   74   HD22  HYP  12          HD2       HYP  12   4.944  -6.155  -2.716
   75   HD23  HYP  12          HD3       HYP  12   6.158  -7.149  -3.547
   76    HD1  HYP  12           HOD      HYP  12   5.238  -7.851  -4.762
   77    H    CYS  13           H        CYS  13   5.904  -3.030  -7.239
   78    HA   CYS  13           HA       CYS  13   4.703  -0.853  -5.729
   79    HB2  CYS  13           HB2      CYS  13   5.122  -0.754  -8.690
   80    HB3  CYS  13           HB3      CYS  13   5.254   0.537  -7.501
   81    H    CYS  14           H        CYS  14   2.649   0.150  -6.268
   82    HA   CYS  14           HA       CYS  14   0.734  -1.740  -7.259
   83    HB2  CYS  14           HB3      CYS  14   0.669   0.586  -5.628
   84    HB3  CYS  14           HB2      CYS  14  -0.682   0.248  -6.481
   85    HN1  NH2  15           1HN      NH2  15  -0.114  -0.349 -10.298
   86    HN2  NH2  15           2HN      NH2  15  -0.237  -1.670  -9.185
  Start of MODEL    7
    1    H1   CYS   1           H        CYS   1   0.611  -0.225   0.262
    2    HA   CYS   1           HA       CYS   1   3.252  -0.895  -0.861
    3    HB2  CYS   1           HB2      CYS   1   2.200  -1.424  -2.942
    4    HB3  CYS   1           HB3      CYS   1   1.304  -2.266  -1.682
    5    H    CYS   2           H        CYS   2   4.142   0.503  -2.428
    6    HA   CYS   2           HA       CYS   2   3.027   3.230  -2.360
    7    HB2  CYS   2           HB2      CYS   2   5.913   2.645  -2.947
    8    HB3  CYS   2           HB3      CYS   2   5.187   4.123  -2.324
    9    H    ARG   3           H        ARG   3   3.097   4.484  -4.254
   10    HA   ARG   3           HA       ARG   3   3.033   2.892  -6.697
   11    HB2  ARG   3           HB2      ARG   3   1.923   5.524  -5.851
   12    HB3  ARG   3           HB3      ARG   3   2.253   5.285  -7.561
   13    HG2  ARG   3           HG2      ARG   3   0.884   3.136  -7.335
   14    HG3  ARG   3           HG3      ARG   3   0.331   3.811  -5.801
   15    HD2  ARG   3           HD2      ARG   3   0.146   5.278  -8.423
   16    HD3  ARG   3           HD3      ARG   3  -1.148   4.263  -7.788
   17    HE   ARG   3           HE       ARG   3  -0.462   6.075  -5.795
   18   HH11  ARG   3          HH11      ARG   3  -1.804   6.121  -9.007
   19   HH12  ARG   3          HH12      ARG   3  -2.734   7.558  -8.739
   20   HH21  ARG   3          HH21      ARG   3  -1.682   7.968  -5.430
   21   HH22  ARG   3          HH22      ARG   3  -2.663   8.608  -6.704
   22    H    LEU   4           H        LEU   4   4.268   6.130  -5.835
   23    HA   LEU   4           HA       LEU   4   6.281   5.895  -7.930
   24    HB2  LEU   4           HB2      LEU   4   5.133   8.113  -6.322
   25    HB3  LEU   4           HB3      LEU   4   6.774   8.305  -6.934
   26    HG   LEU   4           HG       LEU   4   5.141   9.362  -8.404
   27   HD11  LEU   4          HD11      LEU   4   7.230   7.838  -9.157
   28   HD12  LEU   4          HD12      LEU   4   6.239   8.771 -10.278
   29   HD13  LEU   4          HD13      LEU   4   5.928   7.050 -10.049
   30   HD21  LEU   4          HD21      LEU   4   3.203   8.003  -7.959
   31   HD22  LEU   4          HD22      LEU   4   3.992   6.584  -8.648
   32   HD23  LEU   4          HD23      LEU   4   3.565   7.947  -9.684
   33    H    ALA   5           H        ALA   5   6.034   6.188  -4.428
   34    HA   ALA   5           HA       ALA   5   8.879   6.312  -4.030
   35    HB1  ALA   5           HB1      ALA   5   8.238   7.100  -2.061
   36    HB2  ALA   5           HB2      ALA   5   6.558   6.727  -2.448
   37    HB3  ALA   5           HB3      ALA   5   7.566   5.523  -1.645
   38    H    CYS   6           H        CYS   6   6.994   3.880  -5.073
   39    HA   CYS   6           HA       CYS   6   7.576   1.670  -3.486
   40    HB2  CYS   6           HB2      CYS   6   6.703   0.403  -5.185
   41    HB3  CYS   6           HB3      CYS   6   6.103   1.984  -5.677
   42    H    GLY   7           H        GLY   7   9.622   3.506  -5.556
   43    HA2  GLY   7           HA2      GLY   7  11.595   1.443  -5.947
   44    HA3  GLY   7           HA3      GLY   7  11.766   3.144  -6.353
   45    H    LEU   8           H        LEU   8  10.821   3.528  -3.385
   46    HA   LEU   8           HA       LEU   8  13.537   3.626  -2.342
   47    HB2  LEU   8           HB2      LEU   8  10.917   4.807  -1.500
   48    HB3  LEU   8           HB3      LEU   8  12.287   4.773  -0.392
   49    HG   LEU   8           HG       LEU   8  12.421   6.057  -3.111
   50   HD11  LEU   8          HD11      LEU   8  12.341   8.038  -1.140
   51   HD12  LEU   8          HD12      LEU   8  11.002   6.949  -0.779
   52   HD13  LEU   8          HD13      LEU   8  11.126   7.697  -2.371
   53   HD21  LEU   8          HD21      LEU   8  14.110   6.264  -0.622
   54   HD22  LEU   8          HD22      LEU   8  14.310   7.263  -2.062
   55   HD23  LEU   8          HD23      LEU   8  14.567   5.520  -2.154
   56    H    GLY   9           H        GLY   9  13.158   1.089  -2.454
   57    HA2  GLY   9           HA2      GLY   9  13.173  -0.843  -1.213
   58    HA3  GLY   9           HA3      GLY   9  13.216   0.178   0.216
   59    H    CYS  10           H        CYS  10  10.638   0.347  -2.139
   60    HA   CYS  10           HA       CYS  10   8.855  -1.054  -0.263
   61    HB2  CYS  10           HB2      CYS  10   8.451   1.296   0.073
   62    HB3  CYS  10           HB3      CYS  10   8.348   1.576  -1.663
   63    H    HIS  11           H        HIS  11   8.969  -2.898  -1.596
   64    HA   HIS  11           HA       HIS  11   7.306  -2.691  -4.001
   65    HB2  HIS  11           HB2      HIS  11   8.993  -4.636  -4.799
   66    HB3  HIS  11           HB3      HIS  11   9.223  -2.936  -5.199
   67    HD1  HIS  11           HD1      HIS  11  11.303  -1.821  -4.334
   68    HD2  HIS  11           HD2      HIS  11  10.659  -5.556  -2.632
   69    HE1  HIS  11           HE1      HIS  11  13.390  -2.334  -3.029
   70    HA   HYP  12           HA       HYP  12   7.229  -4.545  -5.694
   71    HB2  HYP  12           HB2      HYP  12   4.791  -5.423  -6.504
   72    HB3  HYP  12           HB3      HYP  12   6.187  -6.493  -6.326
   73    HG   HYP  12           HG       HYP  12   3.901  -6.034  -4.449
   74   HD22  HYP  12          HD2       HYP  12   5.223  -6.300  -2.580
   75   HD23  HYP  12          HD3       HYP  12   6.437  -7.254  -3.457
   76    HD1  HYP  12           HOD      HYP  12   5.497  -7.983  -4.639
   77    H    CYS  13           H        CYS  13   5.918  -3.140  -7.128
   78    HA   CYS  13           HA       CYS  13   4.704  -1.004  -5.570
   79    HB2  CYS  13           HB2      CYS  13   5.013  -0.889  -8.545
   80    HB3  CYS  13           HB3      CYS  13   5.145   0.405  -7.358
   81    H    CYS  14           H        CYS  14   2.601  -0.067  -6.032
   82    HA   CYS  14           HA       CYS  14   0.713  -2.015  -6.958
   83    HB2  CYS  14           HB3      CYS  14   0.633   0.304  -5.319
   84    HB3  CYS  14           HB2      CYS  14  -0.737  -0.076  -6.123
   85    HN1  NH2  15           1HN      NH2  15  -0.290  -0.647  -9.960
   86    HN2  NH2  15           2HN      NH2  15  -0.330  -1.974  -8.847
  Start of MODEL    8
    1    H1   CYS   1           H        CYS   1   1.152  -1.130   0.768
    2    HA   CYS   1           HA       CYS   1   3.370  -0.767  -0.628
    3    HB2  CYS   1           HB2      CYS   1   2.201  -1.229  -2.662
    4    HB3  CYS   1           HB3      CYS   1   1.343  -2.066  -1.372
    5    H    CYS   2           H        CYS   2   4.224   0.630  -2.215
    6    HA   CYS   2           HA       CYS   2   3.197   3.388  -2.049
    7    HB2  CYS   2           HB2      CYS   2   6.031   2.728  -2.788
    8    HB3  CYS   2           HB3      CYS   2   5.382   4.216  -2.106
    9    H    ARG   3           H        ARG   3   3.212   4.671  -3.924
   10    HA   ARG   3           HA       ARG   3   2.980   3.124  -6.386
   11    HB2  ARG   3           HB2      ARG   3   2.174   5.935  -5.642
   12    HB3  ARG   3           HB3      ARG   3   2.062   5.315  -7.284
   13    HG2  ARG   3           HG2      ARG   3   0.817   3.490  -5.451
   14    HG3  ARG   3           HG3      ARG   3   0.160   5.115  -5.248
   15    HD2  ARG   3           HD2      ARG   3   0.466   3.822  -7.945
   16    HD3  ARG   3           HD3      ARG   3  -0.979   3.612  -6.956
   17    HE   ARG   3           HE       ARG   3  -0.615   6.318  -7.089
   18   HH11  ARG   3          HH11      ARG   3  -0.984   3.753  -9.414
   19   HH12  ARG   3          HH12      ARG   3  -1.741   4.762 -10.602
   20   HH21  ARG   3          HH21      ARG   3  -1.610   7.657  -8.645
   21   HH22  ARG   3          HH22      ARG   3  -2.095   6.983 -10.164
   22    H    LEU   4           H        LEU   4   4.353   6.308  -5.535
   23    HA   LEU   4           HA       LEU   4   6.253   6.051  -7.731
   24    HB2  LEU   4           HB2      LEU   4   5.286   8.279  -6.010
   25    HB3  LEU   4           HB3      LEU   4   6.873   8.425  -6.764
   26    HG   LEU   4           HG       LEU   4   5.101   9.546  -8.049
   27   HD11  LEU   4          HD11      LEU   4   6.277   9.118  -9.881
   28   HD12  LEU   4          HD12      LEU   4   5.661   7.468  -9.963
   29   HD13  LEU   4          HD13      LEU   4   7.086   7.830  -8.989
   30   HD21  LEU   4          HD21      LEU   4   3.279   7.984  -7.425
   31   HD22  LEU   4          HD22      LEU   4   3.994   6.777  -8.495
   32   HD23  LEU   4          HD23      LEU   4   3.376   8.290  -9.159
   33    H    ALA   5           H        ALA   5   6.188   6.291  -4.216
   34    HA   ALA   5           HA       ALA   5   9.051   6.324  -3.959
   35    HB1  ALA   5           HB1      ALA   5   8.531   7.096  -1.948
   36    HB2  ALA   5           HB2      ALA   5   6.824   6.779  -2.257
   37    HB3  ALA   5           HB3      ALA   5   7.834   5.533  -1.524
   38    H    CYS   6           H        CYS   6   7.044   3.967  -4.945
   39    HA   CYS   6           HA       CYS   6   7.635   1.713  -3.423
   40    HB2  CYS   6           HB2      CYS   6   6.642   0.502  -5.097
   41    HB3  CYS   6           HB3      CYS   6   6.067   2.108  -5.533
   42    H    GLY   7           H        GLY   7   9.632   3.523  -5.564
   43    HA2  GLY   7           HA2      GLY   7  11.520   1.410  -6.084
   44    HA3  GLY   7           HA3      GLY   7  11.723   3.112  -6.472
   45    H    LEU   8           H        LEU   8  10.937   3.473  -3.454
   46    HA   LEU   8           HA       LEU   8  13.703   3.472  -2.546
   47    HB2  LEU   8           HB2      LEU   8  11.164   4.690  -1.511
   48    HB3  LEU   8           HB3      LEU   8  12.629   4.645  -0.534
   49    HG   LEU   8           HG       LEU   8  13.586   5.775  -2.794
   50   HD11  LEU   8          HD11      LEU   8  10.926   7.106  -2.513
   51   HD12  LEU   8          HD12      LEU   8  11.120   5.728  -3.596
   52   HD13  LEU   8          HD13      LEU   8  12.085   7.184  -3.840
   53   HD21  LEU   8          HD21      LEU   8  13.845   7.663  -1.522
   54   HD22  LEU   8          HD22      LEU   8  13.499   6.476  -0.264
   55   HD23  LEU   8          HD23      LEU   8  12.225   7.557  -0.833
   56    H    GLY   9           H        GLY   9  13.242   0.950  -2.680
   57    HA2  GLY   9           HA2      GLY   9  13.258  -1.003  -1.471
   58    HA3  GLY   9           HA3      GLY   9  13.403  -0.008  -0.030
   59    H    CYS  10           H        CYS  10  10.719   0.277  -2.251
   60    HA   CYS  10           HA       CYS  10   8.988  -1.103  -0.311
   61    HB2  CYS  10           HB2      CYS  10   8.673   1.253   0.081
   62    HB3  CYS  10           HB3      CYS  10   8.493   1.565  -1.642
   63    H    HIS  11           H        HIS  11   8.981  -2.926  -1.677
   64    HA   HIS  11           HA       HIS  11   7.208  -2.629  -3.994
   65    HB2  HIS  11           HB2      HIS  11   8.794  -4.608  -4.904
   66    HB3  HIS  11           HB3      HIS  11   9.055  -2.909  -5.289
   67    HD1  HIS  11           HD1      HIS  11  11.207  -1.870  -4.508
   68    HD2  HIS  11           HD2      HIS  11  10.538  -5.616  -2.840
   69    HE1  HIS  11           HE1      HIS  11  13.340  -2.467  -3.317
   70    HA   HYP  12           HA       HYP  12   6.992  -4.449  -5.709
   71    HB2  HYP  12           HB2      HYP  12   4.492  -5.242  -6.411
   72    HB3  HYP  12           HB3      HYP  12   5.862  -6.355  -6.320
   73    HG   HYP  12           HG       HYP  12   3.686  -5.861  -4.324
   74   HD22  HYP  12          HD2       HYP  12   5.089  -6.198  -2.528
   75   HD23  HYP  12          HD3       HYP  12   6.229  -7.172  -3.479
   76    HD1  HYP  12           HOD      HYP  12   5.210  -7.853  -4.624
   77    H    CYS  13           H        CYS  13   5.656  -2.982  -7.054
   78    HA   CYS  13           HA       CYS  13   4.584  -0.838  -5.404
   79    HB2  CYS  13           HB2      CYS  13   4.750  -0.681  -8.388
   80    HB3  CYS  13           HB3      CYS  13   4.980   0.587  -7.189
   81    H    CYS  14           H        CYS  14   2.491   0.168  -5.746
   82    HA   CYS  14           HA       CYS  14   0.501  -1.708  -6.608
   83    HB2  CYS  14           HB3      CYS  14   0.572   0.585  -4.932
   84    HB3  CYS  14           HB2      CYS  14  -0.846   0.259  -5.672
   85    HN1  NH2  15           1HN      NH2  15  -0.605  -0.259  -9.535
   86    HN2  NH2  15           2HN      NH2  15  -0.631  -1.603  -8.442
  Start of MODEL    9
    1    H1   CYS   1           H        CYS   1   0.713  -1.053   0.107
    2    HA   CYS   1           HA       CYS   1   3.071  -0.719  -1.083
    3    HB2  CYS   1           HB2      CYS   1   2.085  -1.242  -3.198
    4    HB3  CYS   1           HB3      CYS   1   1.127  -2.057  -1.967
    5    H    CYS   2           H        CYS   2   4.046   0.649  -2.624
    6    HA   CYS   2           HA       CYS   2   2.985   3.399  -2.613
    7    HB2  CYS   2           HB2      CYS   2   5.878   2.752  -3.089
    8    HB3  CYS   2           HB3      CYS   2   5.160   4.248  -2.503
    9    H    ARG   3           H        ARG   3   3.151   4.638  -4.511
   10    HA   ARG   3           HA       ARG   3   3.146   3.032  -6.945
   11    HB2  ARG   3           HB2      ARG   3   2.049   5.682  -6.149
   12    HB3  ARG   3           HB3      ARG   3   2.454   5.446  -7.844
   13    HG2  ARG   3           HG2      ARG   3   0.250   4.821  -7.811
   14    HG3  ARG   3           HG3      ARG   3   1.052   3.265  -7.588
   15    HD2  ARG   3           HD2      ARG   3  -0.697   3.339  -5.999
   16    HD3  ARG   3           HD3      ARG   3   0.794   3.627  -5.104
   17    HE   ARG   3           HE       ARG   3   0.056   5.742  -4.610
   18   HH11  ARG   3          HH11      ARG   3  -1.920   4.386  -7.135
   19   HH12  ARG   3          HH12      ARG   3  -3.089   5.664  -7.085
   20   HH21  ARG   3          HH21      ARG   3  -1.476   7.430  -4.535
   21   HH22  ARG   3          HH22      ARG   3  -2.835   7.395  -5.606
   22    H    LEU   4           H        LEU   4   4.413   6.249  -6.057
   23    HA   LEU   4           HA       LEU   4   6.498   5.960  -8.074
   24    HB2  LEU   4           HB2      LEU   4   5.336   8.211  -6.523
   25    HB3  LEU   4           HB3      LEU   4   7.003   8.366  -7.075
   26    HG   LEU   4           HG       LEU   4   5.372   9.435  -8.587
   27   HD11  LEU   4          HD11      LEU   4   6.931   9.059 -10.113
   28   HD12  LEU   4          HD12      LEU   4   6.178   7.508 -10.485
   29   HD13  LEU   4          HD13      LEU   4   7.446   7.602  -9.263
   30   HD21  LEU   4          HD21      LEU   4   3.710   8.284  -9.713
   31   HD22  LEU   4          HD22      LEU   4   3.642   7.567  -8.103
   32   HD23  LEU   4          HD23      LEU   4   4.453   6.712  -9.416
   33    H    ALA   5           H        ALA   5   6.127   6.282  -4.585
   34    HA   ALA   5           HA       ALA   5   8.957   6.351  -4.083
   35    HB1  ALA   5           HB1      ALA   5   8.259   7.165  -2.143
   36    HB2  ALA   5           HB2      ALA   5   6.587   6.823  -2.590
   37    HB3  ALA   5           HB3      ALA   5   7.541   5.605  -1.744
   38    H    CYS   6           H        CYS   6   7.063   3.951  -5.181
   39    HA   CYS   6           HA       CYS   6   7.540   1.740  -3.560
   40    HB2  CYS   6           HB2      CYS   6   6.705   0.480  -5.283
   41    HB3  CYS   6           HB3      CYS   6   6.156   2.069  -5.806
   42    H    GLY   7           H        GLY   7   9.699   3.520  -5.563
   43    HA2  GLY   7           HA2      GLY   7  11.642   1.415  -5.868
   44    HA3  GLY   7           HA3      GLY   7  11.863   3.110  -6.278
   45    H    LEU   8           H        LEU   8  10.817   3.533  -3.349
   46    HA   LEU   8           HA       LEU   8  13.494   3.582  -2.206
   47    HB2  LEU   8           HB2      LEU   8  10.865   4.802  -1.432
   48    HB3  LEU   8           HB3      LEU   8  12.233   4.786  -0.320
   49    HG   LEU   8           HG       LEU   8  12.454   5.983  -3.066
   50   HD11  LEU   8          HD11      LEU   8  11.376   7.852  -2.498
   51   HD12  LEU   8          HD12      LEU   8  12.066   7.864  -0.875
   52   HD13  LEU   8          HD13      LEU   8  10.639   6.887  -1.219
   53   HD21  LEU   8          HD21      LEU   8  14.360   5.414  -1.254
   54   HD22  LEU   8          HD22      LEU   8  13.904   7.033  -0.721
   55   HD23  LEU   8          HD23      LEU   8  14.454   6.771  -2.377
   56    H    GLY   9           H        GLY   9  13.067   1.053  -2.318
   57    HA2  GLY   9           HA2      GLY   9  12.996  -0.871  -1.065
   58    HA3  GLY   9           HA3      GLY   9  13.007   0.159   0.359
   59    H    CYS  10           H        CYS  10  10.522   0.364  -2.092
   60    HA   CYS  10           HA       CYS  10   8.643  -0.988  -0.275
   61    HB2  CYS  10           HB2      CYS  10   8.275   1.372   0.031
   62    HB3  CYS  10           HB3      CYS  10   8.242   1.642  -1.708
   63    H    HIS  11           H        HIS  11   8.769  -2.843  -1.592
   64    HA   HIS  11           HA       HIS  11   7.200  -2.618  -4.059
   65    HB2  HIS  11           HB2      HIS  11   8.875  -4.602  -4.781
   66    HB3  HIS  11           HB3      HIS  11   9.154  -2.910  -5.183
   67    HD1  HIS  11           HD1      HIS  11  11.223  -1.831  -4.246
   68    HD2  HIS  11           HD2      HIS  11  10.442  -5.542  -2.550
   69    HE1  HIS  11           HE1      HIS  11  13.250  -2.377  -2.862
   70    HA   HYP  12           HA       HYP  12   7.148  -4.481  -5.742
   71    HB2  HYP  12           HB2      HYP  12   4.725  -5.316  -6.637
   72    HB3  HYP  12           HB3      HYP  12   6.091  -6.412  -6.401
   73    HG   HYP  12           HG       HYP  12   3.747  -5.895  -4.613
   74   HD22  HYP  12          HD2       HYP  12   4.993  -6.174  -2.695
   75   HD23  HYP  12          HD3       HYP  12   6.218  -7.159  -3.520
   76    HD1  HYP  12           HOD      HYP  12   5.308  -7.877  -4.732
   77    H    CYS  13           H        CYS  13   5.921  -3.060  -7.232
   78    HA   CYS  13           HA       CYS  13   4.693  -0.889  -5.734
   79    HB2  CYS  13           HB2      CYS  13   5.114  -0.801  -8.695
   80    HB3  CYS  13           HB3      CYS  13   5.229   0.498  -7.512
   81    H    CYS  14           H        CYS  14   2.629   0.087  -6.279
   82    HA   CYS  14           HA       CYS  14   0.737  -1.829  -7.263
   83    HB2  CYS  14           HB3      CYS  14   0.643   0.502  -5.642
   84    HB3  CYS  14           HB2      CYS  14  -0.703   0.145  -6.494
   85    HN1  NH2  15           1HN      NH2  15  -0.126  -0.461 -10.308
   86    HN2  NH2  15           2HN      NH2  15  -0.234  -1.779  -9.190
  Start of MODEL   10
    1    H1   CYS   1           H        CYS   1   1.453   0.333   0.897
    2    HA   CYS   1           HA       CYS   1   3.345  -0.878  -0.722
    3    HB2  CYS   1           HB2      CYS   1   2.222  -1.359  -2.778
    4    HB3  CYS   1           HB3      CYS   1   1.353  -2.208  -1.504
    5    H    CYS   2           H        CYS   2   4.206   0.533  -2.293
    6    HA   CYS   2           HA       CYS   2   3.133   3.274  -2.147
    7    HB2  CYS   2           HB2      CYS   2   5.991   2.659  -2.832
    8    HB3  CYS   2           HB3      CYS   2   5.305   4.136  -2.163
    9    H    ARG   3           H        ARG   3   3.163   4.557  -4.022
   10    HA   ARG   3           HA       ARG   3   3.002   3.007  -6.487
   11    HB2  ARG   3           HB2      ARG   3   2.121   5.791  -5.737
   12    HB3  ARG   3           HB3      ARG   3   2.085   5.207  -7.396
   13    HG2  ARG   3           HG2      ARG   3   0.795   3.217  -5.990
   14    HG3  ARG   3           HG3      ARG   3   0.255   4.703  -5.205
   15    HD2  ARG   3           HD2      ARG   3   0.138   4.119  -8.162
   16    HD3  ARG   3           HD3      ARG   3  -1.226   4.067  -7.046
   17    HE   ARG   3           HE       ARG   3   0.090   6.599  -7.019
   18   HH11  ARG   3          HH11      ARG   3  -2.196   4.642  -8.770
   19   HH12  ARG   3          HH12      ARG   3  -3.028   5.998  -9.456
   20   HH21  ARG   3          HH21      ARG   3  -0.998   8.391  -7.916
   21   HH22  ARG   3          HH22      ARG   3  -2.345   8.130  -8.971
   22    H    LEU   4           H        LEU   4   4.308   6.213  -5.612
   23    HA   LEU   4           HA       LEU   4   6.253   5.985  -7.771
   24    HB2  LEU   4           HB2      LEU   4   5.171   8.188  -6.105
   25    HB3  LEU   4           HB3      LEU   4   6.807   8.372  -6.733
   26    HG   LEU   4           HG       LEU   4   5.070   9.459  -8.127
   27   HD11  LEU   4          HD11      LEU   4   6.558   9.187  -9.744
   28   HD12  LEU   4          HD12      LEU   4   5.873   7.604 -10.110
   29   HD13  LEU   4          HD13      LEU   4   7.186   7.747  -8.942
   30   HD21  LEU   4          HD21      LEU   4   3.564   8.105  -9.453
   31   HD22  LEU   4          HD22      LEU   4   3.285   7.808  -7.737
   32   HD23  LEU   4          HD23      LEU   4   4.183   6.634  -8.701
   33    H    ALA   5           H        ALA   5   6.117   6.224  -4.258
   34    HA   ALA   5           HA       ALA   5   8.975   6.302  -3.947
   35    HB1  ALA   5           HB1      ALA   5   8.405   7.066  -1.946
   36    HB2  ALA   5           HB2      ALA   5   6.708   6.722  -2.287
   37    HB3  ALA   5           HB3      ALA   5   7.724   5.492  -1.535
   38    H    CYS   6           H        CYS   6   7.024   3.914  -4.970
   39    HA   CYS   6           HA       CYS   6   7.622   1.670  -3.437
   40    HB2  CYS   6           HB2      CYS   6   6.680   0.443  -5.129
   41    HB3  CYS   6           HB3      CYS   6   6.088   2.040  -5.576
   42    H    GLY   7           H        GLY   7   9.631   3.511  -5.539
   43    HA2  GLY   7           HA2      GLY   7  11.561   1.428  -6.024
   44    HA3  GLY   7           HA3      GLY   7  11.744   3.133  -6.408
   45    H    LEU   8           H        LEU   8  10.896   3.482  -3.406
   46    HA   LEU   8           HA       LEU   8  13.643   3.525  -2.446
   47    HB2  LEU   8           HB2      LEU   8  11.067   4.729  -1.508
   48    HB3  LEU   8           HB3      LEU   8  12.466   4.655  -0.439
   49    HG   LEU   8           HG       LEU   8  13.665   5.850  -2.452
   50   HD11  LEU   8          HD11      LEU   8  12.336   6.389  -4.143
   51   HD12  LEU   8          HD12      LEU   8  11.482   7.487  -3.059
   52   HD13  LEU   8          HD13      LEU   8  10.909   5.833  -3.268
   53   HD21  LEU   8          HD21      LEU   8  13.367   6.745  -0.181
   54   HD22  LEU   8          HD22      LEU   8  11.752   7.300  -0.624
   55   HD23  LEU   8          HD23      LEU   8  13.170   7.987  -1.418
   56    H    GLY   9           H        GLY   9  13.225   0.995  -2.587
   57    HA2  GLY   9           HA2      GLY   9  13.250  -0.957  -1.378
   58    HA3  GLY   9           HA3      GLY   9  13.351   0.040   0.065
   59    H    CYS  10           H        CYS  10  10.705   0.283  -2.207
   60    HA   CYS  10           HA       CYS  10   8.961  -1.124  -0.299
   61    HB2  CYS  10           HB2      CYS  10   8.601   1.225   0.086
   62    HB3  CYS  10           HB3      CYS  10   8.449   1.535  -1.640
   63    H    HIS  11           H        HIS  11   9.008  -2.948  -1.664
   64    HA   HIS  11           HA       HIS  11   7.275  -2.678  -4.014
   65    HB2  HIS  11           HB2      HIS  11   8.909  -4.632  -4.894
   66    HB3  HIS  11           HB3      HIS  11   9.150  -2.929  -5.274
   67    HD1  HIS  11           HD1      HIS  11  11.271  -1.857  -4.453
   68    HD2  HIS  11           HD2      HIS  11  10.628  -5.612  -2.797
   69    HE1  HIS  11           HE1      HIS  11  13.390  -2.420  -3.222
   70    HA   HYP  12           HA       HYP  12   7.120  -4.502  -5.733
   71    HB2  HYP  12           HB2      HYP  12   4.646  -5.334  -6.482
   72    HB3  HYP  12           HB3      HYP  12   6.032  -6.425  -6.364
   73    HG   HYP  12           HG       HYP  12   3.811  -5.966  -4.410
   74   HD22  HYP  12          HD2       HYP  12   5.186  -6.281  -2.588
   75   HD23  HYP  12          HD3       HYP  12   6.358  -7.237  -3.517
   76    HD1  HYP  12           HOD      HYP  12   5.372  -7.933  -4.681
   77    H    CYS  13           H        CYS  13   5.786  -3.056  -7.103
   78    HA   CYS  13           HA       CYS  13   4.650  -0.930  -5.475
   79    HB2  CYS  13           HB2      CYS  13   4.869  -0.770  -8.455
   80    HB3  CYS  13           HB3      CYS  13   5.057   0.502  -7.252
   81    H    CYS  14           H        CYS  14   2.548   0.043  -5.856
   82    HA   CYS  14           HA       CYS  14   0.605  -1.864  -6.755
   83    HB2  CYS  14           HB3      CYS  14   0.608   0.430  -5.078
   84    HB3  CYS  14           HB2      CYS  14  -0.791   0.082  -5.845
   85    HN1  NH2  15           1HN      NH2  15  -0.469  -0.433  -9.702
   86    HN2  NH2  15           2HN      NH2  15  -0.494  -1.777  -8.610
  Start of MODEL   11
    1    H1   CYS   1           H        CYS   1   0.968   0.527   0.315
    2    HA   CYS   1           HA       CYS   1   3.111  -0.719  -1.056
    3    HB2  CYS   1           HB2      CYS   1   2.110  -1.217  -3.170
    4    HB3  CYS   1           HB3      CYS   1   1.152  -2.033  -1.940
    5    H    CYS   2           H        CYS   2   4.090   0.653  -2.593
    6    HA   CYS   2           HA       CYS   2   3.052   3.411  -2.556
    7    HB2  CYS   2           HB2      CYS   2   5.937   2.744  -3.053
    8    HB3  CYS   2           HB3      CYS   2   5.234   4.242  -2.451
    9    H    ARG   3           H        ARG   3   3.217   4.663  -4.445
   10    HA   ARG   3           HA       ARG   3   3.185   3.075  -6.891
   11    HB2  ARG   3           HB2      ARG   3   2.114   5.728  -6.069
   12    HB3  ARG   3           HB3      ARG   3   2.508   5.501  -7.768
   13    HG2  ARG   3           HG2      ARG   3   0.312   4.877  -7.753
   14    HG3  ARG   3           HG3      ARG   3   1.092   3.316  -7.488
   15    HD2  ARG   3           HD2      ARG   3  -0.570   3.335  -5.873
   16    HD3  ARG   3           HD3      ARG   3   0.845   3.889  -4.979
   17    HE   ARG   3           HE       ARG   3  -0.149   5.944  -4.729
   18   HH11  ARG   3          HH11      ARG   3  -1.890   4.088  -7.105
   19   HH12  ARG   3          HH12      ARG   3  -3.211   5.204  -7.200
   20   HH21  ARG   3          HH21      ARG   3  -1.882   7.422  -4.846
   21   HH22  ARG   3          HH22      ARG   3  -3.205   7.101  -5.915
   22    H    LEU   4           H        LEU   4   4.484   6.276  -5.986
   23    HA   LEU   4           HA       LEU   4   6.554   5.985  -8.017
   24    HB2  LEU   4           HB2      LEU   4   5.453   8.240  -6.416
   25    HB3  LEU   4           HB3      LEU   4   7.094   8.376  -7.045
   26    HG   LEU   4           HG       LEU   4   5.479   9.479  -8.503
   27   HD11  LEU   4          HD11      LEU   4   6.376   8.729 -10.485
   28   HD12  LEU   4          HD12      LEU   4   6.316   7.035  -9.998
   29   HD13  LEU   4          HD13      LEU   4   7.540   8.105  -9.315
   30   HD21  LEU   4          HD21      LEU   4   3.520   8.126  -7.993
   31   HD22  LEU   4          HD22      LEU   4   4.255   6.737  -8.794
   32   HD23  LEU   4          HD23      LEU   4   3.817   8.166  -9.731
   33    H    ALA   5           H        ALA   5   6.206   6.283  -4.524
   34    HA   ALA   5           HA       ALA   5   9.039   6.326  -4.037
   35    HB1  ALA   5           HB1      ALA   5   8.359   7.130  -2.088
   36    HB2  ALA   5           HB2      ALA   5   6.682   6.805  -2.528
   37    HB3  ALA   5           HB3      ALA   5   7.630   5.573  -1.696
   38    H    CYS   6           H        CYS   6   7.120   3.949  -5.142
   39    HA   CYS   6           HA       CYS   6   7.587   1.722  -3.541
   40    HB2  CYS   6           HB2      CYS   6   6.732   0.482  -5.268
   41    HB3  CYS   6           HB3      CYS   6   6.193   2.079  -5.776
   42    H    GLY   7           H        GLY   7   9.749   3.500  -5.543
   43    HA2  GLY   7           HA2      GLY   7  11.673   1.382  -5.874
   44    HA3  GLY   7           HA3      GLY   7  11.906   3.077  -6.273
   45    H    LEU   8           H        LEU   8  10.880   3.487  -3.335
   46    HA   LEU   8           HA       LEU   8  13.563   3.506  -2.207
   47    HB2  LEU   8           HB2      LEU   8  10.959   4.783  -1.488
   48    HB3  LEU   8           HB3      LEU   8  12.243   4.667  -0.287
   49    HG   LEU   8           HG       LEU   8  13.678   5.818  -2.155
   50   HD11  LEU   8          HD11      LEU   8  12.422   7.325  -3.556
   51   HD12  LEU   8          HD12      LEU   8  10.902   6.741  -2.880
   52   HD13  LEU   8          HD13      LEU   8  11.900   5.668  -3.861
   53   HD21  LEU   8          HD21      LEU   8  12.189   6.709   0.082
   54   HD22  LEU   8          HD22      LEU   8  12.048   7.936  -1.177
   55   HD23  LEU   8          HD23      LEU   8  13.641   7.420  -0.623
   56    H    GLY   9           H        GLY   9  13.116   0.981  -2.335
   57    HA2  GLY   9           HA2      GLY   9  13.036  -0.952  -1.097
   58    HA3  GLY   9           HA3      GLY   9  13.063   0.068   0.335
   59    H    CYS  10           H        CYS  10  10.567   0.311  -2.100
   60    HA   CYS  10           HA       CYS  10   8.686  -1.039  -0.283
   61    HB2  CYS  10           HB2      CYS  10   8.339   1.321   0.043
   62    HB3  CYS  10           HB3      CYS  10   8.299   1.605  -1.694
   63    H    HIS  11           H        HIS  11   8.790  -2.886  -1.614
   64    HA   HIS  11           HA       HIS  11   7.209  -2.629  -4.071
   65    HB2  HIS  11           HB2      HIS  11   8.864  -4.621  -4.817
   66    HB3  HIS  11           HB3      HIS  11   9.155  -2.929  -5.208
   67    HD1  HIS  11           HD1      HIS  11  11.237  -1.873  -4.275
   68    HD2  HIS  11           HD2      HIS  11  10.436  -5.591  -2.602
   69    HE1  HIS  11           HE1      HIS  11  13.267  -2.446  -2.906
   70    HA   HYP  12           HA       HYP  12   7.132  -4.479  -5.768
   71    HB2  HYP  12           HB2      HYP  12   4.697  -5.287  -6.655
   72    HB3  HYP  12           HB3      HYP  12   6.056  -6.396  -6.435
   73    HG   HYP  12           HG       HYP  12   3.726  -5.873  -4.630
   74   HD22  HYP  12          HD2       HYP  12   4.981  -6.178  -2.721
   75   HD23  HYP  12          HD3       HYP  12   6.194  -7.166  -3.560
   76    HD1  HYP  12           HOD      HYP  12   5.270  -7.867  -4.773
   77    H    CYS  13           H        CYS  13   5.908  -3.037  -7.240
   78    HA   CYS  13           HA       CYS  13   4.707  -0.868  -5.718
   79    HB2  CYS  13           HB2      CYS  13   5.112  -0.760  -8.681
   80    HB3  CYS  13           HB3      CYS  13   5.245   0.529  -7.488
   81    H    CYS  14           H        CYS  14   2.647   0.129  -6.244
   82    HA   CYS  14           HA       CYS  14   0.734  -1.764  -7.232
   83    HB2  CYS  14           HB3      CYS  14   0.669   0.556  -5.593
   84    HB3  CYS  14           HB2      CYS  14  -0.685   0.216  -6.440
   85    HN1  NH2  15           1HN      NH2  15  -0.134  -0.366 -10.262
   86    HN2  NH2  15           2HN      NH2  15  -0.247  -1.692  -9.153
  Start of MODEL   12
    1    H1   CYS   1           H        CYS   1   0.928  -0.715   0.686
    2    HA   CYS   1           HA       CYS   1   3.352  -0.598  -0.611
    3    HB2  CYS   1           HB2      CYS   1   2.177  -1.051  -2.644
    4    HB3  CYS   1           HB3      CYS   1   1.297  -1.856  -1.348
    5    H    CYS   2           H        CYS   2   4.241   0.766  -2.208
    6    HA   CYS   2           HA       CYS   2   3.278   3.547  -2.067
    7    HB2  CYS   2           HB2      CYS   2   6.098   2.816  -2.795
    8    HB3  CYS   2           HB3      CYS   2   5.482   4.324  -2.127
    9    H    ARG   3           H        ARG   3   3.326   4.814  -3.953
   10    HA   ARG   3           HA       ARG   3   3.063   3.252  -6.402
   11    HB2  ARG   3           HB2      ARG   3   2.147   5.940  -5.494
   12    HB3  ARG   3           HB3      ARG   3   2.364   5.679  -7.219
   13    HG2  ARG   3           HG2      ARG   3   0.936   3.463  -6.414
   14    HG3  ARG   3           HG3      ARG   3   0.253   4.775  -5.451
   15    HD2  ARG   3           HD2      ARG   3  -0.452   5.951  -7.316
   16    HD3  ARG   3           HD3      ARG   3   0.704   5.151  -8.380
   17    HE   ARG   3           HE       ARG   3  -0.968   3.155  -7.563
   18   HH11  ARG   3          HH11      ARG   3  -1.388   6.238  -9.123
   19   HH12  ARG   3          HH12      ARG   3  -2.800   5.749 -10.000
   20   HH21  ARG   3          HH21      ARG   3  -2.827   2.499  -8.711
   21   HH22  ARG   3          HH22      ARG   3  -3.618   3.622  -9.764
   22    H    LEU   4           H        LEU   4   4.508   6.411  -5.576
   23    HA   LEU   4           HA       LEU   4   6.406   6.090  -7.765
   24    HB2  LEU   4           HB2      LEU   4   5.509   8.358  -6.051
   25    HB3  LEU   4           HB3      LEU   4   7.081   8.456  -6.843
   26    HG   LEU   4           HG       LEU   4   5.365   9.613  -8.128
   27   HD11  LEU   4          HD11      LEU   4   6.322   9.003 -10.047
   28   HD12  LEU   4          HD12      LEU   4   5.732   7.346  -9.917
   29   HD13  LEU   4          HD13      LEU   4   7.213   7.823  -9.087
   30   HD21  LEU   4          HD21      LEU   4   3.419   8.342  -7.432
   31   HD22  LEU   4          HD22      LEU   4   4.024   6.914  -8.271
   32   HD23  LEU   4          HD23      LEU   4   3.550   8.343  -9.190
   33    H    ALA   5           H        ALA   5   6.339   6.362  -4.253
   34    HA   ALA   5           HA       ALA   5   9.202   6.331  -3.990
   35    HB1  ALA   5           HB1      ALA   5   6.982   6.852  -2.297
   36    HB2  ALA   5           HB2      ALA   5   7.962   5.589  -1.551
   37    HB3  ALA   5           HB3      ALA   5   8.695   7.132  -1.986
   38    H    CYS   6           H        CYS   6   7.143   4.013  -4.961
   39    HA   CYS   6           HA       CYS   6   7.679   1.759  -3.419
   40    HB2  CYS   6           HB2      CYS   6   6.661   0.557  -5.084
   41    HB3  CYS   6           HB3      CYS   6   6.124   2.172  -5.535
   42    H    GLY   7           H        GLY   7   9.722   3.504  -5.570
   43    HA2  GLY   7           HA2      GLY   7  11.560   1.343  -6.068
   44    HA3  GLY   7           HA3      GLY   7  11.804   3.037  -6.470
   45    H    LEU   8           H        LEU   8  11.021   3.441  -3.457
   46    HA   LEU   8           HA       LEU   8  13.784   3.385  -2.544
   47    HB2  LEU   8           HB2      LEU   8  11.274   4.706  -1.593
   48    HB3  LEU   8           HB3      LEU   8  12.667   4.567  -0.522
   49    HG   LEU   8           HG       LEU   8  13.875   5.675  -2.633
   50   HD11  LEU   8          HD11      LEU   8  12.509   7.259  -3.751
   51   HD12  LEU   8          HD12      LEU   8  11.127   6.899  -2.717
   52   HD13  LEU   8          HD13      LEU   8  11.694   5.700  -3.879
   53   HD21  LEU   8          HD21      LEU   8  12.272   7.349  -0.716
   54   HD22  LEU   8          HD22      LEU   8  13.833   7.719  -1.449
   55   HD23  LEU   8          HD23      LEU   8  13.709   6.449  -0.231
   56    H    GLY   9           H        GLY   9  13.265   0.872  -2.657
   57    HA2  GLY   9           HA2      GLY   9  13.234  -1.070  -1.432
   58    HA3  GLY   9           HA3      GLY   9  13.399  -0.066   0.001
   59    H    CYS  10           H        CYS  10  10.726   0.262  -2.228
   60    HA   CYS  10           HA       CYS  10   8.961  -1.061  -0.280
   61    HB2  CYS  10           HB2      CYS  10   8.699   1.304   0.092
   62    HB3  CYS  10           HB3      CYS  10   8.530   1.606  -1.635
   63    H    HIS  11           H        HIS  11   8.914  -2.895  -1.630
   64    HA   HIS  11           HA       HIS  11   7.153  -2.577  -3.953
   65    HB2  HIS  11           HB2      HIS  11   8.694  -4.600  -4.844
   66    HB3  HIS  11           HB3      HIS  11   8.996  -2.911  -5.242
   67    HD1  HIS  11           HD1      HIS  11  11.170  -1.916  -4.468
   68    HD2  HIS  11           HD2      HIS  11  10.409  -5.629  -2.765
   69    HE1  HIS  11           HE1      HIS  11  13.286  -2.552  -3.267
   70    HA   HYP  12           HA       HYP  12   6.898  -4.407  -5.654
   71    HB2  HYP  12           HB2      HYP  12   4.381  -5.147  -6.354
   72    HB3  HYP  12           HB3      HYP  12   5.725  -6.290  -6.250
   73    HG   HYP  12           HG       HYP  12   3.557  -5.730  -4.263
   74   HD22  HYP  12          HD2       HYP  12   4.949  -6.084  -2.461
   75   HD23  HYP  12          HD3       HYP  12   6.068  -7.092  -3.402
   76    HD1  HYP  12           HOD      HYP  12   5.036  -7.759  -4.544
   77    H    CYS  13           H        CYS  13   5.598  -2.921  -7.014
   78    HA   CYS  13           HA       CYS  13   4.574  -0.739  -5.384
   79    HB2  CYS  13           HB2      CYS  13   4.748  -0.611  -8.369
   80    HB3  CYS  13           HB3      CYS  13   5.006   0.662  -7.180
   81    H    CYS  14           H        CYS  14   2.505   0.313  -5.739
   82    HA   CYS  14           HA       CYS  14   0.474  -1.524  -6.589
   83    HB2  CYS  14           HB3      CYS  14   0.595   0.781  -4.932
   84    HB3  CYS  14           HB2      CYS  14  -0.830   0.482  -5.672
   85    HN1  NH2  15           1HN      NH2  15  -0.594  -0.075  -9.530
   86    HN2  NH2  15           2HN      NH2  15  -0.652  -1.409  -8.426
  Start of MODEL   13
    1    H1   CYS   1           H        CYS   1   2.106  -0.777   1.189
    2    HA   CYS   1           HA       CYS   1   3.304  -0.844  -0.745
    3    HB2  CYS   1           HB2      CYS   1   2.200  -1.332  -2.809
    4    HB3  CYS   1           HB3      CYS   1   1.318  -2.177  -1.541
    5    H    CYS   2           H        CYS   2   4.181   0.560  -2.313
    6    HA   CYS   2           HA       CYS   2   3.109   3.302  -2.188
    7    HB2  CYS   2           HB2      CYS   2   5.972   2.682  -2.843
    8    HB3  CYS   2           HB3      CYS   2   5.281   4.163  -2.187
    9    H    ARG   3           H        ARG   3   3.157   4.578  -4.067
   10    HA   ARG   3           HA       ARG   3   3.019   3.018  -6.528
   11    HB2  ARG   3           HB2      ARG   3   2.185   5.845  -5.869
   12    HB3  ARG   3           HB3      ARG   3   2.057   5.140  -7.475
   13    HG2  ARG   3           HG2      ARG   3   0.807   3.298  -5.825
   14    HG3  ARG   3           HG3      ARG   3   0.311   4.867  -5.189
   15    HD2  ARG   3           HD2      ARG   3   0.084   3.965  -8.058
   16    HD3  ARG   3           HD3      ARG   3  -1.240   4.062  -6.898
   17    HE   ARG   3           HE       ARG   3   0.134   6.552  -7.229
   18   HH11  ARG   3          HH11      ARG   3  -2.323   4.472  -8.555
   19   HH12  ARG   3          HH12      ARG   3  -3.180   5.763  -9.332
   20   HH21  ARG   3          HH21      ARG   3  -0.985   8.259  -8.247
   21   HH22  ARG   3          HH22      ARG   3  -2.418   7.916  -9.156
   22    H    LEU   4           H        LEU   4   4.320   6.226  -5.653
   23    HA   LEU   4           HA       LEU   4   6.285   5.988  -7.792
   24    HB2  LEU   4           HB2      LEU   4   5.192   8.200  -6.144
   25    HB3  LEU   4           HB3      LEU   4   6.832   8.378  -6.763
   26    HG   LEU   4           HG       LEU   4   5.098   9.460  -8.170
   27   HD11  LEU   4          HD11      LEU   4   6.757   9.186  -9.628
   28   HD12  LEU   4          HD12      LEU   4   5.862   7.791 -10.229
   29   HD13  LEU   4          HD13      LEU   4   7.130   7.572  -9.024
   30   HD21  LEU   4          HD21      LEU   4   4.245   6.821  -9.213
   31   HD22  LEU   4          HD22      LEU   4   3.369   8.350  -9.137
   32   HD23  LEU   4          HD23      LEU   4   3.539   7.358  -7.688
   33    H    ALA   5           H        ALA   5   6.116   6.241  -4.282
   34    HA   ALA   5           HA       ALA   5   8.970   6.319  -3.943
   35    HB1  ALA   5           HB1      ALA   5   6.687   6.746  -2.308
   36    HB2  ALA   5           HB2      ALA   5   7.695   5.519  -1.541
   37    HB3  ALA   5           HB3      ALA   5   8.380   7.091  -1.951
   38    H    CYS   6           H        CYS   6   7.028   3.928  -4.976
   39    HA   CYS   6           HA       CYS   6   7.609   1.689  -3.429
   40    HB2  CYS   6           HB2      CYS   6   6.682   0.457  -5.124
   41    HB3  CYS   6           HB3      CYS   6   6.095   2.052  -5.584
   42    H    GLY   7           H        GLY   7   9.639   3.521  -5.519
   43    HA2  GLY   7           HA2      GLY   7  11.572   1.434  -5.976
   44    HA3  GLY   7           HA3      GLY   7  11.760   3.138  -6.365
   45    H    LEU   8           H        LEU   8  10.883   3.498  -3.373
   46    HA   LEU   8           HA       LEU   8  13.622   3.543  -2.387
   47    HB2  LEU   8           HB2      LEU   8  11.099   4.574  -1.100
   48    HB3  LEU   8           HB3      LEU   8  12.750   4.893  -0.572
   49    HG   LEU   8           HG       LEU   8  11.674   5.783  -3.240
   50   HD11  LEU   8          HD11      LEU   8  12.003   7.979  -1.518
   51   HD12  LEU   8          HD12      LEU   8  11.046   6.788  -0.638
   52   HD13  LEU   8          HD13      LEU   8  10.505   7.361  -2.215
   53   HD21  LEU   8          HD21      LEU   8  14.213   6.079  -1.752
   54   HD22  LEU   8          HD22      LEU   8  13.628   7.496  -2.623
   55   HD23  LEU   8          HD23      LEU   8  13.917   5.986  -3.488
   56    H    GLY   9           H        GLY   9  13.203   1.013  -2.522
   57    HA2  GLY   9           HA2      GLY   9  13.214  -0.934  -1.305
   58    HA3  GLY   9           HA3      GLY   9  13.303   0.069   0.135
   59    H    CYS  10           H        CYS  10  10.679   0.305  -2.163
   60    HA   CYS  10           HA       CYS  10   8.915  -1.093  -0.267
   61    HB2  CYS  10           HB2      CYS  10   8.553   1.258   0.106
   62    HB3  CYS  10           HB3      CYS  10   8.418   1.561  -1.623
   63    H    HIS  11           H        HIS  11   8.974  -2.922  -1.624
   64    HA   HIS  11           HA       HIS  11   7.263  -2.661  -3.991
   65    HB2  HIS  11           HB2      HIS  11   8.904  -4.620  -4.848
   66    HB3  HIS  11           HB3      HIS  11   9.151  -2.919  -5.232
   67    HD1  HIS  11           HD1      HIS  11  11.264  -1.845  -4.397
   68    HD2  HIS  11           HD2      HIS  11  10.602  -5.592  -2.729
   69    HE1  HIS  11           HE1      HIS  11  13.371  -2.404  -3.142
   70    HA   HYP  12           HA       HYP  12   7.123  -4.491  -5.705
   71    HB2  HYP  12           HB2      HYP  12   4.656  -5.324  -6.474
   72    HB3  HYP  12           HB3      HYP  12   6.040  -6.416  -6.339
   73    HG   HYP  12           HG       HYP  12   3.801  -5.947  -4.408
   74   HD22  HYP  12          HD2       HYP  12   5.157  -6.256  -2.571
   75   HD23  HYP  12          HD3       HYP  12   6.338  -7.216  -3.484
   76    HD1  HYP  12           HOD      HYP  12   5.362  -7.917  -4.656
   77    H    CYS  13           H        CYS  13   5.804  -3.050  -7.094
   78    HA   CYS  13           HA       CYS  13   4.655  -0.916  -5.484
   79    HB2  CYS  13           HB2      CYS  13   4.903  -0.768  -8.463
   80    HB3  CYS  13           HB3      CYS  13   5.080   0.508  -7.264
   81    H    CYS  14           H        CYS  14   2.557   0.058  -5.890
   82    HA   CYS  14           HA       CYS  14   0.621  -1.851  -6.800
   83    HB2  CYS  14           HB3      CYS  14   0.610   0.448  -5.132
   84    HB3  CYS  14           HB2      CYS  14  -0.782   0.099  -5.911
   85    HN1  NH2  15           1HN      NH2  15  -0.424  -0.431  -9.763
   86    HN2  NH2  15           2HN      NH2  15  -0.460  -1.771  -8.666
  Start of MODEL   14
    1    H1   CYS   1           H        CYS   1   0.234  -0.435  -0.314
    2    HA   CYS   1           HA       CYS   1   2.960  -0.677  -1.230
    3    HB2  CYS   1           HB2      CYS   1   2.028  -1.215  -3.365
    4    HB3  CYS   1           HB3      CYS   1   1.036  -2.017  -2.153
    5    H    CYS   2           H        CYS   2   3.978   0.677  -2.756
    6    HA   CYS   2           HA       CYS   2   2.924   3.429  -2.795
    7    HB2  CYS   2           HB2      CYS   2   5.826   2.772  -3.191
    8    HB3  CYS   2           HB3      CYS   2   5.096   4.275  -2.636
    9    H    ARG   3           H        ARG   3   3.140   4.652  -4.698
   10    HA   ARG   3           HA       ARG   3   3.194   3.025  -7.119
   11    HB2  ARG   3           HB2      ARG   3   2.075   5.677  -6.368
   12    HB3  ARG   3           HB3      ARG   3   2.536   5.442  -8.049
   13    HG2  ARG   3           HG2      ARG   3   0.362   4.779  -8.139
   14    HG3  ARG   3           HG3      ARG   3   1.130   3.233  -7.773
   15    HD2  ARG   3           HD2      ARG   3  -0.763   3.482  -6.334
   16    HD3  ARG   3           HD3      ARG   3   0.694   3.667  -5.359
   17    HE   ARG   3           HE       ARG   3  -0.220   6.190  -6.253
   18   HH11  ARG   3          HH11      ARG   3  -0.957   3.659  -3.979
   19   HH12  ARG   3          HH12      ARG   3  -1.737   4.720  -2.852
   20   HH21  ARG   3          HH21      ARG   3  -1.244   7.596  -4.778
   21   HH22  ARG   3          HH22      ARG   3  -1.900   6.959  -3.308
   22    H    LEU   4           H        LEU   4   4.446   6.248  -6.224
   23    HA   LEU   4           HA       LEU   4   6.581   5.938  -8.185
   24    HB2  LEU   4           HB2      LEU   4   5.384   8.204  -6.684
   25    HB3  LEU   4           HB3      LEU   4   7.065   8.351  -7.192
   26    HG   LEU   4           HG       LEU   4   5.481   9.412  -8.757
   27   HD11  LEU   4          HD11      LEU   4   6.643   7.062 -10.183
   28   HD12  LEU   4          HD12      LEU   4   7.708   8.215  -9.381
   29   HD13  LEU   4          HD13      LEU   4   6.615   8.762 -10.652
   30   HD21  LEU   4          HD21      LEU   4   4.042   8.010 -10.148
   31   HD22  LEU   4          HD22      LEU   4   3.593   7.899  -8.446
   32   HD23  LEU   4          HD23      LEU   4   4.504   6.593  -9.205
   33    H    ALA   5           H        ALA   5   6.121   6.289  -4.709
   34    HA   ALA   5           HA       ALA   5   8.938   6.357  -4.135
   35    HB1  ALA   5           HB1      ALA   5   6.530   6.845  -2.709
   36    HB2  ALA   5           HB2      ALA   5   7.459   5.632  -1.827
   37    HB3  ALA   5           HB3      ALA   5   8.190   7.188  -2.220
   38    H    CYS   6           H        CYS   6   7.067   3.951  -5.262
   39    HA   CYS   6           HA       CYS   6   7.497   1.753  -3.611
   40    HB2  CYS   6           HB2      CYS   6   6.704   0.480  -5.344
   41    HB3  CYS   6           HB3      CYS   6   6.172   2.066  -5.894
   42    H    GLY   7           H        GLY   7   9.711   3.512  -5.572
   43    HA2  GLY   7           HA2      GLY   7  11.657   1.401  -5.809
   44    HA3  GLY   7           HA3      GLY   7  11.892   3.092  -6.227
   45    H    LEU   8           H        LEU   8  10.771   3.541  -3.330
   46    HA   LEU   8           HA       LEU   8  13.418   3.595  -2.119
   47    HB2  LEU   8           HB2      LEU   8  10.773   4.827  -1.426
   48    HB3  LEU   8           HB3      LEU   8  12.108   4.815  -0.275
   49    HG   LEU   8           HG       LEU   8  12.689   5.901  -2.967
   50   HD11  LEU   8          HD11      LEU   8  11.761   8.115  -2.274
   51   HD12  LEU   8          HD12      LEU   8  10.896   7.284  -0.983
   52   HD13  LEU   8          HD13      LEU   8  10.546   6.899  -2.667
   53   HD21  LEU   8          HD21      LEU   8  14.361   6.937  -1.885
   54   HD22  LEU   8          HD22      LEU   8  14.032   5.762  -0.612
   55   HD23  LEU   8          HD23      LEU   8  13.339   7.382  -0.518
   56    H    GLY   9           H        GLY   9  12.989   1.065  -2.221
   57    HA2  GLY   9           HA2      GLY   9  12.881  -0.848  -0.955
   58    HA3  GLY   9           HA3      GLY   9  12.858   0.194   0.460
   59    H    CYS  10           H        CYS  10  10.438   0.383  -2.055
   60    HA   CYS  10           HA       CYS  10   8.509  -0.950  -0.277
   61    HB2  CYS  10           HB2      CYS  10   8.138   1.413   0.001
   62    HB3  CYS  10           HB3      CYS  10   8.151   1.669  -1.741
   63    H    HIS  11           H        HIS  11   8.665  -2.816  -1.574
   64    HA   HIS  11           HA       HIS  11   7.161  -2.609  -4.083
   65    HB2  HIS  11           HB2      HIS  11   8.850  -4.602  -4.746
   66    HB3  HIS  11           HB3      HIS  11   9.143  -2.914  -5.154
   67    HD1  HIS  11           HD1      HIS  11  11.190  -1.832  -4.175
   68    HD2  HIS  11           HD2      HIS  11  10.356  -5.525  -2.465
   69    HE1  HIS  11           HE1      HIS  11  13.179  -2.370  -2.733
   70    HA   HYP  12           HA       HYP  12   7.148  -4.485  -5.752
   71    HB2  HYP  12           HB2      HYP  12   4.747  -5.323  -6.702
   72    HB3  HYP  12           HB3      HYP  12   6.105  -6.420  -6.422
   73    HG   HYP  12           HG       HYP  12   3.716  -5.883  -4.699
   74   HD22  HYP  12          HD2       HYP  12   4.912  -6.150  -2.747
   75   HD23  HYP  12          HD3       HYP  12   6.156  -7.143  -3.532
   76    HD1  HYP  12           HOD      HYP  12   5.276  -7.869  -4.762
   77    H    CYS  13           H        CYS  13   5.963  -3.074  -7.285
   78    HA   CYS  13           HA       CYS  13   4.702  -0.889  -5.836
   79    HB2  CYS  13           HB2      CYS  13   5.199  -0.825  -8.786
   80    HB3  CYS  13           HB3      CYS  13   5.287   0.483  -7.610
   81    H    CYS  14           H        CYS  14   2.654   0.086  -6.441
   82    HA   CYS  14           HA       CYS  14   0.784  -1.834  -7.458
   83    HB2  CYS  14           HB3      CYS  14   0.654   0.511  -5.861
   84    HB3  CYS  14           HB2      CYS  14  -0.671   0.149  -6.744
   85    HN1  NH2  15           1HN      NH2  15   0.003  -0.491 -10.537
   86    HN2  NH2  15           2HN      NH2  15  -0.137  -1.799  -9.410
  Start of MODEL   15
    1    H1   CYS   1           H        CYS   1   0.752  -0.370   0.783
    2    HA   CYS   1           HA       CYS   1   3.332  -0.671  -0.497
    3    HB2  CYS   1           HB2      CYS   1   2.112  -1.120  -2.504
    4    HB3  CYS   1           HB3      CYS   1   1.276  -1.949  -1.195
    5    H    CYS   2           H        CYS   2   4.163   0.719  -2.103
    6    HA   CYS   2           HA       CYS   2   3.169   3.486  -1.911
    7    HB2  CYS   2           HB2      CYS   2   5.978   2.798  -2.715
    8    HB3  CYS   2           HB3      CYS   2   5.359   4.292  -2.018
    9    H    ARG   3           H        ARG   3   3.153   4.771  -3.785
   10    HA   ARG   3           HA       ARG   3   2.848   3.229  -6.242
   11    HB2  ARG   3           HB2      ARG   3   1.923   5.899  -5.287
   12    HB3  ARG   3           HB3      ARG   3   2.097   5.651  -7.019
   13    HG2  ARG   3           HG2      ARG   3   0.712   3.414  -6.007
   14    HG3  ARG   3           HG3      ARG   3  -0.023   4.852  -5.294
   15    HD2  ARG   3           HD2      ARG   3  -1.137   4.332  -7.367
   16    HD3  ARG   3           HD3      ARG   3  -0.221   5.827  -7.556
   17    HE   ARG   3           HE       ARG   3   1.368   3.666  -8.387
   18   HH11  ARG   3          HH11      ARG   3  -1.470   5.436  -9.353
   19   HH12  ARG   3          HH12      ARG   3  -1.250   5.123 -11.042
   20   HH21  ARG   3          HH21      ARG   3   1.669   3.247 -10.609
   21   HH22  ARG   3          HH22      ARG   3   0.535   3.876 -11.756
   22    H    LEU   4           H        LEU   4   4.273   6.398  -5.421
   23    HA   LEU   4           HA       LEU   4   6.119   6.123  -7.660
   24    HB2  LEU   4           HB2      LEU   4   5.188   8.355  -5.934
   25    HB3  LEU   4           HB3      LEU   4   6.782   8.492  -6.673
   26    HG   LEU   4           HG       LEU   4   5.084   9.640  -7.993
   27   HD11  LEU   4          HD11      LEU   4   5.522   7.468  -9.850
   28   HD12  LEU   4          HD12      LEU   4   6.974   7.833  -8.918
   29   HD13  LEU   4          HD13      LEU   4   6.182   9.104  -9.849
   30   HD21  LEU   4          HD21      LEU   4   3.169   8.239  -7.341
   31   HD22  LEU   4          HD22      LEU   4   3.815   6.923  -8.321
   32   HD23  LEU   4          HD23      LEU   4   3.298   8.424  -9.090
   33    H    ALA   5           H        ALA   5   6.137   6.361  -4.145
   34    HA   ALA   5           HA       ALA   5   9.006   6.365  -3.953
   35    HB1  ALA   5           HB1      ALA   5   6.822   6.841  -2.201
   36    HB2  ALA   5           HB2      ALA   5   7.837   5.584  -1.492
   37    HB3  ALA   5           HB3      ALA   5   8.539   7.142  -1.931
   38    H    CYS   6           H        CYS   6   6.953   4.029  -4.895
   39    HA   CYS   6           HA       CYS   6   7.556   1.769  -3.388
   40    HB2  CYS   6           HB2      CYS   6   6.513   0.569  -5.039
   41    HB3  CYS   6           HB3      CYS   6   5.944   2.181  -5.461
   42    H    GLY   7           H        GLY   7   9.522   3.560  -5.573
   43    HA2  GLY   7           HA2      GLY   7  11.376   1.428  -6.138
   44    HA3  GLY   7           HA3      GLY   7  11.587   3.128  -6.529
   45    H    LEU   8           H        LEU   8  10.874   3.495  -3.494
   46    HA   LEU   8           HA       LEU   8  13.660   3.465  -2.650
   47    HB2  LEU   8           HB2      LEU   8  11.165   4.666  -1.475
   48    HB3  LEU   8           HB3      LEU   8  12.720   4.689  -0.646
   49    HG   LEU   8           HG       LEU   8  12.336   5.891  -3.377
   50   HD11  LEU   8          HD11      LEU   8  10.815   6.823  -1.503
   51   HD12  LEU   8          HD12      LEU   8  11.765   7.945  -2.477
   52   HD13  LEU   8          HD13      LEU   8  12.309   7.504  -0.859
   53   HD21  LEU   8          HD21      LEU   8  14.485   5.781  -1.344
   54   HD22  LEU   8          HD22      LEU   8  14.272   7.306  -2.205
   55   HD23  LEU   8          HD23      LEU   8  14.586   5.821  -3.105
   56    H    GLY   9           H        GLY   9  13.171   0.948  -2.774
   57    HA2  GLY   9           HA2      GLY   9  13.195  -1.006  -1.567
   58    HA3  GLY   9           HA3      GLY   9  13.383  -0.013  -0.129
   59    H    CYS  10           H        CYS  10  10.651   0.301  -2.288
   60    HA   CYS  10           HA       CYS  10   8.952  -1.063  -0.310
   61    HB2  CYS  10           HB2      CYS  10   8.670   1.295   0.091
   62    HB3  CYS  10           HB3      CYS  10   8.453   1.610  -1.628
   63    H    HIS  11           H        HIS  11   8.895  -2.886  -1.676
   64    HA   HIS  11           HA       HIS  11   7.072  -2.568  -3.951
   65    HB2  HIS  11           HB2      HIS  11   8.617  -4.563  -4.899
   66    HB3  HIS  11           HB3      HIS  11   8.886  -2.867  -5.288
   67    HD1  HIS  11           HD1      HIS  11  11.067  -1.851  -4.558
   68    HD2  HIS  11           HD2      HIS  11  10.396  -5.589  -2.874
   69    HE1  HIS  11           HE1      HIS  11  13.220  -2.470  -3.416
   70    HA   HYP  12           HA       HYP  12   6.798  -4.385  -5.662
   71    HB2  HYP  12           HB2      HYP  12   4.275  -5.152  -6.307
   72    HB3  HYP  12           HB3      HYP  12   5.635  -6.279  -6.247
   73    HG   HYP  12           HG       HYP  12   3.511  -5.765  -4.202
   74   HD22  HYP  12          HD2       HYP  12   4.951  -6.117  -2.439
   75   HD23  HYP  12          HD3       HYP  12   6.059  -7.102  -3.416
   76    HD1  HYP  12           HOD      HYP  12   5.007  -7.771  -4.538
   77    H    CYS  13           H        CYS  13   5.446  -2.904  -6.975
   78    HA   CYS  13           HA       CYS  13   4.436  -0.750  -5.300
   79    HB2  CYS  13           HB2      CYS  13   4.534  -0.593  -8.287
   80    HB3  CYS  13           HB3      CYS  13   4.805   0.672  -7.093
   81    H    CYS  14           H        CYS  14   2.345   0.278  -5.593
   82    HA   CYS  14           HA       CYS  14   0.317  -1.577  -6.411
   83    HB2  CYS  14           HB3      CYS  14   0.450   0.713  -4.734
   84    HB3  CYS  14           HB2      CYS  14  -0.989   0.403  -5.442
   85    HN1  NH2  15           1HN      NH2  15  -0.842  -0.114  -9.310
   86    HN2  NH2  15           2HN      NH2  15  -0.856  -1.459  -8.218
  Start of MODEL   16
    1    H1   CYS   1           H        CYS   1   0.230  -0.498  -0.324
    2    HA   CYS   1           HA       CYS   1   2.937  -0.661  -1.247
    3    HB2  CYS   1           HB2      CYS   1   2.007  -1.196  -3.384
    4    HB3  CYS   1           HB3      CYS   1   1.011  -1.997  -2.173
    5    H    CYS   2           H        CYS   2   3.960   0.691  -2.772
    6    HA   CYS   2           HA       CYS   2   2.912   3.445  -2.813
    7    HB2  CYS   2           HB2      CYS   2   5.814   2.781  -3.205
    8    HB3  CYS   2           HB3      CYS   2   5.087   4.286  -2.651
    9    H    ARG   3           H        ARG   3   3.135   4.668  -4.715
   10    HA   ARG   3           HA       ARG   3   3.188   3.041  -7.136
   11    HB2  ARG   3           HB2      ARG   3   2.085   5.705  -6.393
   12    HB3  ARG   3           HB3      ARG   3   2.531   5.448  -8.075
   13    HG2  ARG   3           HG2      ARG   3   0.319   4.840  -8.082
   14    HG3  ARG   3           HG3      ARG   3   1.110   3.281  -7.837
   15    HD2  ARG   3           HD2      ARG   3  -0.748   3.480  -6.315
   16    HD3  ARG   3           HD3      ARG   3   0.760   3.531  -5.403
   17    HE   ARG   3           HE       ARG   3  -0.226   6.132  -6.091
   18   HH11  ARG   3          HH11      ARG   3  -0.466   3.514  -3.809
   19   HH12  ARG   3          HH12      ARG   3  -1.033   4.519  -2.517
   20   HH21  ARG   3          HH21      ARG   3  -0.972   7.466  -4.397
   21   HH22  ARG   3          HH22      ARG   3  -1.322   6.766  -2.853
   22    H    LEU   4           H        LEU   4   4.446   6.261  -6.240
   23    HA   LEU   4           HA       LEU   4   6.583   5.945  -8.197
   24    HB2  LEU   4           HB2      LEU   4   5.376   8.211  -6.711
   25    HB3  LEU   4           HB3      LEU   4   7.067   8.358  -7.186
   26    HG   LEU   4           HG       LEU   4   5.571   9.432  -8.794
   27   HD11  LEU   4          HD11      LEU   4   6.401   7.204 -10.461
   28   HD12  LEU   4          HD12      LEU   4   7.660   7.719  -9.340
   29   HD13  LEU   4          HD13      LEU   4   6.945   8.882 -10.457
   30   HD21  LEU   4          HD21      LEU   4   4.095   8.031 -10.194
   31   HD22  LEU   4          HD22      LEU   4   3.589   8.084  -8.505
   32   HD23  LEU   4          HD23      LEU   4   4.425   6.662  -9.132
   33    H    ALA   5           H        ALA   5   6.120   6.297  -4.723
   34    HA   ALA   5           HA       ALA   5   8.936   6.358  -4.144
   35    HB1  ALA   5           HB1      ALA   5   6.527   6.852  -2.722
   36    HB2  ALA   5           HB2      ALA   5   7.453   5.638  -1.838
   37    HB3  ALA   5           HB3      ALA   5   8.187   7.192  -2.232
   38    H    CYS   6           H        CYS   6   7.060   3.957  -5.274
   39    HA   CYS   6           HA       CYS   6   7.483   1.758  -3.622
   40    HB2  CYS   6           HB2      CYS   6   6.689   0.487  -5.357
   41    HB3  CYS   6           HB3      CYS   6   6.162   2.074  -5.908
   42    H    GLY   7           H        GLY   7   9.703   3.512  -5.581
   43    HA2  GLY   7           HA2      GLY   7  11.644   1.396  -5.816
   44    HA3  GLY   7           HA3      GLY   7  11.885   3.086  -6.234
   45    H    LEU   8           H        LEU   8  10.761   3.538  -3.337
   46    HA   LEU   8           HA       LEU   8  13.406   3.585  -2.124
   47    HB2  LEU   8           HB2      LEU   8  10.776   4.864  -1.511
   48    HB3  LEU   8           HB3      LEU   8  12.020   4.771  -0.266
   49    HG   LEU   8           HG       LEU   8  13.232   5.828  -2.597
   50   HD11  LEU   8          HD11      LEU   8  11.836   7.932  -2.748
   51   HD12  LEU   8          HD12      LEU   8  10.552   7.024  -1.951
   52   HD13  LEU   8          HD13      LEU   8  11.166   6.492  -3.516
   53   HD21  LEU   8          HD21      LEU   8  13.791   7.622  -1.171
   54   HD22  LEU   8          HD22      LEU   8  13.724   6.193  -0.139
   55   HD23  LEU   8          HD23      LEU   8  12.386   7.343  -0.142
   56    H    GLY   9           H        GLY   9  12.971   1.057  -2.226
   57    HA2  GLY   9           HA2      GLY   9  12.857  -0.856  -0.960
   58    HA3  GLY   9           HA3      GLY   9  12.835   0.186   0.455
   59    H    CYS  10           H        CYS  10  10.418   0.381  -2.063
   60    HA   CYS  10           HA       CYS  10   8.484  -0.947  -0.287
   61    HB2  CYS  10           HB2      CYS  10   8.119   1.417  -0.010
   62    HB3  CYS  10           HB3      CYS  10   8.134   1.673  -1.752
   63    H    HIS  11           H        HIS  11   8.637  -2.814  -1.584
   64    HA   HIS  11           HA       HIS  11   7.136  -2.603  -4.095
   65    HB2  HIS  11           HB2      HIS  11   8.821  -4.600  -4.755
   66    HB3  HIS  11           HB3      HIS  11   9.119  -2.913  -5.163
   67    HD1  HIS  11           HD1      HIS  11  11.167  -1.836  -4.182
   68    HD2  HIS  11           HD2      HIS  11  10.321  -5.527  -2.472
   69    HE1  HIS  11           HE1      HIS  11  13.153  -2.379  -2.738
   70    HA   HYP  12           HA       HYP  12   7.121  -4.479  -5.764
   71    HB2  HYP  12           HB2      HYP  12   4.719  -5.311  -6.717
   72    HB3  HYP  12           HB3      HYP  12   6.074  -6.411  -6.435
   73    HG   HYP  12           HG       HYP  12   3.684  -5.868  -4.715
   74   HD22  HYP  12          HD2       HYP  12   4.876  -6.138  -2.762
   75   HD23  HYP  12          HD3       HYP  12   6.119  -7.134  -3.546
   76    HD1  HYP  12           HOD      HYP  12   5.239  -7.858  -4.776
   77    H    CYS  13           H        CYS  13   5.941  -3.065  -7.298
   78    HA   CYS  13           HA       CYS  13   4.684  -0.877  -5.851
   79    HB2  CYS  13           HB2      CYS  13   5.185  -0.815  -8.800
   80    HB3  CYS  13           HB3      CYS  13   5.274   0.493  -7.625
   81    H    CYS  14           H        CYS  14   2.639   0.104  -6.460
   82    HA   CYS  14           HA       CYS  14   0.766  -1.812  -7.479
   83    HB2  CYS  14           HB3      CYS  14   0.639   0.534  -5.880
   84    HB3  CYS  14           HB2      CYS  14  -0.685   0.175  -6.765
   85    HN1  NH2  15           1HN      NH2  15  -0.008  -0.465 -10.558
   86    HN2  NH2  15           2HN      NH2  15  -0.153  -1.773  -9.432
  Start of MODEL   17
    1    H1   CYS   1           H        CYS   1   0.520  -0.087   0.208
    2    HA   CYS   1           HA       CYS   1   3.187  -0.542  -0.869
    3    HB2  CYS   1           HB2      CYS   1   2.111  -1.020  -2.950
    4    HB3  CYS   1           HB3      CYS   1   1.169  -1.808  -1.689
    5    H    CYS   2           H        CYS   2   4.154   0.801  -2.438
    6    HA   CYS   2           HA       CYS   2   3.188   3.585  -2.379
    7    HB2  CYS   2           HB2      CYS   2   6.039   2.843  -2.959
    8    HB3  CYS   2           HB3      CYS   2   5.392   4.360  -2.341
    9    H    ARG   3           H        ARG   3   3.329   4.828  -4.276
   10    HA   ARG   3           HA       ARG   3   3.184   3.235  -6.715
   11    HB2  ARG   3           HB2      ARG   3   2.395   6.068  -6.051
   12    HB3  ARG   3           HB3      ARG   3   2.383   5.448  -7.696
   13    HG2  ARG   3           HG2      ARG   3   0.972   3.546  -6.281
   14    HG3  ARG   3           HG3      ARG   3   0.470   5.073  -5.552
   15    HD2  ARG   3           HD2      ARG   3  -0.370   5.897  -7.562
   16    HD3  ARG   3           HD3      ARG   3   0.561   4.753  -8.528
   17    HE   ARG   3           HE       ARG   3  -1.120   3.219  -8.273
   18   HH11  ARG   3          HH11      ARG   3  -1.552   5.789  -5.965
   19   HH12  ARG   3          HH12      ARG   3  -3.115   5.244  -5.454
   20   HH21  ARG   3          HH21      ARG   3  -3.177   2.491  -7.609
   21   HH22  ARG   3          HH22      ARG   3  -4.038   3.367  -6.389
   22    H    LEU   4           H        LEU   4   4.590   6.403  -5.859
   23    HA   LEU   4           HA       LEU   4   6.592   6.054  -7.950
   24    HB2  LEU   4           HB2      LEU   4   5.550   8.333  -6.360
   25    HB3  LEU   4           HB3      LEU   4   7.209   8.438  -6.944
   26    HG   LEU   4           HG       LEU   4   5.688   9.579  -8.452
   27   HD11  LEU   4          HD11      LEU   4   6.759   8.886 -10.305
   28   HD12  LEU   4          HD12      LEU   4   6.297   7.200 -10.072
   29   HD13  LEU   4          HD13      LEU   4   7.653   7.875  -9.169
   30   HD21  LEU   4          HD21      LEU   4   4.315   6.902  -8.624
   31   HD22  LEU   4          HD22      LEU   4   4.035   8.232  -9.749
   32   HD23  LEU   4          HD23      LEU   4   3.636   8.422  -8.041
   33    H    ALA   5           H        ALA   5   6.355   6.371  -4.449
   34    HA   ALA   5           HA       ALA   5   9.201   6.342  -4.046
   35    HB1  ALA   5           HB1      ALA   5   6.901   6.884  -2.470
   36    HB2  ALA   5           HB2      ALA   5   7.844   5.631  -1.661
   37    HB3  ALA   5           HB3      ALA   5   8.598   7.170  -2.080
   38    H    CYS   6           H        CYS   6   7.190   4.012  -5.086
   39    HA   CYS   6           HA       CYS   6   7.648   1.778  -3.491
   40    HB2  CYS   6           HB2      CYS   6   6.711   0.556  -5.189
   41    HB3  CYS   6           HB3      CYS   6   6.198   2.165  -5.686
   42    H    GLY   7           H        GLY   7   9.794   3.495  -5.563
   43    HA2  GLY   7           HA2      GLY   7  11.653   1.327  -5.944
   44    HA3  GLY   7           HA3      GLY   7  11.917   3.016  -6.355
   45    H    LEU   8           H        LEU   8  10.989   3.459  -3.389
   46    HA   LEU   8           HA       LEU   8  13.704   3.412  -2.341
   47    HB2  LEU   8           HB2      LEU   8  11.151   4.741  -1.518
   48    HB3  LEU   8           HB3      LEU   8  12.504   4.626  -0.394
   49    HG   LEU   8           HG       LEU   8  13.802   5.715  -2.441
   50   HD11  LEU   8          HD11      LEU   8  12.411   7.345  -3.592
   51   HD12  LEU   8          HD12      LEU   8  10.978   6.715  -2.781
   52   HD13  LEU   8          HD13      LEU   8  11.859   5.703  -3.926
   53   HD21  LEU   8          HD21      LEU   8  13.345   7.921  -1.410
   54   HD22  LEU   8          HD22      LEU   8  13.726   6.665  -0.232
   55   HD23  LEU   8          HD23      LEU   8  12.054   7.177  -0.467
   56    H    GLY   9           H        GLY   9  13.189   0.899  -2.447
   57    HA2  GLY   9           HA2      GLY   9  13.096  -1.027  -1.201
   58    HA3  GLY   9           HA3      GLY   9  13.192  -0.005   0.226
   59    H    CYS  10           H        CYS  10  10.632   0.295  -2.135
   60    HA   CYS  10           HA       CYS  10   8.772  -1.002  -0.259
   61    HB2  CYS  10           HB2      CYS  10   8.495   1.368   0.070
   62    HB3  CYS  10           HB3      CYS  10   8.410   1.648  -1.667
   63    H    HIS  11           H        HIS  11   8.789  -2.853  -1.586
   64    HA   HIS  11           HA       HIS  11   7.143  -2.563  -3.996
   65    HB2  HIS  11           HB2      HIS  11   8.724  -4.599  -4.784
   66    HB3  HIS  11           HB3      HIS  11   9.046  -2.915  -5.189
   67    HD1  HIS  11           HD1      HIS  11  11.181  -1.911  -4.320
   68    HD2  HIS  11           HD2      HIS  11  10.336  -5.603  -2.613
   69    HE1  HIS  11           HE1      HIS  11  13.236  -2.532  -3.010
   70    HA   HYP  12           HA       HYP  12   6.969  -4.415  -5.683
   71    HB2  HYP  12           HB2      HYP  12   4.489  -5.163  -6.496
   72    HB3  HYP  12           HB3      HYP  12   5.825  -6.306  -6.312
   73    HG   HYP  12           HG       HYP  12   3.564  -5.719  -4.441
   74   HD22  HYP  12          HD2       HYP  12   4.866  -6.050  -2.569
   75   HD23  HYP  12          HD3       HYP  12   6.028  -7.071  -3.440
   76    HD1  HYP  12           HOD      HYP  12   5.052  -7.752  -4.622
   77    H    CYS  13           H        CYS  13   5.740  -2.946  -7.124
   78    HA   CYS  13           HA       CYS  13   4.639  -0.743  -5.574
   79    HB2  CYS  13           HB2      CYS  13   4.959  -0.653  -8.548
   80    HB3  CYS  13           HB3      CYS  13   5.160   0.635  -7.365
   81    H    CYS  14           H        CYS  14   2.591   0.305  -6.043
   82    HA   CYS  14           HA       CYS  14   0.602  -1.541  -6.968
   83    HB2  CYS  14           HB3      CYS  14   0.645   0.784  -5.335
   84    HB3  CYS  14           HB2      CYS  14  -0.742   0.476  -6.140
   85    HN1  NH2  15           1HN      NH2  15  -0.320  -0.129  -9.975
   86    HN2  NH2  15           2HN      NH2  15  -0.433  -1.448  -8.859
  Start of MODEL   18
    1    H1   CYS   1           H        CYS   1   1.175   0.344   0.779
    2    HA   CYS   1           HA       CYS   1   3.300  -0.840  -0.704
    3    HB2  CYS   1           HB2      CYS   1   2.185  -1.326  -2.763
    4    HB3  CYS   1           HB3      CYS   1   1.310  -2.171  -1.489
    5    H    CYS   2           H        CYS   2   4.169   0.565  -2.276
    6    HA   CYS   2           HA       CYS   2   3.099   3.307  -2.143
    7    HB2  CYS   2           HB2      CYS   2   5.958   2.687  -2.815
    8    HB3  CYS   2           HB3      CYS   2   5.271   4.168  -2.153
    9    H    ARG   3           H        ARG   3   3.136   4.585  -4.021
   10    HA   ARG   3           HA       ARG   3   2.983   3.027  -6.483
   11    HB2  ARG   3           HB2      ARG   3   1.926   5.653  -5.564
   12    HB3  ARG   3           HB3      ARG   3   2.225   5.455  -7.286
   13    HG2  ARG   3           HG2      ARG   3   0.787   3.207  -6.139
   14    HG3  ARG   3           HG3      ARG   3  -0.062   4.742  -5.938
   15    HD2  ARG   3           HD2      ARG   3   1.007   3.658  -8.542
   16    HD3  ARG   3           HD3      ARG   3  -0.678   3.598  -8.026
   17    HE   ARG   3           HE       ARG   3   0.724   5.860  -9.103
   18   HH11  ARG   3          HH11      ARG   3  -1.934   4.835  -7.101
   19   HH12  ARG   3          HH12      ARG   3  -2.843   6.291  -7.338
   20   HH21  ARG   3          HH21      ARG   3  -0.464   7.780  -9.423
   21   HH22  ARG   3          HH22      ARG   3  -2.007   7.965  -8.660
   22    H    LEU   4           H        LEU   4   4.289   6.234  -5.612
   23    HA   LEU   4           HA       LEU   4   6.243   5.998  -7.763
   24    HB2  LEU   4           HB2      LEU   4   5.156   8.208  -6.109
   25    HB3  LEU   4           HB3      LEU   4   6.795   8.387  -6.731
   26    HG   LEU   4           HG       LEU   4   5.122   9.484  -8.155
   27   HD11  LEU   4          HD11      LEU   4   5.848   7.416 -10.021
   28   HD12  LEU   4          HD12      LEU   4   7.190   7.784  -8.938
   29   HD13  LEU   4          HD13      LEU   4   6.445   9.070  -9.887
   30   HD21  LEU   4          HD21      LEU   4   3.544   8.147  -9.445
   31   HD22  LEU   4          HD22      LEU   4   3.244   7.981  -7.715
   32   HD23  LEU   4          HD23      LEU   4   4.066   6.692  -8.595
   33    H    ALA   5           H        ALA   5   6.093   6.248  -4.252
   34    HA   ALA   5           HA       ALA   5   8.950   6.325  -3.929
   35    HB1  ALA   5           HB1      ALA   5   6.676   6.751  -2.281
   36    HB2  ALA   5           HB2      ALA   5   7.689   5.523  -1.520
   37    HB3  ALA   5           HB3      ALA   5   8.371   7.096  -1.933
   38    H    CYS   6           H        CYS   6   7.001   3.935  -4.953
   39    HA   CYS   6           HA       CYS   6   7.591   1.695  -3.411
   40    HB2  CYS   6           HB2      CYS   6   6.654   0.464  -5.102
   41    HB3  CYS   6           HB3      CYS   6   6.065   2.060  -5.557
   42    H    GLY   7           H        GLY   7   9.609   3.528  -5.511
   43    HA2  GLY   7           HA2      GLY   7  11.539   1.442  -5.981
   44    HA3  GLY   7           HA3      GLY   7  11.726   3.146  -6.370
   45    H    LEU   8           H        LEU   8  10.866   3.504  -3.372
   46    HA   LEU   8           HA       LEU   8  13.610   3.547  -2.402
   47    HB2  LEU   8           HB2      LEU   8  11.122   4.554  -1.037
   48    HB3  LEU   8           HB3      LEU   8  12.792   4.934  -0.624
   49    HG   LEU   8           HG       LEU   8  11.468   5.749  -3.207
   50   HD11  LEU   8          HD11      LEU   8  12.090   7.764  -1.149
   51   HD12  LEU   8          HD12      LEU   8  10.719   6.708  -0.808
   52   HD13  LEU   8          HD13      LEU   8  10.743   7.673  -2.284
   53   HD21  LEU   8          HD21      LEU   8  13.670   7.364  -2.342
   54   HD22  LEU   8          HD22      LEU   8  13.479   6.445  -3.835
   55   HD23  LEU   8          HD23      LEU   8  14.159   5.670  -2.403
   56    H    GLY   9           H        GLY   9  13.190   1.018  -2.537
   57    HA2  GLY   9           HA2      GLY   9  13.208  -0.931  -1.322
   58    HA3  GLY   9           HA3      GLY   9  13.305   0.071   0.119
   59    H    CYS  10           H        CYS  10  10.668   0.309  -2.164
   60    HA   CYS  10           HA       CYS  10   8.915  -1.091  -0.259
   61    HB2  CYS  10           HB2      CYS  10   8.555   1.261   0.118
   62    HB3  CYS  10           HB3      CYS  10   8.410   1.565  -1.610
   63    H    HIS  11           H        HIS  11   8.966  -2.918  -1.618
   64    HA   HIS  11           HA       HIS  11   7.241  -2.655  -3.975
   65    HB2  HIS  11           HB2      HIS  11   8.877  -4.613  -4.843
   66    HB3  HIS  11           HB3      HIS  11   9.122  -2.911  -5.227
   67    HD1  HIS  11           HD1      HIS  11  11.241  -1.839  -4.405
   68    HD2  HIS  11           HD2      HIS  11  10.587  -5.587  -2.734
   69    HE1  HIS  11           HE1      HIS  11  13.355  -2.400  -3.163
   70    HA   HYP  12           HA       HYP  12   7.091  -4.484  -5.689
   71    HB2  HYP  12           HB2      HYP  12   4.620  -5.316  -6.445
   72    HB3  HYP  12           HB3      HYP  12   6.005  -6.408  -6.319
   73    HG   HYP  12           HG       HYP  12   3.777  -5.941  -4.375
   74   HD22  HYP  12          HD2       HYP  12   5.144  -6.251  -2.546
   75   HD23  HYP  12          HD3       HYP  12   6.319  -7.211  -3.467
   76    HD1  HYP  12           HOD      HYP  12   5.337  -7.910  -4.633
   77    H    CYS  13           H        CYS  13   5.765  -3.041  -7.069
   78    HA   CYS  13           HA       CYS  13   4.624  -0.909  -5.451
   79    HB2  CYS  13           HB2      CYS  13   4.855  -0.758  -8.431
   80    HB3  CYS  13           HB3      CYS  13   5.039   0.518  -7.231
   81    H    CYS  14           H        CYS  14   2.524   0.065  -5.844
   82    HA   CYS  14           HA       CYS  14   0.583  -1.843  -6.744
   83    HB2  CYS  14           HB3      CYS  14   0.581   0.456  -5.075
   84    HB3  CYS  14           HB2      CYS  14  -0.815   0.107  -5.847
   85    HN1  NH2  15           1HN      NH2  15  -0.478  -0.422  -9.701
   86    HN2  NH2  15           2HN      NH2  15  -0.509  -1.762  -8.604
  Start of MODEL   19
    1    H1   CYS   1           H        CYS   1   1.030  -0.675   0.512
    2    HA   CYS   1           HA       CYS   1   3.136  -0.380  -0.888
    3    HB2  CYS   1           HB2      CYS   1   2.063  -0.876  -2.966
    4    HB3  CYS   1           HB3      CYS   1   1.094  -1.616  -1.695
    5    H    CYS   2           H        CYS   2   4.145   0.907  -2.478
    6    HA   CYS   2           HA       CYS   2   3.244   3.713  -2.483
    7    HB2  CYS   2           HB2      CYS   2   6.080   2.892  -3.029
    8    HB3  CYS   2           HB3      CYS   2   5.466   4.436  -2.447
    9    H    ARG   3           H        ARG   3   3.426   4.912  -4.405
   10    HA   ARG   3           HA       ARG   3   3.259   3.272  -6.811
   11    HB2  ARG   3           HB2      ARG   3   2.739   6.235  -6.544
   12    HB3  ARG   3           HB3      ARG   3   2.249   5.180  -7.863
   13    HG2  ARG   3           HG2      ARG   3   1.189   4.124  -5.452
   14    HG3  ARG   3           HG3      ARG   3   0.824   5.849  -5.513
   15    HD2  ARG   3           HD2      ARG   3  -0.380   5.651  -7.493
   16    HD3  ARG   3           HD3      ARG   3   0.371   4.110  -7.907
   17    HE   ARG   3           HE       ARG   3  -1.188   3.965  -5.514
   18   HH11  ARG   3          HH11      ARG   3  -1.339   3.903  -8.992
   19   HH12  ARG   3          HH12      ARG   3  -2.806   2.983  -9.042
   20   HH21  ARG   3          HH21      ARG   3  -3.120   2.754  -5.567
   21   HH22  ARG   3          HH22      ARG   3  -3.819   2.331  -7.093
   22    H    LEU   4           H        LEU   4   4.733   6.424  -6.012
   23    HA   LEU   4           HA       LEU   4   6.739   5.985  -8.081
   24    HB2  LEU   4           HB2      LEU   4   6.448   8.398  -6.311
   25    HB3  LEU   4           HB3      LEU   4   7.288   8.282  -7.856
   26    HG   LEU   4           HG       LEU   4   4.309   8.254  -7.395
   27   HD11  LEU   4          HD11      LEU   4   5.469  10.448  -7.289
   28   HD12  LEU   4          HD12      LEU   4   4.310  10.318  -8.611
   29   HD13  LEU   4          HD13      LEU   4   6.038  10.180  -8.936
   30   HD21  LEU   4          HD21      LEU   4   4.073   8.062  -9.801
   31   HD22  LEU   4          HD22      LEU   4   4.946   6.668  -9.162
   32   HD23  LEU   4          HD23      LEU   4   5.824   7.958  -9.987
   33    H    ALA   5           H        ALA   5   6.488   6.380  -4.589
   34    HA   ALA   5           HA       ALA   5   9.331   6.293  -4.167
   35    HB1  ALA   5           HB1      ALA   5   7.941   5.663  -1.777
   36    HB2  ALA   5           HB2      ALA   5   8.735   7.175  -2.222
   37    HB3  ALA   5           HB3      ALA   5   7.035   6.922  -2.617
   38    H    CYS   6           H        CYS   6   7.271   3.990  -5.172
   39    HA   CYS   6           HA       CYS   6   7.667   1.779  -3.528
   40    HB2  CYS   6           HB2      CYS   6   6.712   0.544  -5.207
   41    HB3  CYS   6           HB3      CYS   6   6.240   2.154  -5.740
   42    H    GLY   7           H        GLY   7   9.866   3.402  -5.620
   43    HA2  GLY   7           HA2      GLY   7  11.676   1.185  -5.944
   44    HA3  GLY   7           HA3      GLY   7  11.982   2.857  -6.388
   45    H    LEU   8           H        LEU   8  11.046   3.383  -3.438
   46    HA   LEU   8           HA       LEU   8  13.753   3.295  -2.372
   47    HB2  LEU   8           HB2      LEU   8  11.220   4.645  -1.481
   48    HB3  LEU   8           HB3      LEU   8  12.678   4.625  -0.492
   49    HG   LEU   8           HG       LEU   8  13.236   5.570  -3.169
   50   HD11  LEU   8          HD11      LEU   8  11.851   7.360  -3.409
   51   HD12  LEU   8          HD12      LEU   8  11.539   7.496  -1.679
   52   HD13  LEU   8          HD13      LEU   8  10.735   6.242  -2.623
   53   HD21  LEU   8          HD21      LEU   8  13.436   7.368  -0.848
   54   HD22  LEU   8          HD22      LEU   8  14.645   6.927  -2.055
   55   HD23  LEU   8          HD23      LEU   8  14.309   5.842  -0.705
   56    H    GLY   9           H        GLY   9  13.179   0.793  -2.429
   57    HA2  GLY   9           HA2      GLY   9  13.034  -1.105  -1.144
   58    HA3  GLY   9           HA3      GLY   9  13.145  -0.056   0.262
   59    H    CYS  10           H        CYS  10  10.607   0.255  -2.122
   60    HA   CYS  10           HA       CYS  10   8.706  -0.959  -0.232
   61    HB2  CYS  10           HB2      CYS  10   8.482   1.423   0.046
   62    HB3  CYS  10           HB3      CYS  10   8.415   1.669  -1.696
   63    H    HIS  11           H        HIS  11   8.687  -2.838  -1.521
   64    HA   HIS  11           HA       HIS  11   7.064  -2.559  -3.947
   65    HB2  HIS  11           HB2      HIS  11   8.602  -4.646  -4.683
   66    HB3  HIS  11           HB3      HIS  11   8.965  -2.980  -5.120
   67    HD1  HIS  11           HD1      HIS  11  11.118  -2.008  -4.260
   68    HD2  HIS  11           HD2      HIS  11  10.175  -5.642  -2.480
   69    HE1  HIS  11           HE1      HIS  11  13.150  -2.650  -2.923
   70    HA   HYP  12           HA       HYP  12   6.857  -4.440  -5.597
   71    HB2  HYP  12           HB2      HYP  12   4.365  -5.147  -6.411
   72    HB3  HYP  12           HB3      HYP  12   5.673  -6.317  -6.195
   73    HG   HYP  12           HG       HYP  12   3.414  -5.639  -4.351
   74   HD22  HYP  12          HD2       HYP  12   4.697  -5.961  -2.464
   75   HD23  HYP  12          HD3       HYP  12   5.840  -7.027  -3.306
   76    HD1  HYP  12           HOD      HYP  12   4.855  -7.709  -4.481
   77    H    CYS  13           H        CYS  13   5.671  -2.973  -7.076
   78    HA   CYS  13           HA       CYS  13   4.613  -0.713  -5.579
   79    HB2  CYS  13           HB2      CYS  13   4.953  -0.692  -8.552
   80    HB3  CYS  13           HB3      CYS  13   5.177   0.615  -7.393
   81    H    CYS  14           H        CYS  14   2.593   0.372  -6.082
   82    HA   CYS  14           HA       CYS  14   0.567  -1.446  -6.982
   83    HB2  CYS  14           HB3      CYS  14   0.654   0.911  -5.398
   84    HB3  CYS  14           HB2      CYS  14  -0.735   0.619  -6.206
   85    HN1  NH2  15           1HN      NH2  15  -0.303  -0.076 -10.024
   86    HN2  NH2  15           2HN      NH2  15  -0.455  -1.369  -8.881
  Start of MODEL   20
    1    H1   CYS   1           H        CYS   1   2.004  -0.471   1.067
    2    HA   CYS   1           HA       CYS   1   3.215  -0.742  -0.853
    3    HB2  CYS   1           HB2      CYS   1   2.155  -1.279  -2.929
    4    HB3  CYS   1           HB3      CYS   1   1.234  -2.075  -1.657
    5    H    CYS   2           H        CYS   2   4.147   0.604  -2.441
    6    HA   CYS   2           HA       CYS   2   3.105   3.361  -2.423
    7    HB2  CYS   2           HB2      CYS   2   5.976   2.689  -2.990
    8    HB3  CYS   2           HB3      CYS   2   5.288   4.196  -2.394
    9    H    ARG   3           H        ARG   3   3.214   4.579  -4.337
   10    HA   ARG   3           HA       ARG   3   3.116   2.948  -6.753
   11    HB2  ARG   3           HB2      ARG   3   2.247   5.767  -6.129
   12    HB3  ARG   3           HB3      ARG   3   2.256   5.126  -7.766
   13    HG2  ARG   3           HG2      ARG   3   0.905   3.234  -6.195
   14    HG3  ARG   3           HG3      ARG   3   0.294   4.818  -5.709
   15    HD2  ARG   3           HD2      ARG   3   0.521   3.933  -8.578
   16    HD3  ARG   3           HD3      ARG   3  -0.935   3.711  -7.608
   17    HE   ARG   3           HE       ARG   3  -0.057   6.121  -8.843
   18   HH11  ARG   3          HH11      ARG   3  -1.723   4.861  -6.057
   19   HH12  ARG   3          HH12      ARG   3  -2.653   6.300  -5.800
   20   HH21  ARG   3          HH21      ARG   3  -1.276   8.021  -8.515
   21   HH22  ARG   3          HH22      ARG   3  -2.398   8.097  -7.199
   22    H    LEU   4           H        LEU   4   4.433   6.167  -5.942
   23    HA   LEU   4           HA       LEU   4   6.446   5.843  -8.025
   24    HB2  LEU   4           HB2      LEU   4   5.961   8.217  -6.237
   25    HB3  LEU   4           HB3      LEU   4   6.918   8.176  -7.717
   26    HG   LEU   4           HG       LEU   4   3.919   7.964  -7.479
   27   HD11  LEU   4          HD11      LEU   4   4.935  10.221  -7.260
   28   HD12  LEU   4          HD12      LEU   4   3.887  10.045  -8.667
   29   HD13  LEU   4          HD13      LEU   4   5.639  10.014  -8.864
   30   HD21  LEU   4          HD21      LEU   4   3.873   7.798  -9.897
   31   HD22  LEU   4          HD22      LEU   4   4.778   6.448  -9.212
   32   HD23  LEU   4          HD23      LEU   4   5.636   7.800  -9.954
   33    H    ALA   5           H        ALA   5   6.196   6.202  -4.530
   34    HA   ALA   5           HA       ALA   5   9.042   6.258  -4.124
   35    HB1  ALA   5           HB1      ALA   5   7.701   5.543  -1.731
   36    HB2  ALA   5           HB2      ALA   5   8.414   7.096  -2.170
   37    HB3  ALA   5           HB3      ALA   5   6.727   6.759  -2.557
   38    H    CYS   6           H        CYS   6   7.097   3.859  -5.133
   39    HA   CYS   6           HA       CYS   6   7.614   1.661  -3.506
   40    HB2  CYS   6           HB2      CYS   6   6.713   0.389  -5.187
   41    HB3  CYS   6           HB3      CYS   6   6.157   1.977  -5.707
   42    H    GLY   7           H        GLY   7   9.715   3.407  -5.600
   43    HA2  GLY   7           HA2      GLY   7  11.633   1.286  -5.949
   44    HA3  GLY   7           HA3      GLY   7  11.851   2.975  -6.383
   45    H    LEU   8           H        LEU   8  10.908   3.434  -3.425
   46    HA   LEU   8           HA       LEU   8  13.622   3.477  -2.374
   47    HB2  LEU   8           HB2      LEU   8  11.035   4.759  -1.596
   48    HB3  LEU   8           HB3      LEU   8  12.362   4.674  -0.440
   49    HG   LEU   8           HG       LEU   8  13.595   5.735  -2.635
   50   HD11  LEU   8          HD11      LEU   8  10.946   5.929  -3.299
   51   HD12  LEU   8          HD12      LEU   8  12.240   6.944  -3.934
   52   HD13  LEU   8          HD13      LEU   8  11.274   7.500  -2.567
   53   HD21  LEU   8          HD21      LEU   8  12.967   7.967  -1.321
   54   HD22  LEU   8          HD22      LEU   8  14.122   6.789  -0.695
   55   HD23  LEU   8          HD23      LEU   8  12.457   6.788  -0.112
   56    H    GLY   9           H        GLY   9  13.176   0.950  -2.445
   57    HA2  GLY   9           HA2      GLY   9  13.135  -0.961  -1.172
   58    HA3  GLY   9           HA3      GLY   9  13.201   0.083   0.240
   59    H    CYS  10           H        CYS  10  10.636   0.280  -2.126
   60    HA   CYS  10           HA       CYS  10   8.811  -1.041  -0.233
   61    HB2  CYS  10           HB2      CYS  10   8.468   1.325   0.061
   62    HB3  CYS  10           HB3      CYS  10   8.378   1.578  -1.679
   63    H    HIS  11           H        HIS  11   8.880  -2.910  -1.534
   64    HA   HIS  11           HA       HIS  11   7.230  -2.699  -3.949
   65    HB2  HIS  11           HB2      HIS  11   8.867  -4.701  -4.708
   66    HB3  HIS  11           HB3      HIS  11   9.143  -3.015  -5.136
   67    HD1  HIS  11           HD1      HIS  11  11.249  -1.941  -4.282
   68    HD2  HIS  11           HD2      HIS  11  10.502  -5.629  -2.520
   69    HE1  HIS  11           HE1      HIS  11  13.319  -2.487  -2.961
   70    HA   HYP  12           HA       HYP  12   7.109  -4.578  -5.611
   71    HB2  HYP  12           HB2      HYP  12   4.651  -5.406  -6.415
   72    HB3  HYP  12           HB3      HYP  12   6.018  -6.509  -6.214
   73    HG   HYP  12           HG       HYP  12   3.739  -5.958  -4.352
   74   HD22  HYP  12          HD2       HYP  12   5.048  -6.227  -2.475
   75   HD23  HYP  12          HD3       HYP  12   6.239  -7.228  -3.331
   76    HD1  HYP  12           HOD      HYP  12   5.283  -7.952  -4.505
   77    H    CYS  13           H        CYS  13   5.840  -3.164  -7.073
   78    HA   CYS  13           HA       CYS  13   4.678  -0.971  -5.555
   79    HB2  CYS  13           HB2      CYS  13   4.999  -0.914  -8.530
   80    HB3  CYS  13           HB3      CYS  13   5.163   0.396  -7.364
   81    H    CYS  14           H        CYS  14   2.602   0.014  -6.039
   82    HA   CYS  14           HA       CYS  14   0.666  -1.899  -6.939
   83    HB2  CYS  14           HB3      CYS  14   0.643   0.449  -5.341
   84    HB3  CYS  14           HB2      CYS  14  -0.734   0.092  -6.143
   85    HN1  NH2  15           1HN      NH2  15  -0.291  -0.557  -9.968
   86    HN2  NH2  15           2HN      NH2  15  -0.369  -1.863  -8.832
  Start of MODEL   21
    1    H1   CYS   1           H        CYS   1   1.769   0.493   1.138
    2    HA   CYS   1           HA       CYS   1   3.327  -0.709  -0.631
    3    HB2  CYS   1           HB2      CYS   1   2.171  -1.195  -2.667
    4    HB3  CYS   1           HB3      CYS   1   1.296  -2.005  -1.371
    5    H    CYS   2           H        CYS   2   4.204   0.657  -2.233
    6    HA   CYS   2           HA       CYS   2   3.197   3.424  -2.118
    7    HB2  CYS   2           HB2      CYS   2   6.032   2.731  -2.823
    8    HB3  CYS   2           HB3      CYS   2   5.388   4.235  -2.170
    9    H    ARG   3           H        ARG   3   3.236   4.677  -4.013
   10    HA   ARG   3           HA       ARG   3   3.012   3.093  -6.452
   11    HB2  ARG   3           HB2      ARG   3   2.152   5.865  -5.671
   12    HB3  ARG   3           HB3      ARG   3   2.190   5.373  -7.359
   13    HG2  ARG   3           HG2      ARG   3   0.818   3.453  -5.664
   14    HG3  ARG   3           HG3      ARG   3   0.086   5.058  -5.621
   15    HD2  ARG   3           HD2      ARG   3   0.811   3.708  -8.204
   16    HD3  ARG   3           HD3      ARG   3  -0.735   3.421  -7.408
   17    HE   ARG   3           HE       ARG   3  -0.153   6.205  -7.777
   18   HH11  ARG   3          HH11      ARG   3  -1.450   3.344  -9.278
   19   HH12  ARG   3          HH12      ARG   3  -2.439   4.222 -10.398
   20   HH21  ARG   3          HH21      ARG   3  -1.450   7.372  -9.246
   21   HH22  ARG   3          HH22      ARG   3  -2.438   6.513 -10.379
   22    H    LEU   4           H        LEU   4   4.402   6.281  -5.640
   23    HA   LEU   4           HA       LEU   4   6.318   5.974  -7.816
   24    HB2  LEU   4           HB2      LEU   4   5.880   8.312  -5.965
   25    HB3  LEU   4           HB3      LEU   4   6.857   8.303  -7.432
   26    HG   LEU   4           HG       LEU   4   3.855   8.104  -7.241
   27   HD11  LEU   4          HD11      LEU   4   4.880  10.348  -6.951
   28   HD12  LEU   4          HD12      LEU   4   3.851  10.214  -8.376
   29   HD13  LEU   4          HD13      LEU   4   5.605  10.178  -8.549
   30   HD21  LEU   4          HD21      LEU   4   3.841   8.000  -9.664
   31   HD22  LEU   4          HD22      LEU   4   4.730   6.627  -9.001
   32   HD23  LEU   4          HD23      LEU   4   5.605   7.993  -9.696
   33    H    ALA   5           H        ALA   5   6.226   6.270  -4.306
   34    HA   ALA   5           HA       ALA   5   9.087   6.287  -4.026
   35    HB1  ALA   5           HB1      ALA   5   7.844   5.542  -1.589
   36    HB2  ALA   5           HB2      ALA   5   8.556   7.094  -2.031
   37    HB3  ALA   5           HB3      ALA   5   6.849   6.784  -2.349
   38    H    CYS   6           H        CYS   6   7.071   3.929  -4.992
   39    HA   CYS   6           HA       CYS   6   7.633   1.696  -3.430
   40    HB2  CYS   6           HB2      CYS   6   6.644   0.466  -5.092
   41    HB3  CYS   6           HB3      CYS   6   6.085   2.069  -5.558
   42    H    GLY   7           H        GLY   7   9.661   3.457  -5.582
   43    HA2  GLY   7           HA2      GLY   7  11.536   1.322  -6.054
   44    HA3  GLY   7           HA3      GLY   7  11.755   3.017  -6.467
   45    H    LEU   8           H        LEU   8  10.948   3.430  -3.461
   46    HA   LEU   8           HA       LEU   8  13.706   3.424  -2.531
   47    HB2  LEU   8           HB2      LEU   8  11.185   4.598  -1.374
   48    HB3  LEU   8           HB3      LEU   8  12.770   4.718  -0.615
   49    HG   LEU   8           HG       LEU   8  12.210   5.796  -3.368
   50   HD11  LEU   8          HD11      LEU   8  10.685   6.973  -2.004
   51   HD12  LEU   8          HD12      LEU   8  12.090   8.022  -2.181
   52   HD13  LEU   8          HD13      LEU   8  11.852   7.114  -0.689
   53   HD21  LEU   8          HD21      LEU   8  14.345   6.412  -3.355
   54   HD22  LEU   8          HD22      LEU   8  14.555   5.420  -1.911
   55   HD23  LEU   8          HD23      LEU   8  14.190   7.139  -1.755
   56    H    GLY   9           H        GLY   9  13.228   0.903  -2.629
   57    HA2  GLY   9           HA2      GLY   9  13.220  -1.031  -1.390
   58    HA3  GLY   9           HA3      GLY   9  13.361  -0.015   0.037
   59    H    CYS  10           H        CYS  10  10.696   0.255  -2.211
   60    HA   CYS  10           HA       CYS  10   8.941  -1.081  -0.264
   61    HB2  CYS  10           HB2      CYS  10   8.639   1.282   0.089
   62    HB3  CYS  10           HB3      CYS  10   8.476   1.569  -1.640
   63    H    HIS  11           H        HIS  11   8.930  -2.926  -1.601
   64    HA   HIS  11           HA       HIS  11   7.178  -2.651  -3.936
   65    HB2  HIS  11           HB2      HIS  11   8.757  -4.656  -4.803
   66    HB3  HIS  11           HB3      HIS  11   9.034  -2.966  -5.211
   67    HD1  HIS  11           HD1      HIS  11  11.188  -1.931  -4.431
   68    HD2  HIS  11           HD2      HIS  11  10.475  -5.644  -2.707
   69    HE1  HIS  11           HE1      HIS  11  13.306  -2.525  -3.213
   70    HA   HYP  12           HA       HYP  12   6.962  -4.497  -5.625
   71    HB2  HYP  12           HB2      HYP  12   4.462  -5.282  -6.334
   72    HB3  HYP  12           HB3      HYP  12   5.823  -6.404  -6.214
   73    HG   HYP  12           HG       HYP  12   3.635  -5.863  -4.244
   74   HD22  HYP  12          HD2       HYP  12   5.022  -6.182  -2.432
   75   HD23  HYP  12          HD3       HYP  12   6.161  -7.179  -3.358
   76    HD1  HYP  12           HOD      HYP  12   5.147  -7.870  -4.501
   77    H    CYS  13           H        CYS  13   5.648  -3.042  -7.003
   78    HA   CYS  13           HA       CYS  13   4.579  -0.865  -5.395
   79    HB2  CYS  13           HB2      CYS  13   4.769  -0.755  -8.380
   80    HB3  CYS  13           HB3      CYS  13   5.000   0.530  -7.199
   81    H    CYS  14           H        CYS  14   2.496   0.152  -5.769
   82    HA   CYS  14           HA       CYS  14   0.499  -1.723  -6.618
   83    HB2  CYS  14           HB3      CYS  14   0.574   0.596  -4.977
   84    HB3  CYS  14           HB2      CYS  14  -0.841   0.269  -5.724
   85    HN1  NH2  15           1HN      NH2  15  -0.573  -0.313  -9.576
   86    HN2  NH2  15           2HN      NH2  15  -0.618  -1.639  -8.463
  Start of MODEL   22
    1    H1   CYS   1           H        CYS   1   1.772  -0.688   1.005
    2    HA   CYS   1           HA       CYS   1   3.227  -0.511  -0.780
    3    HB2  CYS   1           HB2      CYS   1   2.126  -1.013  -2.842
    4    HB3  CYS   1           HB3      CYS   1   1.191  -1.774  -1.559
    5    H    CYS   2           H        CYS   2   4.187   0.800  -2.379
    6    HA   CYS   2           HA       CYS   2   3.243   3.591  -2.354
    7    HB2  CYS   2           HB2      CYS   2   6.082   2.819  -2.952
    8    HB3  CYS   2           HB3      CYS   2   5.454   4.350  -2.352
    9    H    ARG   3           H        ARG   3   3.373   4.803  -4.272
   10    HA   ARG   3           HA       ARG   3   3.191   3.174  -6.684
   11    HB2  ARG   3           HB2      ARG   3   2.254   5.886  -5.881
   12    HB3  ARG   3           HB3      ARG   3   2.551   5.592  -7.589
   13    HG2  ARG   3           HG2      ARG   3   1.067   3.397  -6.723
   14    HG3  ARG   3           HG3      ARG   3   0.324   4.800  -5.952
   15    HD2  ARG   3           HD2      ARG   3   0.086   5.895  -8.096
   16    HD3  ARG   3           HD3      ARG   3   0.935   4.573  -8.896
   17    HE   ARG   3           HE       ARG   3  -1.014   3.384  -8.901
   18   HH11  ARG   3          HH11      ARG   3  -1.272   5.956  -6.569
   19   HH12  ARG   3          HH12      ARG   3  -2.949   5.667  -6.242
   20   HH21  ARG   3          HH21      ARG   3  -3.221   2.993  -8.479
   21   HH22  ARG   3          HH22      ARG   3  -4.056   3.981  -7.328
   22    H    LEU   4           H        LEU   4   4.629   6.345  -5.893
   23    HA   LEU   4           HA       LEU   4   6.607   5.948  -7.998
   24    HB2  LEU   4           HB2      LEU   4   6.280   8.344  -6.209
   25    HB3  LEU   4           HB3      LEU   4   7.137   8.255  -7.747
   26    HG   LEU   4           HG       LEU   4   4.154   8.169  -7.314
   27   HD11  LEU   4          HD11      LEU   4   5.273  10.383  -7.182
   28   HD12  LEU   4          HD12      LEU   4   4.129  10.241  -8.517
   29   HD13  LEU   4          HD13      LEU   4   5.862  10.137  -8.826
   30   HD21  LEU   4          HD21      LEU   4   5.699   7.918  -9.893
   31   HD22  LEU   4          HD22      LEU   4   3.945   7.991  -9.724
   32   HD23  LEU   4          HD23      LEU   4   4.836   6.608  -9.086
   33    H    ALA   5           H        ALA   5   6.408   6.320  -4.500
   34    HA   ALA   5           HA       ALA   5   9.259   6.276  -4.126
   35    HB1  ALA   5           HB1      ALA   5   7.920   5.612  -1.717
   36    HB2  ALA   5           HB2      ALA   5   8.682   7.139  -2.167
   37    HB3  ALA   5           HB3      ALA   5   6.980   6.860  -2.535
   38    H    CYS   6           H        CYS   6   7.219   3.946  -5.109
   39    HA   CYS   6           HA       CYS   6   7.677   1.734  -3.484
   40    HB2  CYS   6           HB2      CYS   6   6.714   0.492  -5.153
   41    HB3  CYS   6           HB3      CYS   6   6.208   2.097  -5.670
   42    H    GLY   7           H        GLY   7   9.815   3.402  -5.604
   43    HA2  GLY   7           HA2      GLY   7  11.653   1.215  -5.971
   44    HA3  GLY   7           HA3      GLY   7  11.926   2.894  -6.410
   45    H    LEU   8           H        LEU   8  11.032   3.390  -3.442
   46    HA   LEU   8           HA       LEU   8  13.757   3.339  -2.422
   47    HB2  LEU   8           HB2      LEU   8  11.220   4.684  -1.563
   48    HB3  LEU   8           HB3      LEU   8  12.617   4.606  -0.490
   49    HG   LEU   8           HG       LEU   8  13.836   5.657  -2.591
   50   HD11  LEU   8          HD11      LEU   8  12.566   6.797  -4.082
   51   HD12  LEU   8          HD12      LEU   8  11.263   7.080  -2.929
   52   HD13  LEU   8          HD13      LEU   8  11.423   5.507  -3.708
   53   HD21  LEU   8          HD21      LEU   8  14.088   7.095  -0.906
   54   HD22  LEU   8          HD22      LEU   8  12.498   6.722  -0.239
   55   HD23  LEU   8          HD23      LEU   8  12.656   7.912  -1.532
   56    H    GLY   9           H        GLY   9  13.222   0.829  -2.484
   57    HA2  GLY   9           HA2      GLY   9  13.129  -1.077  -1.207
   58    HA3  GLY   9           HA3      GLY   9  13.247  -0.035   0.203
   59    H    CYS  10           H        CYS  10  10.664   0.249  -2.136
   60    HA   CYS  10           HA       CYS  10   8.815  -1.005  -0.221
   61    HB2  CYS  10           HB2      CYS  10   8.558   1.372   0.074
   62    HB3  CYS  10           HB3      CYS  10   8.458   1.626  -1.666
   63    H    HIS  11           H        HIS  11   8.804  -2.877  -1.519
   64    HA   HIS  11           HA       HIS  11   7.135  -2.611  -3.916
   65    HB2  HIS  11           HB2      HIS  11   8.693  -4.670  -4.690
   66    HB3  HIS  11           HB3      HIS  11   9.023  -2.996  -5.123
   67    HD1  HIS  11           HD1      HIS  11  11.175  -1.995  -4.295
   68    HD2  HIS  11           HD2      HIS  11  10.319  -5.652  -2.518
   69    HE1  HIS  11           HE1      HIS  11  13.238  -2.611  -2.996
   70    HA   HYP  12           HA       HYP  12   6.930  -4.487  -5.573
   71    HB2  HYP  12           HB2      HYP  12   4.436  -5.229  -6.349
   72    HB3  HYP  12           HB3      HYP  12   5.766  -6.379  -6.161
   73    HG   HYP  12           HG       HYP  12   3.528  -5.746  -4.275
   74   HD22  HYP  12          HD2       HYP  12   4.848  -6.058  -2.412
   75   HD23  HYP  12          HD3       HYP  12   5.993  -7.101  -3.280
   76    HD1  HYP  12           HOD      HYP  12   4.999  -7.793  -4.441
   77    H    CYS  13           H        CYS  13   5.696  -3.031  -7.023
   78    HA   CYS  13           HA       CYS  13   4.628  -0.796  -5.497
   79    HB2  CYS  13           HB2      CYS  13   4.918  -0.755  -8.475
   80    HB3  CYS  13           HB3      CYS  13   5.140   0.550  -7.313
   81    H    CYS  14           H        CYS  14   2.583   0.260  -5.960
   82    HA   CYS  14           HA       CYS  14   0.571  -1.585  -6.835
   83    HB2  CYS  14           HB3      CYS  14   0.648   0.765  -5.240
   84    HB3  CYS  14           HB2      CYS  14  -0.750   0.455  -6.027
   85    HN1  NH2  15           1HN      NH2  15  -0.371  -0.214  -9.855
   86    HN2  NH2  15           2HN      NH2  15  -0.483  -1.515  -8.717
  Start of MODEL   23
    1    H1   CYS   1           H        CYS   1   0.255   0.044  -0.282
    2    HA   CYS   1           HA       CYS   1   2.980  -0.550  -1.189
    3    HB2  CYS   1           HB2      CYS   1   2.035  -1.102  -3.314
    4    HB3  CYS   1           HB3      CYS   1   1.028  -1.864  -2.088
    5    H    CYS   2           H        CYS   2   4.024   0.758  -2.737
    6    HA   CYS   2           HA       CYS   2   3.028   3.530  -2.819
    7    HB2  CYS   2           HB2      CYS   2   5.915   2.807  -3.208
    8    HB3  CYS   2           HB3      CYS   2   5.218   4.333  -2.675
    9    H    ARG   3           H        ARG   3   3.267   4.718  -4.741
   10    HA   ARG   3           HA       ARG   3   3.284   3.053  -7.136
   11    HB2  ARG   3           HB2      ARG   3   2.230   5.746  -6.431
   12    HB3  ARG   3           HB3      ARG   3   2.669   5.458  -8.109
   13    HG2  ARG   3           HG2      ARG   3   0.435   4.905  -8.082
   14    HG3  ARG   3           HG3      ARG   3   1.209   3.333  -7.869
   15    HD2  ARG   3           HD2      ARG   3  -0.176   3.122  -6.119
   16    HD3  ARG   3           HD3      ARG   3   0.970   4.176  -5.293
   17    HE   ARG   3           HE       ARG   3  -0.744   5.900  -6.508
   18   HH11  ARG   3          HH11      ARG   3  -1.136   3.204  -4.340
   19   HH12  ARG   3          HH12      ARG   3  -2.568   3.840  -3.599
   20   HH21  ARG   3          HH21      ARG   3  -2.628   6.748  -5.540
   21   HH22  ARG   3          HH22      ARG   3  -3.416   5.855  -4.283
   22    H    LEU   4           H        LEU   4   4.603   6.262  -6.294
   23    HA   LEU   4           HA       LEU   4   6.729   5.877  -8.251
   24    HB2  LEU   4           HB2      LEU   4   6.134   8.279  -6.533
   25    HB3  LEU   4           HB3      LEU   4   7.235   8.214  -7.907
   26    HG   LEU   4           HG       LEU   4   4.226   8.035  -7.973
   27   HD11  LEU   4          HD11      LEU   4   5.240  10.284  -7.674
   28   HD12  LEU   4          HD12      LEU   4   4.337  10.103  -9.178
   29   HD13  LEU   4          HD13      LEU   4   6.100  10.052  -9.197
   30   HD21  LEU   4          HD21      LEU   4   6.183   7.826 -10.259
   31   HD22  LEU   4          HD22      LEU   4   4.424   7.844 -10.383
   32   HD23  LEU   4          HD23      LEU   4   5.239   6.492  -9.596
   33    H    ALA   5           H        ALA   5   6.281   6.293  -4.781
   34    HA   ALA   5           HA       ALA   5   9.099   6.311  -4.211
   35    HB1  ALA   5           HB1      ALA   5   7.610   5.653  -1.890
   36    HB2  ALA   5           HB2      ALA   5   8.372   7.188  -2.309
   37    HB3  ALA   5           HB3      ALA   5   6.705   6.871  -2.790
   38    H    CYS   6           H        CYS   6   7.178   3.927  -5.298
   39    HA   CYS   6           HA       CYS   6   7.564   1.747  -3.612
   40    HB2  CYS   6           HB2      CYS   6   6.743   0.464  -5.325
   41    HB3  CYS   6           HB3      CYS   6   6.243   2.051  -5.899
   42    H    GLY   7           H        GLY   7   9.811   3.429  -5.604
   43    HA2  GLY   7           HA2      GLY   7  11.712   1.274  -5.810
   44    HA3  GLY   7           HA3      GLY   7  11.983   2.953  -6.255
   45    H    LEU   8           H        LEU   8  10.875   3.471  -3.363
   46    HA   LEU   8           HA       LEU   8  13.524   3.488  -2.157
   47    HB2  LEU   8           HB2      LEU   8  10.907   4.786  -1.480
   48    HB3  LEU   8           HB3      LEU   8  12.243   4.764  -0.331
   49    HG   LEU   8           HG       LEU   8  12.551   5.897  -3.097
   50   HD11  LEU   8          HD11      LEU   8  11.672   7.899  -2.525
   51   HD12  LEU   8          HD12      LEU   8  12.102   7.729  -0.823
   52   HD13  LEU   8          HD13      LEU   8  10.684   6.896  -1.462
   53   HD21  LEU   8          HD21      LEU   8  14.419   7.053  -2.140
   54   HD22  LEU   8          HD22      LEU   8  14.562   5.341  -1.740
   55   HD23  LEU   8          HD23      LEU   8  14.001   6.488  -0.522
   56    H    GLY   9           H        GLY   9  13.043   0.967  -2.218
   57    HA2  GLY   9           HA2      GLY   9  12.897  -0.923  -0.922
   58    HA3  GLY   9           HA3      GLY   9  12.898   0.141   0.476
   59    H    CYS  10           H        CYS  10  10.478   0.341  -2.039
   60    HA   CYS  10           HA       CYS  10   8.525  -0.924  -0.238
   61    HB2  CYS  10           HB2      CYS  10   8.203   1.451   0.003
   62    HB3  CYS  10           HB3      CYS  10   8.219   1.679  -1.743
   63    H    HIS  11           H        HIS  11   8.640  -2.813  -1.506
   64    HA   HIS  11           HA       HIS  11   7.136  -2.614  -4.016
   65    HB2  HIS  11           HB2      HIS  11   8.783  -4.651  -4.649
   66    HB3  HIS  11           HB3      HIS  11   9.110  -2.976  -5.084
   67    HD1  HIS  11           HD1      HIS  11  11.180  -1.922  -4.124
   68    HD2  HIS  11           HD2      HIS  11  10.273  -5.571  -2.357
   69    HE1  HIS  11           HE1      HIS  11  13.160  -2.479  -2.677
   70    HA   HYP  12           HA       HYP  12   7.082  -4.515  -5.655
   71    HB2  HYP  12           HB2      HYP  12   4.663  -5.318  -6.590
   72    HB3  HYP  12           HB3      HYP  12   5.998  -6.438  -6.294
   73    HG   HYP  12           HG       HYP  12   3.624  -5.825  -4.577
   74   HD22  HYP  12          HD2       HYP  12   4.816  -6.085  -2.622
   75   HD23  HYP  12          HD3       HYP  12   6.039  -7.117  -3.393
   76    HD1  HYP  12           HOD      HYP  12   5.142  -7.844  -4.610
   77    H    CYS  13           H        CYS  13   5.924  -3.104  -7.209
   78    HA   CYS  13           HA       CYS  13   4.711  -0.871  -5.792
   79    HB2  CYS  13           HB2      CYS  13   5.205  -0.863  -8.744
   80    HB3  CYS  13           HB3      CYS  13   5.322   0.461  -7.589
   81    H    CYS  14           H        CYS  14   2.683   0.137  -6.411
   82    HA   CYS  14           HA       CYS  14   0.772  -1.759  -7.396
   83    HB2  CYS  14           HB3      CYS  14   0.693   0.613  -5.835
   84    HB3  CYS  14           HB2      CYS  14  -0.640   0.265  -6.711
   85    HN1  NH2  15           1HN      NH2  15   0.015  -0.448 -10.494
   86    HN2  NH2  15           2HN      NH2  15  -0.150  -1.736  -9.347
  Start of MODEL   24
    1    H1   CYS   1           H        CYS   1   0.632  -0.348   0.338
    2    HA   CYS   1           HA       CYS   1   3.263  -0.588  -0.785
    3    HB2  CYS   1           HB2      CYS   1   2.163  -1.091  -2.848
    4    HB3  CYS   1           HB3      CYS   1   1.243  -1.875  -1.567
    5    H    CYS   2           H        CYS   2   4.200   0.747  -2.378
    6    HA   CYS   2           HA       CYS   2   3.216   3.525  -2.331
    7    HB2  CYS   2           HB2      CYS   2   6.063   2.797  -2.943
    8    HB3  CYS   2           HB3      CYS   2   5.415   4.315  -2.330
    9    H    ARG   3           H        ARG   3   3.322   4.751  -4.241
   10    HA   ARG   3           HA       ARG   3   3.155   3.136  -6.664
   11    HB2  ARG   3           HB2      ARG   3   2.383   5.989  -6.049
   12    HB3  ARG   3           HB3      ARG   3   2.297   5.298  -7.664
   13    HG2  ARG   3           HG2      ARG   3   0.938   3.460  -6.144
   14    HG3  ARG   3           HG3      ARG   3   0.494   4.999  -5.403
   15    HD2  ARG   3           HD2      ARG   3  -0.200   5.859  -7.573
   16    HD3  ARG   3           HD3      ARG   3   0.290   4.350  -8.342
   17    HE   ARG   3           HE       ARG   3  -1.532   3.675  -6.373
   18   HH11  ARG   3          HH11      ARG   3  -1.489   5.585  -9.284
   19   HH12  ARG   3          HH12      ARG   3  -3.164   5.321  -9.638
   20   HH21  ARG   3          HH21      ARG   3  -3.739   3.320  -6.829
   21   HH22  ARG   3          HH22      ARG   3  -4.443   4.033  -8.240
   22    H    LEU   4           H        LEU   4   4.551   6.322  -5.855
   23    HA   LEU   4           HA       LEU   4   6.527   5.968  -7.969
   24    HB2  LEU   4           HB2      LEU   4   5.490   8.253  -6.386
   25    HB3  LEU   4           HB3      LEU   4   7.141   8.364  -6.992
   26    HG   LEU   4           HG       LEU   4   6.377   8.189  -9.265
   27   HD11  LEU   4          HD11      LEU   4   4.540   6.608  -8.871
   28   HD12  LEU   4          HD12      LEU   4   4.033   7.987  -9.846
   29   HD13  LEU   4          HD13      LEU   4   3.594   7.905  -8.140
   30   HD21  LEU   4          HD21      LEU   4   5.170  10.252  -9.464
   31   HD22  LEU   4          HD22      LEU   4   6.311  10.400  -8.128
   32   HD23  LEU   4          HD23      LEU   4   4.598  10.133  -7.800
   33    H    ALA   5           H        ALA   5   6.334   6.313  -4.468
   34    HA   ALA   5           HA       ALA   5   9.187   6.307  -4.103
   35    HB1  ALA   5           HB1      ALA   5   7.866   5.608  -1.695
   36    HB2  ALA   5           HB2      ALA   5   8.604   7.148  -2.137
   37    HB3  ALA   5           HB3      ALA   5   6.905   6.848  -2.501
   38    H    CYS   6           H        CYS   6   7.177   3.955  -5.096
   39    HA   CYS   6           HA       CYS   6   7.672   1.738  -3.488
   40    HB2  CYS   6           HB2      CYS   6   6.721   0.494  -5.162
   41    HB3  CYS   6           HB3      CYS   6   6.190   2.096  -5.666
   42    H    GLY   7           H        GLY   7   9.779   3.451  -5.603
   43    HA2  GLY   7           HA2      GLY   7  11.647   1.293  -5.990
   44    HA3  GLY   7           HA3      GLY   7  11.894   2.980  -6.419
   45    H    LEU   8           H        LEU   8  11.003   3.442  -3.445
   46    HA   LEU   8           HA       LEU   8  13.732   3.423  -2.434
   47    HB2  LEU   8           HB2      LEU   8  11.184   4.754  -1.611
   48    HB3  LEU   8           HB3      LEU   8  12.527   4.635  -0.475
   49    HG   LEU   8           HG       LEU   8  13.119   5.768  -3.150
   50   HD11  LEU   8          HD11      LEU   8  11.071   6.904  -2.768
   51   HD12  LEU   8          HD12      LEU   8  12.366   8.015  -2.325
   52   HD13  LEU   8          HD13      LEU   8  11.461   7.173  -1.069
   53   HD21  LEU   8          HD21      LEU   8  14.833   6.790  -2.062
   54   HD22  LEU   8          HD22      LEU   8  14.598   5.427  -0.968
   55   HD23  LEU   8          HD23      LEU   8  13.911   7.004  -0.574
   56    H    GLY   9           H        GLY   9  13.233   0.906  -2.511
   57    HA2  GLY   9           HA2      GLY   9  13.170  -1.010  -1.247
   58    HA3  GLY   9           HA3      GLY   9  13.278   0.025   0.169
   59    H    CYS  10           H        CYS  10  10.684   0.287  -2.159
   60    HA   CYS  10           HA       CYS  10   8.859  -1.006  -0.247
   61    HB2  CYS  10           HB2      CYS  10   8.570   1.365   0.065
   62    HB3  CYS  10           HB3      CYS  10   8.460   1.629  -1.672
   63    H    HIS  11           H        HIS  11   8.871  -2.869  -1.558
   64    HA   HIS  11           HA       HIS  11   7.191  -2.611  -3.948
   65    HB2  HIS  11           HB2      HIS  11   8.775  -4.642  -4.740
   66    HB3  HIS  11           HB3      HIS  11   9.080  -2.960  -5.164
   67    HD1  HIS  11           HD1      HIS  11  11.220  -1.935  -4.335
   68    HD2  HIS  11           HD2      HIS  11  10.422  -5.615  -2.581
   69    HE1  HIS  11           HE1      HIS  11  13.296  -2.530  -3.047
   70    HA   HYP  12           HA       HYP  12   7.007  -4.478  -5.617
   71    HB2  HYP  12           HB2      HYP  12   4.522  -5.251  -6.389
   72    HB3  HYP  12           HB3      HYP  12   5.868  -6.382  -6.214
   73    HG   HYP  12           HG       HYP  12   3.628  -5.795  -4.317
   74   HD22  HYP  12          HD2       HYP  12   4.958  -6.101  -2.460
   75   HD23  HYP  12          HD3       HYP  12   6.115  -7.121  -3.338
   76    HD1  HYP  12           HOD      HYP  12   5.128  -7.819  -4.502
   77    H    CYS  13           H        CYS  13   5.748  -3.030  -7.053
   78    HA   CYS  13           HA       CYS  13   4.653  -0.821  -5.508
   79    HB2  CYS  13           HB2      CYS  13   4.932  -0.755  -8.486
   80    HB3  CYS  13           HB3      CYS  13   5.140   0.544  -7.317
   81    H    CYS  14           H        CYS  14   2.591   0.208  -5.957
   82    HA   CYS  14           HA       CYS  14   0.603  -1.659  -6.839
   83    HB2  CYS  14           HB3      CYS  14   0.651   0.681  -5.228
   84    HB3  CYS  14           HB2      CYS  14  -0.744   0.356  -6.012
   85    HN1  NH2  15           1HN      NH2  15  -0.369  -0.281  -9.846
   86    HN2  NH2  15           2HN      NH2  15  -0.458  -1.591  -8.717
  Start of MODEL   25
    1    H1   CYS   1           H        CYS   1   0.854  -0.662   0.548
    2    HA   CYS   1           HA       CYS   1   3.262  -0.522  -0.717
    3    HB2  CYS   1           HB2      CYS   1   2.134  -1.001  -2.770
    4    HB3  CYS   1           HB3      CYS   1   1.219  -1.780  -1.484
    5    H    CYS   2           H        CYS   2   4.198   0.811  -2.313
    6    HA   CYS   2           HA       CYS   2   3.249   3.600  -2.239
    7    HB2  CYS   2           HB2      CYS   2   6.081   2.841  -2.886
    8    HB3  CYS   2           HB3      CYS   2   5.458   4.363  -2.257
    9    H    ARG   3           H        ARG   3   3.350   4.836  -4.143
   10    HA   ARG   3           HA       ARG   3   3.138   3.237  -6.573
   11    HB2  ARG   3           HB2      ARG   3   2.359   6.061  -5.872
   12    HB3  ARG   3           HB3      ARG   3   2.347   5.479  -7.532
   13    HG2  ARG   3           HG2      ARG   3   0.956   3.616  -5.875
   14    HG3  ARG   3           HG3      ARG   3   0.328   5.240  -5.592
   15    HD2  ARG   3           HD2      ARG   3  -0.081   5.539  -7.951
   16    HD3  ARG   3           HD3      ARG   3   0.677   3.988  -8.312
   17    HE   ARG   3           HE       ARG   3  -1.384   3.448  -6.557
   18   HH11  ARG   3          HH11      ARG   3  -1.035   4.829  -9.734
   19   HH12  ARG   3          HH12      ARG   3  -2.595   4.305 -10.275
   20   HH21  ARG   3          HH21      ARG   3  -3.440   2.753  -7.258
   21   HH22  ARG   3          HH22      ARG   3  -3.963   3.125  -8.866
   22    H    LEU   4           H        LEU   4   4.581   6.401  -5.761
   23    HA   LEU   4           HA       LEU   4   6.529   6.035  -7.898
   24    HB2  LEU   4           HB2      LEU   4   5.553   8.326  -6.279
   25    HB3  LEU   4           HB3      LEU   4   7.187   8.416  -6.934
   26    HG   LEU   4           HG       LEU   4   6.352   8.262  -9.184
   27   HD11  LEU   4          HD11      LEU   4   4.507   6.703  -8.743
   28   HD12  LEU   4          HD12      LEU   4   3.989   8.095  -9.694
   29   HD13  LEU   4          HD13      LEU   4   3.601   8.008  -7.976
   30   HD21  LEU   4          HD21      LEU   4   5.167  10.341  -9.339
   31   HD22  LEU   4          HD22      LEU   4   6.350  10.469  -8.036
   32   HD23  LEU   4          HD23      LEU   4   4.644  10.222  -7.658
   33    H    ALA   5           H        ALA   5   6.378   6.362  -4.393
   34    HA   ALA   5           HA       ALA   5   9.234   6.320  -4.059
   35    HB1  ALA   5           HB1      ALA   5   7.930   5.622  -1.641
   36    HB2  ALA   5           HB2      ALA   5   8.683   7.156  -2.081
   37    HB3  ALA   5           HB3      ALA   5   6.976   6.879  -2.429
   38    H    CYS   6           H        CYS   6   7.186   3.998  -5.044
   39    HA   CYS   6           HA       CYS   6   7.671   1.766  -3.454
   40    HB2  CYS   6           HB2      CYS   6   6.687   0.544  -5.125
   41    HB3  CYS   6           HB3      CYS   6   6.170   2.154  -5.614
   42    H    GLY   7           H        GLY   7   9.775   3.466  -5.581
   43    HA2  GLY   7           HA2      GLY   7  11.613   1.288  -6.001
   44    HA3  GLY   7           HA3      GLY   7  11.876   2.973  -6.423
   45    H    LEU   8           H        LEU   8  11.022   3.429  -3.437
   46    HA   LEU   8           HA       LEU   8  13.762   3.372  -2.455
   47    HB2  LEU   8           HB2      LEU   8  11.245   4.609  -1.354
   48    HB3  LEU   8           HB3      LEU   8  12.819   4.703  -0.568
   49    HG   LEU   8           HG       LEU   8  12.407   5.740  -3.354
   50   HD11  LEU   8          HD11      LEU   8  12.282   7.598  -1.044
   51   HD12  LEU   8          HD12      LEU   8  10.830   6.682  -1.446
   52   HD13  LEU   8          HD13      LEU   8  11.570   7.735  -2.652
   53   HD21  LEU   8          HD21      LEU   8  14.692   5.350  -2.231
   54   HD22  LEU   8          HD22      LEU   8  14.281   6.756  -1.248
   55   HD23  LEU   8          HD23      LEU   8  14.388   6.907  -3.002
   56    H    GLY   9           H        GLY   9  13.231   0.861  -2.541
   57    HA2  GLY   9           HA2      GLY   9  13.159  -1.062  -1.287
   58    HA3  GLY   9           HA3      GLY   9  13.294  -0.036   0.134
   59    H    CYS  10           H        CYS  10  10.679   0.271  -2.165
   60    HA   CYS  10           HA       CYS  10   8.859  -1.011  -0.241
   61    HB2  CYS  10           HB2      CYS  10   8.602   1.361   0.087
   62    HB3  CYS  10           HB3      CYS  10   8.477   1.637  -1.647
   63    H    HIS  11           H        HIS  11   8.834  -2.866  -1.563
   64    HA   HIS  11           HA       HIS  11   7.132  -2.574  -3.933
   65    HB2  HIS  11           HB2      HIS  11   8.683  -4.620  -4.754
   66    HB3  HIS  11           HB3      HIS  11   9.004  -2.939  -5.171
   67    HD1  HIS  11           HD1      HIS  11  11.165  -1.944  -4.359
   68    HD2  HIS  11           HD2      HIS  11  10.340  -5.626  -2.618
   69    HE1  HIS  11           HE1      HIS  11  13.247  -2.573  -3.096
   70    HA   HYP  12           HA       HYP  12   6.908  -4.429  -5.611
   71    HB2  HYP  12           HB2      HYP  12   4.405  -5.167  -6.361
   72    HB3  HYP  12           HB3      HYP  12   5.739  -6.316  -6.206
   73    HG   HYP  12           HG       HYP  12   3.527  -5.712  -4.282
   74   HD22  HYP  12          HD2       HYP  12   4.872  -6.045  -2.442
   75   HD23  HYP  12          HD3       HYP  12   6.007  -7.074  -3.338
   76    HD1  HYP  12           HOD      HYP  12   4.999  -7.753  -4.495
   77    H    CYS  13           H        CYS  13   5.651  -2.958  -7.025
   78    HA   CYS  13           HA       CYS  13   4.600  -0.745  -5.456
   79    HB2  CYS  13           HB2      CYS  13   4.848  -0.665  -8.437
   80    HB3  CYS  13           HB3      CYS  13   5.084   0.625  -7.262
   81    H    CYS  14           H        CYS  14   2.546   0.312  -5.877
   82    HA   CYS  14           HA       CYS  14   0.526  -1.526  -6.748
   83    HB2  CYS  14           HB3      CYS  14   0.620   0.804  -5.125
   84    HB3  CYS  14           HB2      CYS  14  -0.788   0.501  -5.896
   85    HN1  NH2  15           1HN      NH2  15  -0.461  -0.119  -9.737
   86    HN2  NH2  15           2HN      NH2  15  -0.554  -1.434  -8.614
  Start of MODEL   26
    1    H1   CYS   1           H        CYS   1   0.703   0.095   0.385
    2    HA   CYS   1           HA       CYS   1   3.274  -0.742  -0.788
    3    HB2  CYS   1           HB2      CYS   1   2.183  -1.258  -2.853
    4    HB3  CYS   1           HB3      CYS   1   1.280  -2.066  -1.575
    5    H    CYS   2           H        CYS   2   4.183   0.620  -2.376
    6    HA   CYS   2           HA       CYS   2   3.143   3.377  -2.314
    7    HB2  CYS   2           HB2      CYS   2   6.004   2.710  -2.932
    8    HB3  CYS   2           HB3      CYS   2   5.326   4.211  -2.311
    9    H    ARG   3           H        ARG   3   3.222   4.614  -4.218
   10    HA   ARG   3           HA       ARG   3   3.086   3.008  -6.649
   11    HB2  ARG   3           HB2      ARG   3   2.218   5.812  -5.969
   12    HB3  ARG   3           HB3      ARG   3   2.224   5.211  -7.621
   13    HG2  ARG   3           HG2      ARG   3   0.877   3.400  -5.800
   14    HG3  ARG   3           HG3      ARG   3   0.157   5.011  -5.810
   15    HD2  ARG   3           HD2      ARG   3   0.803   3.545  -8.350
   16    HD3  ARG   3           HD3      ARG   3  -0.722   3.302  -7.499
   17    HE   ARG   3           HE       ARG   3   0.053   5.594  -9.052
   18   HH11  ARG   3          HH11      ARG   3  -2.004   4.425  -6.498
   19   HH12  ARG   3          HH12      ARG   3  -3.187   5.675  -6.702
   20   HH21  ARG   3          HH21      ARG   3  -1.497   7.244  -9.330
   21   HH22  ARG   3          HH22      ARG   3  -2.898   7.277  -8.313
   22    H    LEU   4           H        LEU   4   4.418   6.217  -5.825
   23    HA   LEU   4           HA       LEU   4   6.399   5.914  -7.942
   24    HB2  LEU   4           HB2      LEU   4   5.334   8.174  -6.333
   25    HB3  LEU   4           HB3      LEU   4   6.969   8.316  -6.976
   26    HG   LEU   4           HG       LEU   4   6.156   8.133  -9.232
   27   HD11  LEU   4          HD11      LEU   4   3.406   7.791  -8.043
   28   HD12  LEU   4          HD12      LEU   4   4.359   6.516  -8.802
   29   HD13  LEU   4          HD13      LEU   4   3.803   7.889  -9.759
   30   HD21  LEU   4          HD21      LEU   4   4.906  10.173  -9.397
   31   HD22  LEU   4          HD22      LEU   4   6.074  10.339  -8.086
   32   HD23  LEU   4          HD23      LEU   4   4.375  10.039  -7.721
   33    H    ALA   5           H        ALA   5   6.202   6.238  -4.439
   34    HA   ALA   5           HA       ALA   5   9.054   6.289  -4.077
   35    HB1  ALA   5           HB1      ALA   5   7.749   5.551  -1.671
   36    HB2  ALA   5           HB2      ALA   5   8.456   7.107  -2.105
   37    HB3  ALA   5           HB3      ALA   5   6.763   6.775  -2.470
   38    H    CYS   6           H        CYS   6   7.092   3.901  -5.080
   39    HA   CYS   6           HA       CYS   6   7.634   1.687  -3.483
   40    HB2  CYS   6           HB2      CYS   6   6.707   0.432  -5.163
   41    HB3  CYS   6           HB3      CYS   6   6.143   2.025  -5.659
   42    H    GLY   7           H        GLY   7   9.703   3.453  -5.591
   43    HA2  GLY   7           HA2      GLY   7  11.615   1.336  -5.991
   44    HA3  GLY   7           HA3      GLY   7  11.827   3.029  -6.411
   45    H    LEU   8           H        LEU   8  10.929   3.458  -3.434
   46    HA   LEU   8           HA       LEU   8  13.659   3.490  -2.425
   47    HB2  LEU   8           HB2      LEU   8  11.083   4.756  -1.579
   48    HB3  LEU   8           HB3      LEU   8  12.445   4.674  -0.463
   49    HG   LEU   8           HG       LEU   8  13.340   5.745  -2.960
   50   HD11  LEU   8          HD11      LEU   8  11.139   6.469  -3.458
   51   HD12  LEU   8          HD12      LEU   8  12.005   7.872  -2.834
   52   HD13  LEU   8          HD13      LEU   8  10.867   7.008  -1.801
   53   HD21  LEU   8          HD21      LEU   8  14.546   6.202  -1.000
   54   HD22  LEU   8          HD22      LEU   8  13.103   6.729  -0.131
   55   HD23  LEU   8          HD23      LEU   8  13.773   7.730  -1.420
   56    H    GLY   9           H        GLY   9  13.211   0.963  -2.515
   57    HA2  GLY   9           HA2      GLY   9  13.189  -0.960  -1.260
   58    HA3  GLY   9           HA3      GLY   9  13.277   0.070   0.161
   59    H    CYS  10           H        CYS  10  10.676   0.291  -2.164
   60    HA   CYS  10           HA       CYS  10   8.879  -1.049  -0.257
   61    HB2  CYS  10           HB2      CYS  10   8.542   1.314   0.067
   62    HB3  CYS  10           HB3      CYS  10   8.425   1.585  -1.669
   63    H    HIS  11           H        HIS  11   8.927  -2.905  -1.578
   64    HA   HIS  11           HA       HIS  11   7.241  -2.669  -3.965
   65    HB2  HIS  11           HB2      HIS  11   8.865  -4.663  -4.769
   66    HB3  HIS  11           HB3      HIS  11   9.135  -2.973  -5.184
   67    HD1  HIS  11           HD1      HIS  11  11.255  -1.909  -4.351
   68    HD2  HIS  11           HD2      HIS  11  10.533  -5.614  -2.616
   69    HE1  HIS  11           HE1      HIS  11  13.344  -2.468  -3.068
   70    HA   HYP  12           HA       HYP  12   7.093  -4.531  -5.643
   71    HB2  HYP  12           HB2      HYP  12   4.624  -5.350  -6.418
   72    HB3  HYP  12           HB3      HYP  12   5.993  -6.455  -6.249
   73    HG   HYP  12           HG       HYP  12   3.743  -5.923  -4.347
   74   HD22  HYP  12          HD2       HYP  12   5.080  -6.211  -2.493
   75   HD23  HYP  12          HD3       HYP  12   6.257  -7.203  -3.378
   76    HD1  HYP  12           HOD      HYP  12   5.283  -7.915  -4.544
   77    H    CYS  13           H        CYS  13   5.804  -3.102  -7.071
   78    HA   CYS  13           HA       CYS  13   4.665  -0.923  -5.514
   79    HB2  CYS  13           HB2      CYS  13   4.941  -0.836  -8.492
   80    HB3  CYS  13           HB3      CYS  13   5.123   0.461  -7.316
   81    H    CYS  14           H        CYS  14   2.583   0.066  -5.956
   82    HA   CYS  14           HA       CYS  14   0.632  -1.837  -6.846
   83    HB2  CYS  14           HB3      CYS  14   0.634   0.496  -5.224
   84    HB3  CYS  14           HB2      CYS  14  -0.755   0.147  -6.008
   85    HN1  NH2  15           1HN      NH2  15  -0.370  -0.464  -9.846
   86    HN2  NH2  15           2HN      NH2  15  -0.432  -1.781  -8.723
  Start of MODEL   27
    1    H1   CYS   1           H        CYS   1   0.643  -0.193   0.323
    2    HA   CYS   1           HA       CYS   1   3.297  -0.784  -0.792
    3    HB2  CYS   1           HB2      CYS   1   2.211  -1.312  -2.856
    4    HB3  CYS   1           HB3      CYS   1   1.307  -2.116  -1.576
    5    H    CYS   2           H        CYS   2   4.206   0.572  -2.384
    6    HA   CYS   2           HA       CYS   2   3.161   3.327  -2.338
    7    HB2  CYS   2           HB2      CYS   2   6.025   2.662  -2.946
    8    HB3  CYS   2           HB3      CYS   2   5.342   4.165  -2.335
    9    H    ARG   3           H        ARG   3   3.243   4.555  -4.248
   10    HA   ARG   3           HA       ARG   3   3.115   2.936  -6.671
   11    HB2  ARG   3           HB2      ARG   3   2.390   5.840  -6.237
   12    HB3  ARG   3           HB3      ARG   3   2.075   4.903  -7.692
   13    HG2  ARG   3           HG2      ARG   3   0.876   3.364  -5.806
   14    HG3  ARG   3           HG3      ARG   3   0.629   4.982  -5.147
   15    HD2  ARG   3           HD2      ARG   3  -0.040   4.180  -7.975
   16    HD3  ARG   3           HD3      ARG   3  -1.201   4.187  -6.647
   17    HE   ARG   3           HE       ARG   3   0.100   6.703  -6.909
   18   HH11  ARG   3          HH11      ARG   3  -2.396   4.703  -8.286
   19   HH12  ARG   3          HH12      ARG   3  -3.308   6.041  -8.903
   20   HH21  ARG   3          HH21      ARG   3  -1.093   8.472  -7.717
   21   HH22  ARG   3          HH22      ARG   3  -2.566   8.184  -8.580
   22    H    LEU   4           H        LEU   4   4.438   6.152  -5.861
   23    HA   LEU   4           HA       LEU   4   6.425   5.842  -7.972
   24    HB2  LEU   4           HB2      LEU   4   5.958   8.206  -6.165
   25    HB3  LEU   4           HB3      LEU   4   6.898   8.174  -7.656
   26    HG   LEU   4           HG       LEU   4   3.903   7.957  -7.384
   27   HD11  LEU   4          HD11      LEU   4   5.603  10.016  -8.779
   28   HD12  LEU   4          HD12      LEU   4   4.916  10.214  -7.167
   29   HD13  LEU   4          HD13      LEU   4   3.853  10.043  -8.563
   30   HD21  LEU   4          HD21      LEU   4   5.590   7.806  -9.880
   31   HD22  LEU   4          HD22      LEU   4   3.828   7.803  -9.804
   32   HD23  LEU   4          HD23      LEU   4   4.742   6.450  -9.135
   33    H    ALA   5           H        ALA   5   6.220   6.183  -4.471
   34    HA   ALA   5           HA       ALA   5   9.071   6.241  -4.103
   35    HB1  ALA   5           HB1      ALA   5   7.762   5.513  -1.696
   36    HB2  ALA   5           HB2      ALA   5   8.467   7.069  -2.137
   37    HB3  ALA   5           HB3      ALA   5   6.775   6.731  -2.503
   38    H    CYS   6           H        CYS   6   7.116   3.845  -5.098
   39    HA   CYS   6           HA       CYS   6   7.657   1.640  -3.489
   40    HB2  CYS   6           HB2      CYS   6   6.737   0.375  -5.164
   41    HB3  CYS   6           HB3      CYS   6   6.171   1.964  -5.669
   42    H    GLY   7           H        GLY   7   9.728   3.399  -5.601
   43    HA2  GLY   7           HA2      GLY   7  11.645   1.283  -5.985
   44    HA3  GLY   7           HA3      GLY   7  11.855   2.974  -6.414
   45    H    LEU   8           H        LEU   8  10.949   3.417  -3.441
   46    HA   LEU   8           HA       LEU   8  13.677   3.459  -2.426
   47    HB2  LEU   8           HB2      LEU   8  11.093   4.670  -1.483
   48    HB3  LEU   8           HB3      LEU   8  12.561   4.705  -0.507
   49    HG   LEU   8           HG       LEU   8  13.346   5.725  -2.971
   50   HD11  LEU   8          HD11      LEU   8  10.535   6.483  -2.321
   51   HD12  LEU   8          HD12      LEU   8  11.281   6.161  -3.886
   52   HD13  LEU   8          HD13      LEU   8  11.618   7.674  -3.043
   53   HD21  LEU   8          HD21      LEU   8  12.938   6.663  -0.224
   54   HD22  LEU   8          HD22      LEU   8  12.914   7.936  -1.444
   55   HD23  LEU   8          HD23      LEU   8  14.315   6.873  -1.305
   56    H    GLY   9           H        GLY   9  13.234   0.931  -2.504
   57    HA2  GLY   9           HA2      GLY   9  13.212  -0.985  -1.239
   58    HA3  GLY   9           HA3      GLY   9  13.295   0.052   0.177
   59    H    CYS  10           H        CYS  10  10.699   0.256  -2.155
   60    HA   CYS  10           HA       CYS  10   8.901  -1.077  -0.246
   61    HB2  CYS  10           HB2      CYS  10   8.558   1.286   0.065
   62    HB3  CYS  10           HB3      CYS  10   8.445   1.548  -1.672
   63    H    HIS  11           H        HIS  11   8.955  -2.939  -1.557
   64    HA   HIS  11           HA       HIS  11   7.274  -2.719  -3.949
   65    HB2  HIS  11           HB2      HIS  11   8.904  -4.715  -4.739
   66    HB3  HIS  11           HB3      HIS  11   9.172  -3.026  -5.162
   67    HD1  HIS  11           HD1      HIS  11  11.287  -1.954  -4.330
   68    HD2  HIS  11           HD2      HIS  11  10.568  -5.651  -2.577
   69    HE1  HIS  11           HE1      HIS  11  13.374  -2.503  -3.039
   70    HA   HYP  12           HA       HYP  12   7.134  -4.590  -5.618
   71    HB2  HYP  12           HB2      HYP  12   4.667  -5.417  -6.394
   72    HB3  HYP  12           HB3      HYP  12   6.038  -6.519  -6.217
   73    HG   HYP  12           HG       HYP  12   3.783  -5.981  -4.323
   74   HD22  HYP  12          HD2       HYP  12   5.116  -6.257  -2.464
   75   HD23  HYP  12          HD3       HYP  12   6.297  -7.252  -3.341
   76    HD1  HYP  12           HOD      HYP  12   5.327  -7.971  -4.505
   77    H    CYS  13           H        CYS  13   5.845  -3.170  -7.056
   78    HA   CYS  13           HA       CYS  13   4.699  -0.986  -5.513
   79    HB2  CYS  13           HB2      CYS  13   4.981  -0.914  -8.491
   80    HB3  CYS  13           HB3      CYS  13   5.158   0.390  -7.321
   81    H    CYS  14           H        CYS  14   2.616  -0.002  -5.966
   82    HA   CYS  14           HA       CYS  14   0.671  -1.914  -6.850
   83    HB2  CYS  14           HB3      CYS  14   0.665   0.427  -5.239
   84    HB3  CYS  14           HB2      CYS  14  -0.722   0.072  -6.025
   85    HN1  NH2  15           1HN      NH2  15  -0.327  -0.557  -9.859
   86    HN2  NH2  15           2HN      NH2  15  -0.389  -1.869  -8.729
  Start of MODEL   28
    1    H1   CYS   1           H        CYS   1   0.856   0.688   0.410
    2    HA   CYS   1           HA       CYS   1   3.212  -0.502  -0.833
    3    HB2  CYS   1           HB2      CYS   1   2.125  -1.012  -2.901
    4    HB3  CYS   1           HB3      CYS   1   1.182  -1.770  -1.622
    5    H    CYS   2           H        CYS   2   4.181   0.805  -2.431
    6    HA   CYS   2           HA       CYS   2   3.234   3.595  -2.420
    7    HB2  CYS   2           HB2      CYS   2   6.077   2.824  -2.997
    8    HB3  CYS   2           HB3      CYS   2   5.443   4.357  -2.405
    9    H    ARG   3           H        ARG   3   3.374   4.801  -4.340
   10    HA   ARG   3           HA       ARG   3   3.209   3.165  -6.749
   11    HB2  ARG   3           HB2      ARG   3   2.585   6.097  -6.351
   12    HB3  ARG   3           HB3      ARG   3   2.246   5.155  -7.797
   13    HG2  ARG   3           HG2      ARG   3   0.999   3.697  -5.848
   14    HG3  ARG   3           HG3      ARG   3   0.761   5.356  -5.298
   15    HD2  ARG   3           HD2      ARG   3  -0.389   5.960  -7.236
   16    HD3  ARG   3           HD3      ARG   3   0.230   4.581  -8.143
   17    HE   ARG   3           HE       ARG   3  -1.305   3.609  -6.022
   18   HH11  ARG   3          HH11      ARG   3  -1.716   5.422  -8.965
   19   HH12  ARG   3          HH12      ARG   3  -3.341   4.880  -9.226
   20   HH21  ARG   3          HH21      ARG   3  -3.444   2.889  -6.354
   21   HH22  ARG   3          HH22      ARG   3  -4.323   3.440  -7.739
   22    H    LEU   4           H        LEU   4   4.639   6.340  -5.958
   23    HA   LEU   4           HA       LEU   4   6.630   5.939  -8.049
   24    HB2  LEU   4           HB2      LEU   4   6.247   8.336  -6.268
   25    HB3  LEU   4           HB3      LEU   4   7.176   8.254  -7.764
   26    HG   LEU   4           HG       LEU   4   4.177   8.149  -7.474
   27   HD11  LEU   4          HD11      LEU   4   5.275  10.370  -7.286
   28   HD12  LEU   4          HD12      LEU   4   4.197  10.223  -8.674
   29   HD13  LEU   4          HD13      LEU   4   5.943  10.130  -8.900
   30   HD21  LEU   4          HD21      LEU   4   4.953   6.595  -9.213
   31   HD22  LEU   4          HD22      LEU   4   5.846   7.911  -9.976
   32   HD23  LEU   4          HD23      LEU   4   4.085   7.973  -9.891
   33    H    ALA   5           H        ALA   5   6.409   6.321  -4.553
   34    HA   ALA   5           HA       ALA   5   9.257   6.282  -4.161
   35    HB1  ALA   5           HB1      ALA   5   7.905   5.623  -1.759
   36    HB2  ALA   5           HB2      ALA   5   8.667   7.149  -2.208
   37    HB3  ALA   5           HB3      ALA   5   6.968   6.868  -2.586
   38    H    CYS   6           H        CYS   6   7.227   3.946  -5.150
   39    HA   CYS   6           HA       CYS   6   7.677   1.739  -3.516
   40    HB2  CYS   6           HB2      CYS   6   6.725   0.492  -5.187
   41    HB3  CYS   6           HB3      CYS   6   6.221   2.095  -5.712
   42    H    GLY   7           H        GLY   7   9.826   3.403  -5.627
   43    HA2  GLY   7           HA2      GLY   7  11.669   1.218  -5.976
   44    HA3  GLY   7           HA3      GLY   7  11.943   2.896  -6.419
   45    H    LEU   8           H        LEU   8  11.029   3.400  -3.458
   46    HA   LEU   8           HA       LEU   8  13.748   3.355  -2.420
   47    HB2  LEU   8           HB2      LEU   8  11.207   4.714  -1.611
   48    HB3  LEU   8           HB3      LEU   8  12.564   4.612  -0.491
   49    HG   LEU   8           HG       LEU   8  13.254   5.659  -3.146
   50   HD11  LEU   8          HD11      LEU   8  11.587   7.371  -1.317
   51   HD12  LEU   8          HD12      LEU   8  10.947   6.570  -2.751
   52   HD13  LEU   8          HD13      LEU   8  12.219   7.781  -2.912
   53   HD21  LEU   8          HD21      LEU   8  13.756   7.250  -0.747
   54   HD22  LEU   8          HD22      LEU   8  14.876   6.664  -1.977
   55   HD23  LEU   8          HD23      LEU   8  14.384   5.604  -0.655
   56    H    GLY   9           H        GLY   9  13.217   0.844  -2.478
   57    HA2  GLY   9           HA2      GLY   9  13.117  -1.059  -1.196
   58    HA3  GLY   9           HA3      GLY   9  13.225  -0.012   0.211
   59    H    CYS  10           H        CYS  10  10.657   0.262  -2.145
   60    HA   CYS  10           HA       CYS  10   8.797  -0.988  -0.237
   61    HB2  CYS  10           HB2      CYS  10   8.536   1.389   0.048
   62    HB3  CYS  10           HB3      CYS  10   8.446   1.637  -1.692
   63    H    HIS  11           H        HIS  11   8.796  -2.864  -1.530
   64    HA   HIS  11           HA       HIS  11   7.143  -2.608  -3.938
   65    HB2  HIS  11           HB2      HIS  11   8.707  -4.667  -4.696
   66    HB3  HIS  11           HB3      HIS  11   9.039  -2.993  -5.133
   67    HD1  HIS  11           HD1      HIS  11  11.184  -1.988  -4.293
   68    HD2  HIS  11           HD2      HIS  11  10.320  -5.641  -2.512
   69    HE1  HIS  11           HE1      HIS  11  13.240  -2.598  -2.979
   70    HA   HYP  12           HA       HYP  12   6.950  -4.489  -5.591
   71    HB2  HYP  12           HB2      HYP  12   4.462  -5.236  -6.380
   72    HB3  HYP  12           HB3      HYP  12   5.792  -6.383  -6.181
   73    HG   HYP  12           HG       HYP  12   3.542  -5.748  -4.311
   74   HD22  HYP  12          HD2       HYP  12   4.849  -6.053  -2.439
   75   HD23  HYP  12          HD3       HYP  12   6.001  -7.097  -3.296
   76    HD1  HYP  12           HOD      HYP  12   5.016  -7.793  -4.462
   77    H    CYS  13           H        CYS  13   5.723  -3.038  -7.053
   78    HA   CYS  13           HA       CYS  13   4.644  -0.800  -5.540
   79    HB2  CYS  13           HB2      CYS  13   4.952  -0.767  -8.516
   80    HB3  CYS  13           HB3      CYS  13   5.166   0.541  -7.357
   81    H    CYS  14           H        CYS  14   2.600   0.252  -6.019
   82    HA   CYS  14           HA       CYS  14   0.596  -1.598  -6.902
   83    HB2  CYS  14           HB3      CYS  14   0.660   0.757  -5.314
   84    HB3  CYS  14           HB2      CYS  14  -0.732   0.443  -6.108
   85    HN1  NH2  15           1HN      NH2  15  -0.329  -0.237  -9.932
   86    HN2  NH2  15           2HN      NH2  15  -0.447  -1.535  -8.790
  Start of MODEL   29
    1    H1   CYS   1           H        CYS   1   0.943   0.670   0.538
    2    HA   CYS   1           HA       CYS   1   3.234  -0.543  -0.772
    3    HB2  CYS   1           HB2      CYS   1   2.130  -1.027  -2.838
    4    HB3  CYS   1           HB3      CYS   1   1.200  -1.804  -1.561
    5    H    CYS   2           H        CYS   2   4.188   0.787  -2.360
    6    HA   CYS   2           HA       CYS   2   3.235   3.575  -2.306
    7    HB2  CYS   2           HB2      CYS   2   6.075   2.817  -2.917
    8    HB3  CYS   2           HB3      CYS   2   5.444   4.340  -2.300
    9    H    ARG   3           H        ARG   3   3.358   4.806  -4.211
   10    HA   ARG   3           HA       ARG   3   3.175   3.201  -6.640
   11    HB2  ARG   3           HB2      ARG   3   2.240   5.908  -5.813
   12    HB3  ARG   3           HB3      ARG   3   2.521   5.618  -7.524
   13    HG2  ARG   3           HG2      ARG   3   1.042   3.422  -6.612
   14    HG3  ARG   3           HG3      ARG   3   0.298   4.850  -5.889
   15    HD2  ARG   3           HD2      ARG   3  -0.096   5.834  -7.992
   16    HD3  ARG   3           HD3      ARG   3   0.992   4.713  -8.809
   17    HE   ARG   3           HE       ARG   3  -0.718   3.194  -8.933
   18   HH11  ARG   3          HH11      ARG   3  -1.561   5.688  -6.655
   19   HH12  ARG   3          HH12      ARG   3  -3.196   5.147  -6.470
   20   HH21  ARG   3          HH21      ARG   3  -2.869   2.472  -8.697
   21   HH22  ARG   3          HH22      ARG   3  -3.939   3.318  -7.631
   22    H    LEU   4           H        LEU   4   4.606   6.368  -5.819
   23    HA   LEU   4           HA       LEU   4   6.581   5.998  -7.932
   24    HB2  LEU   4           HB2      LEU   4   5.582   8.292  -6.332
   25    HB3  LEU   4           HB3      LEU   4   7.225   8.382  -6.965
   26    HG   LEU   4           HG       LEU   4   6.419   8.221  -9.226
   27   HD11  LEU   4          HD11      LEU   4   4.568   6.663  -8.802
   28   HD12  LEU   4          HD12      LEU   4   4.064   8.050  -9.767
   29   HD13  LEU   4          HD13      LEU   4   3.653   7.972  -8.054
   30   HD21  LEU   4          HD21      LEU   4   4.690  10.185  -7.730
   31   HD22  LEU   4          HD22      LEU   4   5.239  10.300  -9.403
   32   HD23  LEU   4          HD23      LEU   4   6.401  10.430  -8.082
   33    H    ALA   5           H        ALA   5   6.388   6.334  -4.430
   34    HA   ALA   5           HA       ALA   5   9.239   6.295  -4.062
   35    HB1  ALA   5           HB1      ALA   5   7.908   5.603  -1.657
   36    HB2  ALA   5           HB2      ALA   5   8.664   7.136  -2.094
   37    HB3  ALA   5           HB3      ALA   5   6.962   6.857  -2.461
   38    H    CYS   6           H        CYS   6   7.205   3.969  -5.065
   39    HA   CYS   6           HA       CYS   6   7.672   1.742  -3.463
   40    HB2  CYS   6           HB2      CYS   6   6.709   0.514  -5.142
   41    HB3  CYS   6           HB3      CYS   6   6.197   2.123  -5.642
   42    H    GLY   7           H        GLY   7   9.801   3.437  -5.570
   43    HA2  GLY   7           HA2      GLY   7  11.645   1.259  -5.962
   44    HA3  GLY   7           HA3      GLY   7  11.912   2.944  -6.385
   45    H    LEU   8           H        LEU   8  11.022   3.407  -3.411
   46    HA   LEU   8           HA       LEU   8  13.750   3.355  -2.397
   47    HB2  LEU   8           HB2      LEU   8  11.212   4.694  -1.540
   48    HB3  LEU   8           HB3      LEU   8  12.589   4.589  -0.444
   49    HG   LEU   8           HG       LEU   8  13.912   5.713  -2.354
   50   HD11  LEU   8          HD11      LEU   8  11.094   5.991  -3.279
   51   HD12  LEU   8          HD12      LEU   8  12.565   5.709  -4.209
   52   HD13  LEU   8          HD13      LEU   8  12.227   7.313  -3.560
   53   HD21  LEU   8          HD21      LEU   8  11.972   7.670  -1.331
   54   HD22  LEU   8          HD22      LEU   8  13.730   7.625  -1.185
   55   HD23  LEU   8          HD23      LEU   8  12.729   6.651  -0.107
   56    H    GLY   9           H        GLY   9  13.222   0.843  -2.482
   57    HA2  GLY   9           HA2      GLY   9  13.136  -1.076  -1.224
   58    HA3  GLY   9           HA3      GLY   9  13.255  -0.047   0.195
   59    H    CYS  10           H        CYS  10  10.666   0.253  -2.135
   60    HA   CYS  10           HA       CYS  10   8.824  -1.026  -0.229
   61    HB2  CYS  10           HB2      CYS  10   8.562   1.347   0.090
   62    HB3  CYS  10           HB3      CYS  10   8.457   1.618  -1.647
   63    H    HIS  11           H        HIS  11   8.816  -2.885  -1.546
   64    HA   HIS  11           HA       HIS  11   7.142  -2.600  -3.937
   65    HB2  HIS  11           HB2      HIS  11   8.704  -4.647  -4.734
   66    HB3  HIS  11           HB3      HIS  11   9.029  -2.967  -5.152
   67    HD1  HIS  11           HD1      HIS  11  11.178  -1.966  -4.313
   68    HD2  HIS  11           HD2      HIS  11  10.339  -5.648  -2.580
   69    HE1  HIS  11           HE1      HIS  11  13.246  -2.590  -3.026
   70    HA   HYP  12           HA       HYP  12   6.939  -4.460  -5.612
   71    HB2  HYP  12           HB2      HYP  12   4.446  -5.201  -6.390
   72    HB3  HYP  12           HB3      HYP  12   5.779  -6.349  -6.216
   73    HG   HYP  12           HG       HYP  12   3.543  -5.741  -4.320
   74   HD22  HYP  12          HD2       HYP  12   4.867  -6.068  -2.463
   75   HD23  HYP  12          HD3       HYP  12   6.014  -7.099  -3.343
   76    HD1  HYP  12           HOD      HYP  12   5.020  -7.782  -4.510
   77    H    CYS  13           H        CYS  13   5.698  -2.993  -7.045
   78    HA   CYS  13           HA       CYS  13   4.627  -0.776  -5.494
   79    HB2  CYS  13           HB2      CYS  13   4.910  -0.704  -8.472
   80    HB3  CYS  13           HB3      CYS  13   5.132   0.589  -7.298
   81    H    CYS  14           H        CYS  14   2.578   0.278  -5.943
   82    HA   CYS  14           HA       CYS  14   0.569  -1.564  -6.833
   83    HB2  CYS  14           HB3      CYS  14   0.642   0.770  -5.214
   84    HB3  CYS  14           HB2      CYS  14  -0.756   0.464  -6.001
   85    HN1  NH2  15           1HN      NH2  15  -0.383  -0.165  -9.837
   86    HN2  NH2  15           2HN      NH2  15  -0.489  -1.477  -8.712
  Start of MODEL   30
    1    H1   CYS   1           H        CYS   1   0.988   0.754   0.565
    2    HA   CYS   1           HA       CYS   1   3.234  -0.505  -0.758
    3    HB2  CYS   1           HB2      CYS   1   2.123  -1.008  -2.816
    4    HB3  CYS   1           HB3      CYS   1   1.194  -1.767  -1.528
    5    H    CYS   2           H        CYS   2   4.188   0.804  -2.363
    6    HA   CYS   2           HA       CYS   2   3.246   3.596  -2.336
    7    HB2  CYS   2           HB2      CYS   2   6.082   2.821  -2.946
    8    HB3  CYS   2           HB3      CYS   2   5.457   4.353  -2.344
    9    H    ARG   3           H        ARG   3   3.368   4.806  -4.255
   10    HA   ARG   3           HA       ARG   3   3.174   3.175  -6.666
   11    HB2  ARG   3           HB2      ARG   3   2.265   5.907  -5.878
   12    HB3  ARG   3           HB3      ARG   3   2.514   5.568  -7.585
   13    HG2  ARG   3           HG2      ARG   3   1.020   3.427  -6.481
   14    HG3  ARG   3           HG3      ARG   3   0.280   4.943  -5.962
   15    HD2  ARG   3           HD2      ARG   3   0.085   5.691  -8.234
   16    HD3  ARG   3           HD3      ARG   3   1.010   4.307  -8.816
   17    HE   ARG   3           HE       ARG   3  -0.886   3.023  -8.687
   18   HH11  ARG   3          HH11      ARG   3  -1.389   6.004  -6.960
   19   HH12  ARG   3          HH12      ARG   3  -3.084   5.735  -6.726
   20   HH21  ARG   3          HH21      ARG   3  -3.117   2.657  -8.385
   21   HH22  ARG   3          HH22      ARG   3  -4.066   3.830  -7.536
   22    H    LEU   4           H        LEU   4   4.618   6.346  -5.883
   23    HA   LEU   4           HA       LEU   4   6.586   5.946  -7.997
   24    HB2  LEU   4           HB2      LEU   4   6.214   8.339  -6.207
   25    HB3  LEU   4           HB3      LEU   4   7.145   8.261  -7.701
   26    HG   LEU   4           HG       LEU   4   4.145   8.158  -7.415
   27   HD11  LEU   4          HD11      LEU   4   4.168  10.235  -8.608
   28   HD12  LEU   4          HD12      LEU   4   5.915  10.142  -8.832
   29   HD13  LEU   4          HD13      LEU   4   5.244  10.377  -7.218
   30   HD21  LEU   4          HD21      LEU   4   4.054   7.988  -9.832
   31   HD22  LEU   4          HD22      LEU   4   4.921   6.608  -9.158
   32   HD23  LEU   4          HD23      LEU   4   5.814   7.927  -9.917
   33    H    ALA   5           H        ALA   5   6.403   6.321  -4.498
   34    HA   ALA   5           HA       ALA   5   9.255   6.275  -4.137
   35    HB1  ALA   5           HB1      ALA   5   7.928   5.614  -1.722
   36    HB2  ALA   5           HB2      ALA   5   8.689   7.139  -2.176
   37    HB3  ALA   5           HB3      ALA   5   6.984   6.863  -2.536
   38    H    CYS   6           H        CYS   6   7.210   3.946  -5.109
   39    HA   CYS   6           HA       CYS   6   7.674   1.734  -3.485
   40    HB2  CYS   6           HB2      CYS   6   6.702   0.492  -5.148
   41    HB3  CYS   6           HB3      CYS   6   6.194   2.097  -5.664
   42    H    GLY   7           H        GLY   7   9.803   3.400  -5.616
   43    HA2  GLY   7           HA2      GLY   7  11.638   1.211  -5.989
   44    HA3  GLY   7           HA3      GLY   7  11.910   2.890  -6.431
   45    H    LEU   8           H        LEU   8  11.030   3.388  -3.459
   46    HA   LEU   8           HA       LEU   8  13.760   3.337  -2.452
   47    HB2  LEU   8           HB2      LEU   8  11.229   4.696  -1.606
   48    HB3  LEU   8           HB3      LEU   8  12.605   4.594  -0.509
   49    HG   LEU   8           HG       LEU   8  13.691   5.593  -2.856
   50   HD11  LEU   8          HD11      LEU   8  11.264   7.249  -2.316
   51   HD12  LEU   8          HD12      LEU   8  11.191   5.913  -3.464
   52   HD13  LEU   8          HD13      LEU   8  12.324   7.238  -3.725
   53   HD21  LEU   8          HD21      LEU   8  12.834   6.812  -0.255
   54   HD22  LEU   8          HD22      LEU   8  13.618   7.778  -1.505
   55   HD23  LEU   8          HD23      LEU   8  14.457   6.392  -0.805
   56    H    GLY   9           H        GLY   9  13.223   0.826  -2.509
   57    HA2  GLY   9           HA2      GLY   9  13.133  -1.079  -1.230
   58    HA3  GLY   9           HA3      GLY   9  13.259  -0.035   0.178
   59    H    CYS  10           H        CYS  10  10.666   0.249  -2.149
   60    HA   CYS  10           HA       CYS  10   8.824  -1.003  -0.225
   61    HB2  CYS  10           HB2      CYS  10   8.571   1.374   0.069
   62    HB3  CYS  10           HB3      CYS  10   8.463   1.627  -1.670
   63    H    HIS  11           H        HIS  11   8.806  -2.875  -1.522
   64    HA   HIS  11           HA       HIS  11   7.127  -2.611  -3.911
   65    HB2  HIS  11           HB2      HIS  11   8.680  -4.671  -4.690
   66    HB3  HIS  11           HB3      HIS  11   9.009  -2.997  -5.127
   67    HD1  HIS  11           HD1      HIS  11  11.165  -1.998  -4.309
   68    HD2  HIS  11           HD2      HIS  11  10.314  -5.653  -2.526
   69    HE1  HIS  11           HE1      HIS  11  13.234  -2.614  -3.019
   70    HA   HYP  12           HA       HYP  12   6.913  -4.487  -5.566
   71    HB2  HYP  12           HB2      HYP  12   4.415  -5.228  -6.329
   72    HB3  HYP  12           HB3      HYP  12   5.744  -6.379  -6.147
   73    HG   HYP  12           HG       HYP  12   3.516  -5.743  -4.252
   74   HD22  HYP  12          HD2       HYP  12   4.844  -6.055  -2.394
   75   HD23  HYP  12          HD3       HYP  12   5.984  -7.099  -3.266
   76    HD1  HYP  12           HOD      HYP  12   4.985  -7.791  -4.423
   77    H    CYS  13           H        CYS  13   5.673  -3.032  -7.012
   78    HA   CYS  13           HA       CYS  13   4.614  -0.795  -5.482
   79    HB2  CYS  13           HB2      CYS  13   4.890  -0.755  -8.461
   80    HB3  CYS  13           HB3      CYS  13   5.119   0.550  -7.301
   81    H    CYS  14           H        CYS  14   2.567   0.262  -5.936
   82    HA   CYS  14           HA       CYS  14   0.550  -1.582  -6.801
   83    HB2  CYS  14           HB3      CYS  14   0.636   0.769  -5.208
   84    HB3  CYS  14           HB2      CYS  14  -0.766   0.460  -5.988
   85    HN1  NH2  15           1HN      NH2  15  -0.405  -0.213  -9.817
   86    HN2  NH2  15           2HN      NH2  15  -0.513  -1.513  -8.678