*HEADER    ANTIMICROBIAL PROTEIN                   28-JUL-16   5LM0              
*TITLE     NMR SPATIAL STRUCTURE OF TK-HEFU PEPTIDE                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: L-2;                                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 125-152;                                      
*COMPND   5 SYNONYM: TK-HEFU;                                                    
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: TRITICUM KIHARAE;                               
*SOURCE   3 ORGANISM_COMMON: WHEAT;                                              
*SOURCE   4 ORGANISM_TAXID: 376535;                                              
*SOURCE   5 GENE: L-2;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    PROTEIN MUTANT PLANT DEFENSE PEPTIDE, PROTEIN, ANTI MICROBIAL         
*KEYWDS   2 PROTEIN, ANTIMICROBIAL PROTEIN                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    K.S.MINEEV,A.A.BERKUT,E.V.NOVIKOVA,P.B.OPARIN,E.V.GRISHIN,            
*AUTHOR   2 A.S.ARSENIEV,A.A.VASSILEVSKI                                         
*REVDAT   1   16-AUG-17 5LM0    0                                                
# Restraints file 1: tkhefu.upl
 28 GLY  H      28 GLY  QA      3.92            #peak 1
 27 TYR  H      27 TYR  HB3     4.43            #peak 2
 27 TYR  H      27 TYR  HB2     3.77            #peak 3
 26 ARG  H      26 ARG  HA      3.61            #peak 4
 25 CYSS H      25 CYSS HA      3.80            #peak 5
 25 CYSS H      25 CYSS QB      3.34            #peak 6
 24 GLY  H      24 GLY  HA2     3.31            #peak 7
 23 GLU  H      23 GLU  HA      3.53            #peak 8
 24 GLY  H      24 GLY  HA3     2.96            #peak 9
 22 LYS  H      22 LYS  HA      3.11            #peak 10
 21 CYSS H      21 CYSS HA      3.74            #peak 11
 21 CYSS H      21 CYSS HB2     3.23            #peak 12
 21 CYSS H      21 CYSS HB3     3.20            #peak 13
 19 LYS  H      20 GLN  H       3.33            #peak 15
 14 ASP  HA     17 GLU  H       5.50            #peak 16
 17 GLU  H      17 GLU  HA      3.50            #peak 17
 19 LYS  H      19 LYS  HA      3.45            #peak 18
 17 GLU  H      17 GLU  QG      3.52            #peak 19
 17 GLU  H      17 GLU  HB3     4.00            #peak 20
 17 GLU  H      17 GLU  HB2     3.22            #peak 21
 16 ARG  H      16 ARG  HA      3.59            #peak 22
 14 ASP  H      14 ASP  HB3     3.24            #peak 23
 14 ASP  H      14 ASP  HB2     3.21            #peak 24
 15 ARG  H      15 ARG  HA      2.73            #peak 25
  4 ARG  HA      5 CYSS H       3.94            #peak 26
  5 CYSS H       6 TYR  H       3.20            #peak 27
  5 CYSS H       5 CYSS HA      3.48            #peak 28
 27 TYR  HA     28 GLY  H       4.43            #peak 29
 27 TYR  HB2    28 GLY  H       5.24            #peak 31
 27 TYR  HB3    28 GLY  H       5.39            #peak 32
 19 LYS  HG3    20 GLN  H       5.50            #peak 33
 19 LYS  HA     20 GLN  H       4.25            #peak 34
 19 LYS  HB3    20 GLN  H       3.28            #peak 35
 19 LYS  HD3    20 GLN  H       5.50            #peak 36
 17 GLU  HA     20 GLN  H       4.23            #peak 37
 19 LYS  HG2    20 GLN  H       5.33            #peak 38
 12 TYR  H      12 TYR  HB3     3.74            #peak 39
  9 CYSS HA     12 TYR  H       4.80            #peak 40
 11 ARG  HA     12 TYR  H       3.72            #peak 41
 12 TYR  H      12 TYR  HA      3.58            #peak 42
 11 ARG  H      12 TYR  H       3.27            #peak 43
 12 TYR  H      12 TYR  HB2     3.10            #peak 44
 15 ARG  HA     16 ARG  H       4.26            #peak 47
 14 ASP  HA     16 ARG  H       4.67            #peak 48
 19 LYS  HA     23 GLU  H       5.17            #peak 49
 22 LYS  HA     23 GLU  H       4.18            #peak 50
 21 CYSS HA     23 GLU  H       5.50            #peak 51
 16 ARG  HA     19 LYS  H       4.03            #peak 54
 18 LYS  HA     19 LYS  H       3.98            #peak 55
 18 LYS  H      19 LYS  H       3.43            #peak 56
  7 ARG  HA      8 MET  H       4.29            #peak 57
  8 MET  H       8 MET  HA      3.76            #peak 58
  5 CYSS HA      8 MET  H       4.59            #peak 59
 16 ARG  HA     17 GLU  H       4.12            #peak 62
 12 TYR  HB3    17 GLU  H       5.50            #peak 63
 16 ARG  H      17 GLU  H       3.25            #peak 64
 14 ASP  HB2    17 GLU  H       3.95            #peak 65
 17 GLU  H      18 LYS  H       3.29            #peak 66
 14 ASP  HB3    17 GLU  H       4.75            #peak 67
 12 TYR  HB3    14 ASP  H       4.04            #peak 68
 12 TYR  HA     14 ASP  H       4.49            #peak 69
 14 ASP  H      14 ASP  HA      3.46            #peak 71
 13 HIS  HA     14 ASP  H       4.06            #peak 72
 20 GLN  HA     21 CYSS H       4.18            #peak 73
 19 LYS  HA     21 CYSS H       5.50            #peak 74
 18 LYS  HA     21 CYSS H       4.00            #peak 75
 16 ARG  HA     18 LYS  H       5.46            #peak 77
 12 TYR  HB3    18 LYS  H       4.59            #peak 78
 17 GLU  HB3    18 LYS  H       4.34            #peak 79
 17 GLU  HB2    18 LYS  H       3.82            #peak 81
 15 ARG  HA     18 LYS  H       4.16            #peak 83
 12 TYR  HB2    18 LYS  H       4.72            #peak 84
 17 GLU  HA     18 LYS  H       3.41            #peak 85
 12 TYR  HA     13 HIS  H       2.40            #peak 86
 15 ARG  H      16 ARG  H       2.96            #peak 87
 14 ASP  H      15 ARG  H       4.58            #peak 88
 14 ASP  HA     15 ARG  H       2.40            #peak 89
  6 TYR  H       6 TYR  HA      3.67            #peak 91
  5 CYSS HA      6 TYR  H       4.34            #peak 92
  3 ASP  HA      6 TYR  H       4.78            #peak 93
  6 TYR  H       7 ARG  H       3.52            #peak 94
 24 GLY  HA2    26 ARG  H       4.56            #peak 95
 25 CYSS QB     26 ARG  H       4.15            #peak 96
 25 CYSS HA     26 ARG  H       3.68            #peak 97
 25 CYSS H      26 ARG  H       3.75            #peak 98
 24 GLY  HA3    26 ARG  H       5.40            #peak 99
  9 CYSS HA     11 ARG  H       4.62            #peak 101
 11 ARG  H      11 ARG  HA      3.47            #peak 102
  8 MET  HA     11 ARG  H       5.04            #peak 103
 10 GLN  H      11 ARG  H       3.50            #peak 104
 24 GLY  HA2    25 CYSS H       4.17            #peak 105
 21 CYSS HA     25 CYSS H       5.46            #peak 107
 24 GLY  H      25 CYSS H       3.29            #peak 108
 24 GLY  HA3    25 CYSS H       3.69            #peak 109
  3 ASP  H       6 TYR  QB      5.03            #peak 110
 23 GLU  H      24 GLY  H       3.26            #peak 111
 21 CYSS HA     24 GLY  H       4.63            #peak 113
 27 TYR  H      28 GLY  H       4.20            #peak 114
 26 ARG  HA     27 TYR  H       3.64            #peak 115
  9 CYSS HA     10 GLN  H       4.22            #peak 116
 10 GLN  H      10 GLN  HA      3.48            #peak 117
  8 MET  HA     10 GLN  H       4.89            #peak 118
  9 CYSS HB2    10 GLN  H       4.45            #peak 119
  9 CYSS HB3    10 GLN  H       4.98            #peak 121
  9 CYSS H      10 GLN  H       3.49            #peak 122
  4 ARG  H       4 ARG  HA      3.58            #peak 123
  3 ASP  HA      4 ARG  H       3.76            #peak 124
 20 GLN  HA     22 LYS  H       4.53            #peak 125
 22 LYS  H      23 GLU  H       3.03            #peak 126
 19 LYS  HA     22 LYS  H       3.59            #peak 128
 21 CYSS H      22 LYS  H       3.05            #peak 129
  9 CYSS HB2    22 LYS  H       4.79            #peak 130
 21 CYSS HB3    22 LYS  H       3.02            #peak 131
 21 CYSS HA     22 LYS  H       3.81            #peak 132
  7 ARG  H       7 ARG  HA      3.57            #peak 133
  7 ARG  H       8 MET  H       3.44            #peak 134
  6 TYR  HA      7 ARG  H       4.43            #peak 135
  5 CYSS HA      7 ARG  H       5.50            #peak 137
  3 ASP  HA      7 ARG  H       5.50            #peak 138
  9 CYSS H       9 CYSS HA      3.74            #peak 139
  8 MET  H       9 CYSS H       3.32            #peak 140
  8 MET  HA      9 CYSS H       4.19            #peak 141
  9 CYSS H       9 CYSS HB2     3.41            #peak 142
  6 TYR  HA      9 CYSS H       4.39            #peak 143
  5 CYSS HA      9 CYSS H       5.26            #peak 144
  9 CYSS H       9 CYSS HB3     4.10            #peak 145
 19 LYS  HA     22 LYS  HG2     4.18            #peak 43
 12 TYR  HB2    18 LYS  QG      3.66            #peak 53
 18 LYS  HA     21 CYSS HB3     3.29            #peak 104
  9 CYSS HB3    18 LYS  HA      3.44            #peak 105
 12 TYR  QE     21 CYSS HB3     4.42            #peak 115
 11 ARG  HG2    12 TYR  QE      4.81            #peak 116
 11 ARG  QD     12 TYR  QE      4.00            #peak 117
  9 CYSS HA     12 TYR  QE      3.94            #peak 118
 12 TYR  QE     21 CYSS HB2     3.69            #peak 119
 11 ARG  HG3    12 TYR  QE      5.23            #peak 120
 23 GLU  QG     26 ARG  HG2     4.03            #peak 142
 27 TYR  HA     27 TYR  QD      3.73            #peak 151
 27 TYR  HB2    27 TYR  QD      3.32            #peak 152
 27 TYR  HB3    27 TYR  QD      3.46            #peak 153
 14 ASP  HB2    17 GLU  HB2     2.93            #peak 166
 14 ASP  HB3    17 GLU  HB2     3.01            #peak 169
  9 CYSS HB3    18 LYS  QG      3.67            #peak 187
  6 TYR  QB     22 LYS  HA      3.60            #peak 221
  9 CYSS HB3    19 LYS  QD      3.38            #peak 226
  9 CYSS HB3    22 LYS  QG      0.00
  9 CYSS HB3    18 LYS  QD      0.00
 12 TYR  HB3    17 GLU  HB2     3.36            #peak 228
  5 CYSS HA      8 MET  QB      3.68            #peak 301
 14 ASP  HB2    17 GLU  QG      3.15            #peak 302
 19 LYS  QE     23 GLU  QB      3.89            #peak 313
 22 LYS  HA     25 CYSS QB      3.17            #peak 372
 24 GLY  HA3    25 CYSS QB      0.00
  9 CYSS HB2    22 LYS  HA      0.00
  9 CYSS HB2    24 GLY  HA3     0.00
 12 TYR  HB2    18 LYS  QG      3.95            #peak 384
 12 TYR  QD     17 GLU  HB3     3.60            #peak 412
 12 TYR  QD     21 CYSS HB3     3.72            #peak 413
 12 TYR  QD     18 LYS  HA      3.80            #peak 414
 12 TYR  QD     17 GLU  HB2     3.74            #peak 415
  9 CYSS HB3    12 TYR  QD      3.95            #peak 416
 12 TYR  HB3    12 TYR  QD      3.10            #peak 417
 12 TYR  QD     21 CYSS HB2     3.72            #peak 418
  6 TYR  QE      9 CYSS HB2     3.77            #peak 173
  6 TYR  QE     25 CYSS QB      0.00
  6 TYR  QE     22 LYS  QB      3.76            #peak 174
  6 TYR  QE     22 LYS  QG      4.61            #peak 175
  6 TYR  QE     22 LYS  HA      4.73            #peak 176
  6 TYR  QD      9 CYSS HB2     3.84            #peak 318
  6 TYR  QD     25 CYSS QB      0.00
  6 TYR  QD     22 LYS  QE      4.20            #peak 319
  6 TYR  QD     22 LYS  QB      4.20            #peak 320
  6 TYR  QD     22 LYS  QG      4.08            #peak 321
  6 TYR  QD     22 LYS  HA      4.53            #peak 322
  6 TYR  QD      7 ARG  QG      3.96            #peak 323
  6 TYR  QB      6 TYR  QD      2.90            #peak 324
  6 TYR  QD     21 CYSS HB2     4.10            #peak 326
  6 TYR  QD     22 LYS  HE3     0.00
  6 TYR  HA      6 TYR  QD      3.39            #peak 327
  5 CYSS SG     25 CYSS SG      2.10
  5 CYSS SG     25 CYSS CB      3.10
  5 CYSS CB     25 CYSS SG      3.10
  9 CYSS SG     21 CYSS SG      2.10
  9 CYSS SG     21 CYSS CB      3.10
  9 CYSS CB     21 CYSS SG      3.10
# Restraints file 2: tkhefu.lol
  5 CYSS SG     25 CYSS SG      2.00
  5 CYSS SG     25 CYSS CB      3.00
  5 CYSS CB     25 CYSS SG      3.00
  9 CYSS SG     21 CYSS SG      2.00
  9 CYSS SG     21 CYSS CB      3.00
  9 CYSS CB     21 CYSS SG      3.00
# Restraints file 3: tkhefu.aco
   1 ALA   PSI     -85.0   195.0
   2 ASP   PHI    -315.0   -45.0
   2 ASP   PHI    -185.0    65.0
   2 ASP   PSI     -85.0   195.0
   3 ASP   PHI    -175.0   -65.0
   3 ASP   PHI     -75.0   205.0
   3 ASP   PSI    -335.0    -5.0
   3 ASP   PSI     -85.0   195.0
   4 ARG   PHI    -185.0   -55.0
   4 ARG   PHI     -65.0   185.0
   4 ARG   PSI    -325.0   -15.0
   4 ARG   PSI     -85.0   195.0
   5 CYSS  PHI    -185.0   -55.0
   5 CYSS  PHI     -65.0   195.0
   5 CYSS  PSI    -335.0   -15.0
   5 CYSS  PSI     -85.0   195.0
   6 TYR   PHI    -185.0   -55.0
   6 TYR   PHI     -65.0   185.0
   6 TYR   PSI    -325.0   -15.0
   6 TYR   PSI     -85.0   195.0
   7 ARG   PHI    -185.0   -55.0
   7 ARG   PHI     -65.0   185.0
   7 ARG   PSI    -325.0   -15.0
   7 ARG   PSI     -85.0   195.0
   8 MET   PHI    -175.0   -65.0
   8 MET   PHI     -75.0   195.0
   8 MET   PSI    -335.0    -5.0
   8 MET   PSI     -85.0   195.0
   9 CYSS  PHI    -175.0   -65.0
   9 CYSS  PHI     -75.0   195.0
   9 CYSS  PSI    -335.0    -5.0
   9 CYSS  PSI     -85.0   195.0
  10 GLN   PHI    -185.0   -55.0
  10 GLN   PHI     -75.0   195.0
  10 GLN   PSI    -335.0   -15.0
  10 GLN   PSI     -75.0   195.0
  11 ARG   PHI    -175.0   -65.0
  11 ARG   PHI     -75.0   195.0
  11 ARG   PSI    -335.0    -5.0
  11 ARG   PSI     -85.0   195.0
  12 TYR   PHI    -155.0   -85.0
  12 TYR   PHI     -95.0   215.0
  12 TYR   PSI     -85.0   195.0
  13 HIS   PHI     -95.0   -75.0
  13 HIS   PSI    -345.0     5.0
  13 HIS   PSI     -85.0   195.0
  14 ASP   PHI      45.0   285.0
  14 ASP   PHI    -165.0    55.0
  14 ASP   PHI     -85.0   205.0
  14 ASP   PSI    -335.0     5.0
  14 ASP   PSI     -85.0   195.0
  15 ARG   PHI    -185.0   -45.0
  15 ARG   PHI     -55.0   185.0
  15 ARG   PSI    -325.0   -25.0
  15 ARG   PSI     -85.0   195.0
  16 ARG   PHI    -175.0   -65.0
  16 ARG   PHI     -75.0   195.0
  16 ARG   PSI    -335.0    -5.0
  16 ARG   PSI     -85.0   195.0
  17 GLU   PHI    -185.0   -55.0
  17 GLU   PHI     -75.0   195.0
  17 GLU   PSI    -335.0   -15.0
  17 GLU   PSI     -75.0   195.0
  18 LYS   PHI    -185.0   -55.0
  18 LYS   PHI     -65.0   185.0
  18 LYS   PSI    -325.0   -15.0
  18 LYS   PSI     -85.0   195.0
  19 LYS   PHI    -185.0   -55.0
  19 LYS   PHI     -65.0   185.0
  19 LYS   PSI    -325.0   -15.0
  19 LYS   PSI     -85.0   195.0
  20 GLN   PHI    -185.0   -55.0
  20 GLN   PHI     -75.0   195.0
  20 GLN   PSI    -335.0   -15.0
  20 GLN   PSI     -85.0   195.0
  21 CYSS  PHI    -185.0   -55.0
  21 CYSS  PHI     -65.0   185.0
  21 CYSS  PSI    -325.0   -15.0
  21 CYSS  PSI     -85.0   195.0
  22 LYS   PHI    -185.0   -55.0
  22 LYS   PHI     -65.0   185.0
  22 LYS   PSI    -325.0   -15.0
  22 LYS   PSI     -85.0   195.0
  23 GLU   PHI    -185.0   -55.0
  23 GLU   PHI     -65.0   195.0
  23 GLU   PSI    -335.0   -15.0
  23 GLU   PSI     -85.0   195.0
  25 CYSS  PHI    -175.0   -65.0
  25 CYSS  PHI     -75.0   195.0
  25 CYSS  PSI    -335.0    -5.0
  25 CYSS  PSI     -85.0   195.0
  26 ARG   PHI    -175.0   -65.0
  26 ARG   PHI     -75.0   205.0
  26 ARG   PSI    -335.0    -5.0
  26 ARG   PSI     -85.0   195.0
  27 TYR   PHI      55.0   275.0
  27 TYR   PHI    -155.0    65.0
  27 TYR   PHI     -95.0   215.0
  27 TYR   PSI     -85.0   195.0
  28 GLY   PHI    -315.0   -45.0
   3 ASP   CHI1   -210.0  -150.0
   9 CYSS  CHI1    -90.0   -30.0
  12 TYR   CHI1    -90.0   -30.0
  13 HIS   CHI1    -90.0   -30.0
  17 GLU   CHI1    -90.0   -30.0
  21 CYSS  CHI1   -210.0  -150.0
  27 TYR   CHI1    -90.0   -30.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ALA   1           H        ALA   1   1.807  -0.001   0.855
    2    HA   ALA   1           HA       ALA   1   1.468  -0.419  -2.018
    3    HB1  ALA   1           HB1      ALA   1   2.167   1.590  -2.669
    4    HB2  ALA   1           HB2      ALA   1   1.930   2.118  -1.002
    5    HB3  ALA   1           HB3      ALA   1   3.518   1.566  -1.535
    6    H    ASP   2           H        ASP   2   2.994  -1.710  -2.879
    7    HA   ASP   2           HA       ASP   2   4.809  -3.064  -1.166
    8    HB2  ASP   2           HB2      ASP   2   4.406  -3.076  -4.155
    9    HB3  ASP   2           HB3      ASP   2   5.645  -4.051  -3.369
   10    H    ASP   3           H        ASP   3   5.139  -0.463  -3.506
   11    HA   ASP   3           HA       ASP   3   7.995  -0.438  -3.485
   12    HB2  ASP   3           HB2      ASP   3   6.552   0.482  -5.331
   13    HB3  ASP   3           HB3      ASP   3   6.144   1.822  -4.263
   14    H    ARG   4           H        ARG   4   5.476   1.231  -1.689
   15    HA   ARG   4           HA       ARG   4   7.037   3.207  -0.474
   16    HB2  ARG   4           HB2      ARG   4   4.530   3.059  -0.444
   17    HB3  ARG   4           HB3      ARG   4   4.675   1.793   0.768
   18    HG2  ARG   4           HG2      ARG   4   5.713   3.328   2.311
   19    HG3  ARG   4           HG3      ARG   4   5.718   4.599   1.087
   20    HD2  ARG   4           HD2      ARG   4   3.379   4.807   1.139
   21    HD3  ARG   4           HD3      ARG   4   3.178   3.269   1.979
   22    HE   ARG   4           HE       ARG   4   3.526   4.350   3.966
   23   HH11  ARG   4          HH11      ARG   4   4.569   6.400   1.353
   24   HH12  ARG   4          HH12      ARG   4   4.833   7.780   2.368
   25   HH21  ARG   4          HH21      ARG   4   3.869   6.160   5.312
   26   HH22  ARG   4          HH22      ARG   4   4.435   7.642   4.620
   27    H    CYS   5           H        CYS   5   6.027   0.063   0.882
   28    HA   CYS   5           HA       CYS   5   7.675   0.241   3.167
   29    HB2  CYS   5           HB2      CYS   5   7.239  -2.207   3.383
   30    HB3  CYS   5           HB3      CYS   5   5.778  -1.250   3.163
   31    H    TYR   6           H        TYR   6   8.185  -1.080  -0.048
   32    HA   TYR   6           HA       TYR   6  10.585  -2.461   0.492
   33    HB2  TYR   6           HB2      TYR   6   9.423  -2.985  -1.522
   34    HB3  TYR   6           HB3      TYR   6   9.436  -1.305  -2.048
   35    HD1  TYR   6           HD1      TYR   6  12.030  -3.758  -0.915
   36    HD2  TYR   6           HD2      TYR   6  10.802  -0.943  -3.860
   37    HE1  TYR   6           HE1      TYR   6  14.105  -4.172  -2.168
   38    HE2  TYR   6           HE2      TYR   6  12.874  -1.351  -5.122
   39    HH   TYR   6           HH       TYR   6  14.721  -2.584  -5.280
   40    H    ARG   7           H        ARG   7   9.889   0.874  -0.364
   41    HA   ARG   7           HA       ARG   7  12.423   1.763  -1.056
   42    HB2  ARG   7           HB2      ARG   7   9.947   2.995  -0.050
   43    HB3  ARG   7           HB3      ARG   7  11.409   3.912   0.290
   44    HG2  ARG   7           HG2      ARG   7  11.919   4.144  -1.996
   45    HG3  ARG   7           HG3      ARG   7  10.745   2.911  -2.460
   46    HD2  ARG   7           HD2      ARG   7   9.516   4.759  -2.952
   47    HD3  ARG   7           HD3      ARG   7   9.085   4.598  -1.250
   48    HE   ARG   7           HE       ARG   7  10.207   6.545  -0.819
   49   HH11  ARG   7          HH11      ARG   7  11.146   5.358  -3.954
   50   HH12  ARG   7          HH12      ARG   7  12.046   6.779  -4.367
   51   HH21  ARG   7          HH21      ARG   7  11.389   8.421  -1.351
   52   HH22  ARG   7          HH22      ARG   7  12.185   8.521  -2.885
   53    H    MET   8           H        MET   8  11.033   1.174   2.115
   54    HA   MET   8           HA       MET   8  13.068   2.429   3.630
   55    HB2  MET   8           HB2      MET   8  10.775   1.773   4.454
   56    HB3  MET   8           HB3      MET   8  11.343   0.110   4.506
   57    HG2  MET   8           HG2      MET   8  13.201   0.969   6.021
   58    HG3  MET   8           HG3      MET   8  12.244   2.442   6.157
   59    HE1  MET   8           HE1      MET   8   8.884   1.018   7.607
   60    HE2  MET   8           HE2      MET   8   9.818   2.513   7.604
   61    HE3  MET   8           HE3      MET   8   9.449   1.701   6.082
   62    H    CYS   9           H        CYS   9  12.727  -0.760   2.228
   63    HA   CYS   9           HA       CYS   9  14.791  -2.046   3.660
   64    HB2  CYS   9           HB2      CYS   9  13.934  -2.669   0.831
   65    HB3  CYS   9           HB3      CYS   9  14.666  -3.768   1.994
   66    H    GLN  10           H        GLN  10  14.777  -0.057   0.767
   67    HA   GLN  10           HA       GLN  10  17.309  -0.600  -0.232
   68    HB2  GLN  10           HB2      GLN  10  15.425   1.679  -0.382
   69    HB3  GLN  10           HB3      GLN  10  17.099   2.031  -0.790
   70    HG2  GLN  10           HG2      GLN  10  16.321   1.464  -2.843
   71    HG3  GLN  10           HG3      GLN  10  16.829  -0.126  -2.277
   72   HE21  GLN  10          HE21      GLN  10  14.355   1.607  -3.637
   73   HE22  GLN  10          HE22      GLN  10  13.052   0.513  -3.335
   74    H    ARG  11           H        ARG  11  16.371   1.150   2.600
   75    HA   ARG  11           HA       ARG  11  18.683   2.714   2.972
   76    HB2  ARG  11           HB2      ARG  11  16.704   3.196   4.246
   77    HB3  ARG  11           HB3      ARG  11  16.700   1.583   4.947
   78    HG2  ARG  11           HG2      ARG  11  18.522   2.051   6.330
   79    HG3  ARG  11           HG3      ARG  11  18.980   3.475   5.393
   80    HD2  ARG  11           HD2      ARG  11  16.665   4.387   6.096
   81    HD3  ARG  11           HD3      ARG  11  16.722   3.131   7.332
   82    HE   ARG  11           HE       ARG  11  19.121   4.551   7.438
   83   HH11  ARG  11          HH11      ARG  11  15.726   5.073   8.005
   84   HH12  ARG  11          HH12      ARG  11  15.981   6.296   9.205
   85   HH21  ARG  11          HH21      ARG  11  19.470   6.159   9.017
   86   HH22  ARG  11          HH22      ARG  11  18.111   6.914   9.780
   87    H    TYR  12           H        TYR  12  18.055  -0.653   3.441
   88    HA   TYR  12           HA       TYR  12  20.334  -1.078   5.169
   89    HB2  TYR  12           HB2      TYR  12  18.716  -3.188   3.742
   90    HB3  TYR  12           HB3      TYR  12  19.697  -3.379   5.190
   91    HD1  TYR  12           HD1      TYR  12  16.606  -3.886   4.518
   92    HD2  TYR  12           HD2      TYR  12  18.775  -0.940   6.691
   93    HE1  TYR  12           HE1      TYR  12  14.624  -3.463   5.910
   94    HE2  TYR  12           HE2      TYR  12  16.798  -0.510   8.090
   95    HH   TYR  12           HH       TYR  12  14.740  -1.716   8.790
   96    H    HIS  13           H        HIS  13  22.347  -1.474   4.531
   97    HA   HIS  13           HA       HIS  13  23.014  -1.490   1.747
   98    HB2  HIS  13           HB2      HIS  13  24.695  -1.848   4.233
   99    HB3  HIS  13           HB3      HIS  13  25.361  -1.792   2.604
  100    HD1  HIS  13           HD1      HIS  13  22.993   0.432   4.604
  101    HD2  HIS  13           HD2      HIS  13  26.275   0.682   2.069
  102    HE1  HIS  13           HE1      HIS  13  23.504   2.886   4.408
  103    H    ASP  14           H        ASP  14  22.572  -3.895   4.213
  104    HA   ASP  14           HA       ASP  14  23.945  -6.004   2.856
  105    HB2  ASP  14           HB2      ASP  14  22.610  -5.640   5.369
  106    HB3  ASP  14           HB3      ASP  14  21.995  -7.098   4.595
  107    H    ARG  15           H        ARG  15  23.270  -6.679   0.925
  108    HA   ARG  15           HA       ARG  15  20.777  -6.367  -0.209
  109    HB2  ARG  15           HB2      ARG  15  22.978  -7.145  -1.284
  110    HB3  ARG  15           HB3      ARG  15  22.503  -8.764  -0.787
  111    HG2  ARG  15           HG2      ARG  15  20.651  -8.784  -2.212
  112    HG3  ARG  15           HG3      ARG  15  20.689  -7.033  -2.427
  113    HD2  ARG  15           HD2      ARG  15  22.963  -8.776  -3.319
  114    HD3  ARG  15           HD3      ARG  15  21.551  -8.511  -4.342
  115    HE   ARG  15           HE       ARG  15  22.336  -6.003  -3.647
  116   HH11  ARG  15          HH11      ARG  15  23.930  -8.737  -5.097
  117   HH12  ARG  15          HH12      ARG  15  25.033  -7.770  -6.020
  118   HH21  ARG  15          HH21      ARG  15  23.783  -4.719  -4.857
  119   HH22  ARG  15          HH22      ARG  15  24.949  -5.485  -5.881
  120    H    ARG  16           H        ARG  16  21.947  -8.941   1.880
  121    HA   ARG  16           HA       ARG  16  19.793 -10.725   1.521
  122    HB2  ARG  16           HB2      ARG  16  22.039 -11.215   2.597
  123    HB3  ARG  16           HB3      ARG  16  21.422 -10.424   4.041
  124    HG2  ARG  16           HG2      ARG  16  21.129 -12.746   4.353
  125    HG3  ARG  16           HG3      ARG  16  19.531 -12.076   4.014
  126    HD2  ARG  16           HD2      ARG  16  19.689 -14.052   2.733
  127    HD3  ARG  16           HD3      ARG  16  19.921 -12.721   1.599
  128    HE   ARG  16           HE       ARG  16  22.434 -13.530   2.503
  129   HH11  ARG  16          HH11      ARG  16  19.785 -14.779   0.620
  130   HH12  ARG  16          HH12      ARG  16  20.787 -15.807  -0.349
  131   HH21  ARG  16          HH21      ARG  16  23.764 -14.880   1.233
  132   HH22  ARG  16          HH22      ARG  16  23.051 -15.864   0.001
  133    H    GLU  17           H        GLU  17  20.291  -7.990   3.677
  134    HA   GLU  17           HA       GLU  17  17.991  -8.463   5.286
  135    HB2  GLU  17           HB2      GLU  17  19.734  -6.046   4.843
  136    HB3  GLU  17           HB3      GLU  17  18.336  -6.008   5.908
  137    HG2  GLU  17           HG2      GLU  17  20.572  -7.987   6.222
  138    HG3  GLU  17           HG3      GLU  17  20.563  -6.408   7.006
  139    H    LYS  18           H        LYS  18  18.604  -6.681   2.330
  140    HA   LYS  18           HA       LYS  18  16.190  -5.219   2.255
  141    HB2  LYS  18           HB2      LYS  18  18.080  -6.115   0.081
  142    HB3  LYS  18           HB3      LYS  18  16.675  -5.106  -0.234
  143    HG2  LYS  18           HG2      LYS  18  17.865  -3.737   1.785
  144    HG3  LYS  18           HG3      LYS  18  19.263  -4.422   0.953
  145    HD2  LYS  18           HD2      LYS  18  17.056  -2.890  -0.419
  146    HD3  LYS  18           HD3      LYS  18  18.575  -2.171   0.121
  147    HE2  LYS  18           HE2      LYS  18  18.408  -4.502  -1.781
  148    HE3  LYS  18           HE3      LYS  18  18.501  -2.820  -2.303
  149    HZ1  LYS  18           HZ1      LYS  18  20.521  -3.690  -0.401
  150    HZ2  LYS  18           HZ2      LYS  18  20.665  -2.672  -1.743
  151    HZ3  LYS  18           HZ3      LYS  18  20.634  -4.350  -1.955
  152    H    LYS  19           H        LYS  19  17.084  -8.421   1.077
  153    HA   LYS  19           HA       LYS  19  14.771  -8.969  -0.408
  154    HB2  LYS  19           HB2      LYS  19  16.877 -10.312  -0.445
  155    HB3  LYS  19           HB3      LYS  19  16.452 -10.952   1.137
  156    HG2  LYS  19           HG2      LYS  19  14.500 -11.217  -1.096
  157    HG3  LYS  19           HG3      LYS  19  15.906 -12.284  -1.047
  158    HD2  LYS  19           HD2      LYS  19  15.200 -12.684   1.417
  159    HD3  LYS  19           HD3      LYS  19  13.640 -12.044   0.897
  160    HE2  LYS  19           HE2      LYS  19  13.444 -13.761  -0.781
  161    HE3  LYS  19           HE3      LYS  19  15.069 -14.345  -0.428
  162    HZ1  LYS  19           HZ1      LYS  19  12.588 -14.787   1.013
  163    HZ2  LYS  19           HZ2      LYS  19  13.952 -14.521   1.976
  164    HZ3  LYS  19           HZ3      LYS  19  13.943 -15.788   0.855
  165    H    GLN  20           H        GLN  20  15.563 -10.005   2.916
  166    HA   GLN  20           HA       GLN  20  13.115 -11.149   3.540
  167    HB2  GLN  20           HB2      GLN  20  14.992 -11.480   4.992
  168    HB3  GLN  20           HB3      GLN  20  15.129  -9.754   5.303
  169    HG2  GLN  20           HG2      GLN  20  13.249  -9.726   6.675
  170    HG3  GLN  20           HG3      GLN  20  12.659 -11.267   6.054
  171   HE21  GLN  20          HE21      GLN  20  13.710  -9.979   8.737
  172   HE22  GLN  20          HE22      GLN  20  14.612 -11.282   9.424
  173    H    CYS  21           H        CYS  21  14.176  -7.788   3.920
  174    HA   CYS  21           HA       CYS  21  11.829  -6.854   5.179
  175    HB2  CYS  21           HB2      CYS  21  13.797  -5.514   5.331
  176    HB3  CYS  21           HB3      CYS  21  13.970  -5.451   3.580
  177    H    LYS  22           H        LYS  22  12.789  -7.093   1.792
  178    HA   LYS  22           HA       LYS  22  10.600  -5.677   0.709
  179    HB2  LYS  22           HB2      LYS  22  12.473  -5.997  -0.701
  180    HB3  LYS  22           HB3      LYS  22  12.484  -7.734  -0.425
  181    HG2  LYS  22           HG2      LYS  22  11.676  -7.210  -2.651
  182    HG3  LYS  22           HG3      LYS  22  10.404  -7.955  -1.680
  183    HD2  LYS  22           HD2      LYS  22   9.093  -6.155  -1.857
  184    HD3  LYS  22           HD3      LYS  22  10.414  -5.062  -1.439
  185    HE2  LYS  22           HE2      LYS  22  10.850  -4.575  -3.589
  186    HE3  LYS  22           HE3      LYS  22  10.613  -6.241  -4.116
  187    HZ1  LYS  22           HZ1      LYS  22   8.551  -5.790  -4.760
  188    HZ2  LYS  22           HZ2      LYS  22   8.914  -4.151  -4.559
  189    HZ3  LYS  22           HZ3      LYS  22   8.166  -5.011  -3.309
  190    H    GLU  23           H        GLU  23  11.156  -9.189   0.444
  191    HA   GLU  23           HA       GLU  23   8.555  -9.864  -0.253
  192    HB2  GLU  23           HB2      GLU  23  10.587 -11.344  -0.382
  193    HB3  GLU  23           HB3      GLU  23  10.432 -11.604   1.350
  194    HG2  GLU  23           HG2      GLU  23   8.372 -12.727   1.096
  195    HG3  GLU  23           HG3      GLU  23   8.221 -12.218  -0.585
  196    H    GLY  24           H        GLY  24  10.028  -9.556   2.945
  197    HA2  GLY  24           HA2      GLY  24   8.026 -10.642   4.522
  198    HA3  GLY  24           HA3      GLY  24   9.077  -9.326   5.022
  199    H    CYS  25           H        CYS  25   8.132  -7.512   2.941
  200    HA   CYS  25           HA       CYS  25   6.010  -6.306   4.358
  201    HB2  CYS  25           HB2      CYS  25   7.492  -4.928   3.065
  202    HB3  CYS  25           HB3      CYS  25   7.110  -5.808   1.589
  203    H    ARG  26           H        ARG  26   6.085  -8.077   1.278
  204    HA   ARG  26           HA       ARG  26   3.254  -7.896   0.893
  205    HB2  ARG  26           HB2      ARG  26   3.602  -9.355  -1.008
  206    HB3  ARG  26           HB3      ARG  26   4.853  -8.119  -0.983
  207    HG2  ARG  26           HG2      ARG  26   6.494  -9.640  -0.273
  208    HG3  ARG  26           HG3      ARG  26   5.291 -10.851   0.175
  209    HD2  ARG  26           HD2      ARG  26   5.616  -9.895  -2.653
  210    HD3  ARG  26           HD3      ARG  26   6.584 -11.215  -1.998
  211    HE   ARG  26           HE       ARG  26   3.822 -11.310  -2.763
  212   HH11  ARG  26          HH11      ARG  26   6.255 -12.711  -0.704
  213   HH12  ARG  26          HH12      ARG  26   5.441 -14.233  -0.559
  214   HH21  ARG  26          HH21      ARG  26   2.741 -13.310  -2.580
  215   HH22  ARG  26          HH22      ARG  26   3.443 -14.574  -1.627
  216    H    TYR  27           H        TYR  27   1.690  -9.454   1.203
  217    HA   TYR  27           HA       TYR  27   0.619 -11.134   2.301
  218    HB2  TYR  27           HB2      TYR  27   3.178 -12.439   1.431
  219    HB3  TYR  27           HB3      TYR  27   2.018 -13.333   2.407
  220    HD1  TYR  27           HD1      TYR  27   1.772 -11.011  -0.520
  221    HD2  TYR  27           HD2      TYR  27   0.750 -14.786   1.155
  222    HE1  TYR  27           HE1      TYR  27   0.496 -11.559  -2.550
  223    HE2  TYR  27           HE2      TYR  27  -0.528 -15.346  -0.870
  224    HH   TYR  27           HH       TYR  27  -1.743 -13.846  -2.751
  225    H    GLY  28           H        GLY  28   1.728  -9.262   3.988
  226    HA2  GLY  28           HA2      GLY  28   2.960 -10.815   6.161
  227    HA3  GLY  28           HA3      GLY  28   2.966  -9.063   6.028
  Start of MODEL    2
    1    H    ALA   1           H        ALA   1   0.496   0.636  -2.183
    2    HA   ALA   1           HA       ALA   1   1.735   0.720   0.263
    3    HB1  ALA   1           HB1      ALA   1  -0.205  -0.260   0.723
    4    HB2  ALA   1           HB2      ALA   1  -0.390  -0.815  -0.941
    5    HB3  ALA   1           HB3      ALA   1   0.522  -1.785   0.215
    6    H    ASP   2           H        ASP   2   1.802  -2.166  -1.837
    7    HA   ASP   2           HA       ASP   2   3.774  -3.546  -0.467
    8    HB2  ASP   2           HB2      ASP   2   4.216  -4.630  -2.766
    9    HB3  ASP   2           HB3      ASP   2   2.600  -4.779  -2.080
   10    H    ASP   3           H        ASP   3   4.149  -1.349  -3.237
   11    HA   ASP   3           HA       ASP   3   6.973  -1.557  -3.352
   12    HB2  ASP   3           HB2      ASP   3   5.558  -0.779  -5.241
   13    HB3  ASP   3           HB3      ASP   3   5.219   0.699  -4.345
   14    H    ARG   4           H        ARG   4   4.768   0.600  -1.664
   15    HA   ARG   4           HA       ARG   4   6.559   2.574  -0.860
   16    HB2  ARG   4           HB2      ARG   4   4.080   1.470   0.455
   17    HB3  ARG   4           HB3      ARG   4   4.976   2.828   1.123
   18    HG2  ARG   4           HG2      ARG   4   4.034   2.892  -1.712
   19    HG3  ARG   4           HG3      ARG   4   2.931   3.275  -0.388
   20    HD2  ARG   4           HD2      ARG   4   5.612   4.602  -0.706
   21    HD3  ARG   4           HD3      ARG   4   4.148   5.227  -1.465
   22    HE   ARG   4           HE       ARG   4   3.531   4.899   1.198
   23   HH11  ARG   4          HH11      ARG   4   5.855   6.709  -0.657
   24   HH12  ARG   4          HH12      ARG   4   5.956   8.005   0.489
   25   HH21  ARG   4          HH21      ARG   4   3.655   6.598   2.715
   26   HH22  ARG   4          HH22      ARG   4   4.704   7.940   2.407
   27    H    CYS   5           H        CYS   5   5.743  -0.513   0.683
   28    HA   CYS   5           HA       CYS   5   7.323  -0.169   2.987
   29    HB2  CYS   5           HB2      CYS   5   5.504  -1.936   2.489
   30    HB3  CYS   5           HB3      CYS   5   6.800  -2.850   1.725
   31    H    TYR   6           H        TYR   6   8.036  -1.582  -0.175
   32    HA   TYR   6           HA       TYR   6  10.539  -2.655   0.351
   33    HB2  TYR   6           HB2      TYR   6   9.506  -3.126  -1.745
   34    HB3  TYR   6           HB3      TYR   6   9.405  -1.418  -2.157
   35    HD1  TYR   6           HD1      TYR   6  10.765  -0.922  -3.948
   36    HD2  TYR   6           HD2      TYR   6  12.185  -3.640  -0.998
   37    HE1  TYR   6           HE1      TYR   6  12.914  -1.077  -5.134
   38    HE2  TYR   6           HE2      TYR   6  14.338  -3.802  -2.175
   39    HH   TYR   6           HH       TYR   6  14.916  -2.032  -5.202
   40    H    ARG   7           H        ARG   7   9.598   0.665  -0.287
   41    HA   ARG   7           HA       ARG   7  12.070   1.809  -0.813
   42    HB2  ARG   7           HB2      ARG   7   9.777   3.009   0.753
   43    HB3  ARG   7           HB3      ARG   7  11.101   3.909   0.025
   44    HG2  ARG   7           HG2      ARG   7   9.410   2.149  -1.687
   45    HG3  ARG   7           HG3      ARG   7   8.805   3.730  -1.186
   46    HD2  ARG   7           HD2      ARG   7  11.452   3.273  -2.554
   47    HD3  ARG   7           HD3      ARG   7   9.969   3.730  -3.390
   48    HE   ARG   7           HE       ARG   7  10.255   5.635  -1.470
   49   HH11  ARG   7          HH11      ARG   7  12.300   4.406  -4.006
   50   HH12  ARG   7          HH12      ARG   7  13.132   5.908  -4.240
   51   HH21  ARG   7          HH21      ARG   7  11.343   7.617  -1.769
   52   HH22  ARG   7          HH22      ARG   7  12.588   7.733  -2.967
   53    H    MET   8           H        MET   8  10.612   0.908   2.260
   54    HA   MET   8           HA       MET   8  12.477   2.191   3.943
   55    HB2  MET   8           HB2      MET   8  10.795  -0.270   4.444
   56    HB3  MET   8           HB3      MET   8  11.655   0.633   5.684
   57    HG2  MET   8           HG2      MET   8   9.501   1.785   3.929
   58    HG3  MET   8           HG3      MET   8   9.236   1.143   5.548
   59    HE1  MET   8           HE1      MET   8  10.042   3.992   3.377
   60    HE2  MET   8           HE2      MET   8   8.662   4.350   4.415
   61    HE3  MET   8           HE3      MET   8  10.126   5.329   4.524
   62    H    CYS   9           H        CYS   9  12.497  -0.884   2.275
   63    HA   CYS   9           HA       CYS   9  14.614  -2.098   3.687
   64    HB2  CYS   9           HB2      CYS   9  13.925  -2.531   0.777
   65    HB3  CYS   9           HB3      CYS   9  14.732  -3.658   1.862
   66    H    GLN  10           H        GLN  10  14.531   0.311   1.189
   67    HA   GLN  10           HA       GLN  10  17.062   0.085   0.084
   68    HB2  GLN  10           HB2      GLN  10  15.256   1.651  -0.659
   69    HB3  GLN  10           HB3      GLN  10  15.645   2.678   0.714
   70    HG2  GLN  10           HG2      GLN  10  16.730   3.616  -1.152
   71    HG3  GLN  10           HG3      GLN  10  17.982   2.826  -0.194
   72   HE21  GLN  10          HE21      GLN  10  19.320   1.524  -1.224
   73   HE22  GLN  10          HE22      GLN  10  19.058   0.826  -2.783
   74    H    ARG  11           H        ARG  11  16.108   1.207   3.224
   75    HA   ARG  11           HA       ARG  11  18.401   2.701   3.889
   76    HB2  ARG  11           HB2      ARG  11  17.632   2.641   6.116
   77    HB3  ARG  11           HB3      ARG  11  16.176   2.594   5.132
   78    HG2  ARG  11           HG2      ARG  11  16.357   0.032   5.396
   79    HG3  ARG  11           HG3      ARG  11  17.435   0.413   6.740
   80    HD2  ARG  11           HD2      ARG  11  14.718   1.665   6.498
   81    HD3  ARG  11           HD3      ARG  11  14.940   0.083   7.244
   82    HE   ARG  11           HE       ARG  11  16.729   1.911   8.407
   83   HH11  ARG  11          HH11      ARG  11  13.324   1.198   8.272
   84   HH12  ARG  11          HH12      ARG  11  12.992   1.851   9.841
   85   HH21  ARG  11          HH21      ARG  11  16.304   2.775  10.475
   86   HH22  ARG  11          HH22      ARG  11  14.687   2.749  11.093
   87    H    TYR  12           H        TYR  12  17.803  -0.706   3.724
   88    HA   TYR  12           HA       TYR  12  20.115  -1.418   5.310
   89    HB2  TYR  12           HB2      TYR  12  18.165  -3.047   3.680
   90    HB3  TYR  12           HB3      TYR  12  19.535  -3.754   4.529
   91    HD1  TYR  12           HD1      TYR  12  19.680  -3.270   7.078
   92    HD2  TYR  12           HD2      TYR  12  16.131  -2.804   4.778
   93    HE1  TYR  12           HE1      TYR  12  18.336  -3.418   9.133
   94    HE2  TYR  12           HE2      TYR  12  14.777  -2.950   6.826
   95    HH   TYR  12           HH       TYR  12  14.798  -3.411   9.018
   96    H    HIS  13           H        HIS  13  22.094  -1.971   4.584
   97    HA   HIS  13           HA       HIS  13  22.649  -1.514   1.756
   98    HB2  HIS  13           HB2      HIS  13  24.316  -1.590   4.245
   99    HB3  HIS  13           HB3      HIS  13  25.086  -1.819   2.677
  100    HD1  HIS  13           HD1      HIS  13  24.826   0.729   4.930
  101    HD2  HIS  13           HD2      HIS  13  23.774   0.497   0.917
  102    HE1  HIS  13           HE1      HIS  13  24.771   3.106   4.111
  103    H    ASP  14           H        ASP  14  22.641  -4.061   4.136
  104    HA   ASP  14           HA       ASP  14  24.127  -5.940   2.575
  105    HB2  ASP  14           HB2      ASP  14  23.020  -5.824   5.203
  106    HB3  ASP  14           HB3      ASP  14  22.435  -7.291   4.423
  107    H    ARG  15           H        ARG  15  23.419  -6.836   0.764
  108    HA   ARG  15           HA       ARG  15  20.872  -6.675  -0.283
  109    HB2  ARG  15           HB2      ARG  15  21.575  -8.688  -1.684
  110    HB3  ARG  15           HB3      ARG  15  22.606  -7.266  -1.764
  111    HG2  ARG  15           HG2      ARG  15  23.393  -9.154   0.314
  112    HG3  ARG  15           HG3      ARG  15  23.450  -9.825  -1.317
  113    HD2  ARG  15           HD2      ARG  15  25.200  -8.550  -1.909
  114    HD3  ARG  15           HD3      ARG  15  24.560  -7.126  -1.090
  115    HE   ARG  15           HE       ARG  15  25.841  -7.643   0.735
  116   HH11  ARG  15          HH11      ARG  15  25.661 -10.419  -1.357
  117   HH12  ARG  15          HH12      ARG  15  26.839 -11.328  -0.469
  118   HH21  ARG  15          HH21      ARG  15  27.393  -8.829   1.913
  119   HH22  ARG  15          HH22      ARG  15  27.823 -10.422   1.392
  120    H    ARG  16           H        ARG  16  22.223  -9.079   1.888
  121    HA   ARG  16           HA       ARG  16  20.161 -10.990   1.679
  122    HB2  ARG  16           HB2      ARG  16  22.377 -11.444   2.686
  123    HB3  ARG  16           HB3      ARG  16  21.951 -10.412   4.045
  124    HG2  ARG  16           HG2      ARG  16  21.674 -12.736   4.637
  125    HG3  ARG  16           HG3      ARG  16  20.105 -11.928   4.602
  126    HD2  ARG  16           HD2      ARG  16  19.992 -14.131   3.554
  127    HD3  ARG  16           HD3      ARG  16  19.669 -12.849   2.387
  128    HE   ARG  16           HE       ARG  16  21.574 -13.441   1.252
  129   HH11  ARG  16          HH11      ARG  16  21.563 -14.971   4.379
  130   HH12  ARG  16          HH12      ARG  16  22.925 -15.984   4.033
  131   HH21  ARG  16          HH21      ARG  16  23.368 -14.770   0.784
  132   HH22  ARG  16          HH22      ARG  16  23.951 -15.869   1.988
  133    H    GLU  17           H        GLU  17  20.587  -8.162   3.745
  134    HA   GLU  17           HA       GLU  17  18.257  -8.680   5.326
  135    HB2  GLU  17           HB2      GLU  17  20.141  -6.366   5.029
  136    HB3  GLU  17           HB3      GLU  17  18.634  -6.164   5.911
  137    HG2  GLU  17           HG2      GLU  17  19.395  -8.251   7.226
  138    HG3  GLU  17           HG3      GLU  17  20.989  -7.879   6.571
  139    H    LYS  18           H        LYS  18  18.979  -6.793   2.455
  140    HA   LYS  18           HA       LYS  18  16.569  -5.325   2.355
  141    HB2  LYS  18           HB2      LYS  18  18.781  -5.010   1.027
  142    HB3  LYS  18           HB3      LYS  18  18.080  -6.161  -0.103
  143    HG2  LYS  18           HG2      LYS  18  16.724  -4.630  -0.981
  144    HG3  LYS  18           HG3      LYS  18  16.242  -4.023   0.605
  145    HD2  LYS  18           HD2      LYS  18  17.623  -2.280   0.441
  146    HD3  LYS  18           HD3      LYS  18  18.979  -3.317  -0.008
  147    HE2  LYS  18           HE2      LYS  18  18.471  -1.663  -1.748
  148    HE3  LYS  18           HE3      LYS  18  18.244  -3.314  -2.322
  149    HZ1  LYS  18           HZ1      LYS  18  16.384  -1.212  -2.270
  150    HZ2  LYS  18           HZ2      LYS  18  15.816  -2.447  -1.265
  151    HZ3  LYS  18           HZ3      LYS  18  16.187  -2.777  -2.882
  152    H    LYS  19           H        LYS  19  17.549  -8.375   0.818
  153    HA   LYS  19           HA       LYS  19  15.255  -8.868  -0.663
  154    HB2  LYS  19           HB2      LYS  19  17.546 -10.176  -0.411
  155    HB3  LYS  19           HB3      LYS  19  16.604 -11.149   0.711
  156    HG2  LYS  19           HG2      LYS  19  15.264 -10.663  -1.838
  157    HG3  LYS  19           HG3      LYS  19  16.779 -11.559  -1.978
  158    HD2  LYS  19           HD2      LYS  19  15.380 -13.310  -1.590
  159    HD3  LYS  19           HD3      LYS  19  15.725 -12.874   0.085
  160    HE2  LYS  19           HE2      LYS  19  13.629 -12.135   0.455
  161    HE3  LYS  19           HE3      LYS  19  13.490 -11.417  -1.149
  162    HZ1  LYS  19           HZ1      LYS  19  12.257 -13.137  -1.746
  163    HZ2  LYS  19           HZ2      LYS  19  12.455 -13.863  -0.231
  164    HZ3  LYS  19           HZ3      LYS  19  13.559 -14.182  -1.471
  165    H    GLN  20           H        GLN  20  15.998 -10.016   2.630
  166    HA   GLN  20           HA       GLN  20  13.597 -11.307   3.142
  167    HB2  GLN  20           HB2      GLN  20  15.675 -11.344   4.565
  168    HB3  GLN  20           HB3      GLN  20  15.201  -9.768   5.185
  169    HG2  GLN  20           HG2      GLN  20  14.435 -11.243   6.796
  170    HG3  GLN  20           HG3      GLN  20  12.998 -10.901   5.833
  171   HE21  GLN  20          HE21      GLN  20  15.606 -13.225   6.294
  172   HE22  GLN  20          HE22      GLN  20  14.717 -14.605   5.754
  173    H    CYS  21           H        CYS  21  14.461  -7.907   3.632
  174    HA   CYS  21           HA       CYS  21  12.033  -7.134   4.849
  175    HB2  CYS  21           HB2      CYS  21  13.941  -5.706   5.081
  176    HB3  CYS  21           HB3      CYS  21  14.122  -5.563   3.335
  177    H    LYS  22           H        LYS  22  13.117  -7.150   1.482
  178    HA   LYS  22           HA       LYS  22  10.978  -5.811   0.314
  179    HB2  LYS  22           HB2      LYS  22  12.928  -6.316  -0.987
  180    HB3  LYS  22           HB3      LYS  22  12.714  -8.044  -0.743
  181    HG2  LYS  22           HG2      LYS  22  12.043  -7.477  -2.971
  182    HG3  LYS  22           HG3      LYS  22  10.613  -7.928  -2.040
  183    HD2  LYS  22           HD2      LYS  22  10.465  -5.353  -1.588
  184    HD3  LYS  22           HD3      LYS  22  11.465  -5.245  -3.039
  185    HE2  LYS  22           HE2      LYS  22   8.947  -6.875  -2.994
  186    HE3  LYS  22           HE3      LYS  22   8.907  -5.140  -3.300
  187    HZ1  LYS  22           HZ1      LYS  22   9.277  -5.677  -5.411
  188    HZ2  LYS  22           HZ2      LYS  22   9.689  -7.274  -5.038
  189    HZ3  LYS  22           HZ3      LYS  22  10.862  -6.057  -4.959
  190    H    GLU  23           H        GLU  23  11.391  -9.357   0.318
  191    HA   GLU  23           HA       GLU  23   8.742  -9.916  -0.420
  192    HB2  GLU  23           HB2      GLU  23  10.843 -11.439  -0.432
  193    HB3  GLU  23           HB3      GLU  23  10.393 -11.808   1.226
  194    HG2  GLU  23           HG2      GLU  23   8.040 -12.249   0.068
  195    HG3  GLU  23           HG3      GLU  23   9.086 -12.574  -1.313
  196    H    GLY  24           H        GLY  24  10.300  -9.832   2.769
  197    HA2  GLY  24           HA2      GLY  24   8.223 -10.737   4.349
  198    HA3  GLY  24           HA3      GLY  24   9.405  -9.545   4.866
  199    H    CYS  25           H        CYS  25   8.633  -7.569   2.885
  200    HA   CYS  25           HA       CYS  25   6.626  -6.236   4.360
  201    HB2  CYS  25           HB2      CYS  25   8.094  -5.725   1.815
  202    HB3  CYS  25           HB3      CYS  25   6.628  -4.799   2.122
  203    H    ARG  26           H        ARG  26   6.562  -8.138   1.401
  204    HA   ARG  26           HA       ARG  26   3.915  -7.505   0.636
  205    HB2  ARG  26           HB2      ARG  26   5.383 -10.075   0.040
  206    HB3  ARG  26           HB3      ARG  26   4.078  -9.349  -0.889
  207    HG2  ARG  26           HG2      ARG  26   6.845  -8.211  -0.547
  208    HG3  ARG  26           HG3      ARG  26   6.226  -9.033  -1.980
  209    HD2  ARG  26           HD2      ARG  26   4.341  -7.084  -1.517
  210    HD3  ARG  26           HD3      ARG  26   5.853  -6.284  -1.088
  211    HE   ARG  26           HE       ARG  26   6.387  -6.223  -3.304
  212   HH11  ARG  26          HH11      ARG  26   3.939  -8.649  -2.815
  213   HH12  ARG  26          HH12      ARG  26   3.734  -8.970  -4.505
  214   HH21  ARG  26          HH21      ARG  26   6.127  -6.636  -5.532
  215   HH22  ARG  26          HH22      ARG  26   4.980  -7.825  -6.050
  216    H    TYR  27           H        TYR  27   1.981  -8.371   1.175
  217    HA   TYR  27           HA       TYR  27   0.407  -9.500   2.366
  218    HB2  TYR  27           HB2      TYR  27   2.477 -11.683   2.644
  219    HB3  TYR  27           HB3      TYR  27   0.729 -11.853   2.750
  220    HD1  TYR  27           HD1      TYR  27   3.227 -12.833   0.787
  221    HD2  TYR  27           HD2      TYR  27  -0.291 -10.464   0.450
  222    HE1  TYR  27           HE1      TYR  27   3.136 -13.322  -1.622
  223    HE2  TYR  27           HE2      TYR  27  -0.394 -10.948  -1.959
  224    HH   TYR  27           HH       TYR  27   0.452 -12.178  -3.628
  225    H    GLY  28           H        GLY  28   2.021  -7.658   3.761
  226    HA2  GLY  28           HA2      GLY  28   2.905  -8.773   6.247
  227    HA3  GLY  28           HA3      GLY  28   2.720  -7.065   5.879
  Start of MODEL    3
    1    H    ALA   1           H        ALA   1   4.649   6.151  -5.827
    2    HA   ALA   1           HA       ALA   1   6.878   5.016  -7.261
    3    HB1  ALA   1           HB1      ALA   1   7.557   4.339  -4.870
    4    HB2  ALA   1           HB2      ALA   1   7.527   6.054  -5.283
    5    HB3  ALA   1           HB3      ALA   1   6.200   5.345  -4.362
    6    H    ASP   2           H        ASP   2   7.673   2.788  -6.393
    7    HA   ASP   2           HA       ASP   2   5.789   0.848  -7.251
    8    HB2  ASP   2           HB2      ASP   2   8.559   0.740  -6.109
    9    HB3  ASP   2           HB3      ASP   2   7.623  -0.744  -6.271
   10    H    ASP   3           H        ASP   3   7.427   1.138  -4.093
   11    HA   ASP   3           HA       ASP   3   4.956   0.650  -2.687
   12    HB2  ASP   3           HB2      ASP   3   5.922  -1.630  -3.423
   13    HB3  ASP   3           HB3      ASP   3   7.164  -1.337  -2.209
   14    H    ARG   4           H        ARG   4   4.999   1.926  -0.969
   15    HA   ARG   4           HA       ARG   4   7.210   3.398  -0.141
   16    HB2  ARG   4           HB2      ARG   4   4.703   2.676   1.386
   17    HB3  ARG   4           HB3      ARG   4   5.865   3.890   1.905
   18    HG2  ARG   4           HG2      ARG   4   4.357   3.990  -0.698
   19    HG3  ARG   4           HG3      ARG   4   3.862   4.818   0.780
   20    HD2  ARG   4           HD2      ARG   4   6.069   5.983   0.776
   21    HD3  ARG   4           HD3      ARG   4   6.392   5.257  -0.798
   22    HE   ARG   4           HE       ARG   4   3.935   6.577  -0.939
   23   HH11  ARG   4          HH11      ARG   4   7.312   7.321  -0.528
   24   HH12  ARG   4          HH12      ARG   4   7.190   8.887  -1.260
   25   HH21  ARG   4          HH21      ARG   4   3.762   8.636  -1.904
   26   HH22  ARG   4          HH22      ARG   4   5.170   9.634  -2.041
   27    H    CYS   5           H        CYS   5   5.985   0.300   0.990
   28    HA   CYS   5           HA       CYS   5   7.605   0.081   3.290
   29    HB2  CYS   5           HB2      CYS   5   5.552  -1.361   2.349
   30    HB3  CYS   5           HB3      CYS   5   6.874  -2.385   1.798
   31    H    TYR   6           H        TYR   6   7.987  -1.451   0.089
   32    HA   TYR   6           HA       TYR   6  10.478  -2.593   0.519
   33    HB2  TYR   6           HB2      TYR   6   9.277  -3.232  -1.427
   34    HB3  TYR   6           HB3      TYR   6   9.161  -1.570  -1.994
   35    HD1  TYR   6           HD1      TYR   6  12.042  -3.659  -0.843
   36    HD2  TYR   6           HD2      TYR   6  10.321  -1.351  -3.977
   37    HE1  TYR   6           HE1      TYR   6  14.074  -3.984  -2.191
   38    HE2  TYR   6           HE2      TYR   6  12.348  -1.671  -5.333
   39    HH   TYR   6           HH       TYR   6  14.222  -3.244  -5.502
   40    H    ARG   7           H        ARG   7   9.633   0.690  -0.400
   41    HA   ARG   7           HA       ARG   7  12.104   1.640  -1.229
   42    HB2  ARG   7           HB2      ARG   7   9.757   2.932   0.118
   43    HB3  ARG   7           HB3      ARG   7  11.222   3.859  -0.176
   44    HG2  ARG   7           HG2      ARG   7  11.045   3.438  -2.556
   45    HG3  ARG   7           HG3      ARG   7   9.619   2.433  -2.289
   46    HD2  ARG   7           HD2      ARG   7   9.166   4.792  -3.047
   47    HD3  ARG   7           HD3      ARG   7   8.332   4.288  -1.578
   48    HE   ARG   7           HE       ARG   7   9.500   5.874  -0.414
   49   HH11  ARG   7          HH11      ARG   7  11.040   5.355  -3.493
   50   HH12  ARG   7          HH12      ARG   7  12.145   6.677  -3.310
   51   HH21  ARG   7          HH21      ARG   7  10.950   7.617  -0.162
   52   HH22  ARG   7          HH22      ARG   7  12.094   7.962  -1.414
   53    H    MET   8           H        MET   8  10.858   1.139   2.021
   54    HA   MET   8           HA       MET   8  12.902   2.497   3.413
   55    HB2  MET   8           HB2      MET   8  10.776   1.888   4.464
   56    HB3  MET   8           HB3      MET   8  11.173   0.183   4.307
   57    HG2  MET   8           HG2      MET   8  11.596   0.800   6.549
   58    HG3  MET   8           HG3      MET   8  13.158   0.594   5.762
   59    HE1  MET   8           HE1      MET   8  12.658   1.800   8.430
   60    HE2  MET   8           HE2      MET   8  14.297   2.299   8.012
   61    HE3  MET   8           HE3      MET   8  13.126   3.494   8.572
   62    H    CYS   9           H        CYS   9  12.665  -0.729   2.084
   63    HA   CYS   9           HA       CYS   9  14.833  -1.895   3.459
   64    HB2  CYS   9           HB2      CYS   9  13.905  -2.590   0.669
   65    HB3  CYS   9           HB3      CYS   9  14.743  -3.639   1.808
   66    H    GLN  10           H        GLN  10  14.654   0.234   0.720
   67    HA   GLN  10           HA       GLN  10  17.085  -0.227  -0.526
   68    HB2  GLN  10           HB2      GLN  10  15.640   2.394  -0.104
   69    HB3  GLN  10           HB3      GLN  10  16.973   2.161  -1.227
   70    HG2  GLN  10           HG2      GLN  10  14.496   0.492  -1.399
   71    HG3  GLN  10           HG3      GLN  10  14.577   2.093  -2.131
   72   HE21  GLN  10          HE21      GLN  10  14.165   0.781  -4.083
   73   HE22  GLN  10          HE22      GLN  10  15.525   0.121  -4.920
   74    H    ARG  11           H        ARG  11  16.407   1.293   2.520
   75    HA   ARG  11           HA       ARG  11  18.807   2.731   2.848
   76    HB2  ARG  11           HB2      ARG  11  18.191   2.989   5.102
   77    HB3  ARG  11           HB3      ARG  11  16.664   2.875   4.237
   78    HG2  ARG  11           HG2      ARG  11  16.172   1.424   5.883
   79    HG3  ARG  11           HG3      ARG  11  17.028   0.289   4.838
   80    HD2  ARG  11           HD2      ARG  11  18.112  -0.108   6.807
   81    HD3  ARG  11           HD3      ARG  11  19.122   1.187   6.167
   82    HE   ARG  11           HE       ARG  11  18.457   2.496   7.912
   83   HH11  ARG  11          HH11      ARG  11  16.173  -0.105   7.533
   84   HH12  ARG  11          HH12      ARG  11  15.276   0.301   8.959
   85   HH21  ARG  11          HH21      ARG  11  17.284   3.040   9.792
   86   HH22  ARG  11          HH22      ARG  11  15.909   2.091  10.242
   87    H    TYR  12           H        TYR  12  18.033  -0.635   3.165
   88    HA   TYR  12           HA       TYR  12  20.430  -1.273   4.652
   89    HB2  TYR  12           HB2      TYR  12  18.257  -2.965   3.417
   90    HB3  TYR  12           HB3      TYR  12  19.670  -3.658   4.206
   91    HD1  TYR  12           HD1      TYR  12  20.124  -2.565   6.636
   92    HD2  TYR  12           HD2      TYR  12  16.348  -2.803   4.690
   93    HE1  TYR  12           HE1      TYR  12  18.997  -2.392   8.815
   94    HE2  TYR  12           HE2      TYR  12  15.210  -2.630   6.864
   95    HH   TYR  12           HH       TYR  12  16.537  -3.216   9.684
   96    H    HIS  13           H        HIS  13  22.344  -1.825   3.828
   97    HA   HIS  13           HA       HIS  13  22.653  -1.866   0.936
   98    HB2  HIS  13           HB2      HIS  13  24.521  -1.601   3.262
   99    HB3  HIS  13           HB3      HIS  13  25.158  -2.097   1.697
  100    HD1  HIS  13           HD1      HIS  13  25.805   0.640   3.144
  101    HD2  HIS  13           HD2      HIS  13  23.057   0.088   0.078
  102    HE1  HIS  13           HE1      HIS  13  25.547   2.894   2.058
  103    H    ASP  14           H        ASP  14  22.738  -4.035   3.647
  104    HA   ASP  14           HA       ASP  14  24.109  -6.162   2.317
  105    HB2  ASP  14           HB2      ASP  14  23.105  -5.640   4.942
  106    HB3  ASP  14           HB3      ASP  14  22.475  -7.194   4.401
  107    H    ARG  15           H        ARG  15  23.324  -7.423   0.777
  108    HA   ARG  15           HA       ARG  15  20.780  -7.299  -0.284
  109    HB2  ARG  15           HB2      ARG  15  22.646  -9.679  -0.316
  110    HB3  ARG  15           HB3      ARG  15  21.296  -9.419  -1.413
  111    HG2  ARG  15           HG2      ARG  15  22.401  -7.395  -2.263
  112    HG3  ARG  15           HG3      ARG  15  23.769  -7.715  -1.195
  113    HD2  ARG  15           HD2      ARG  15  24.512  -8.659  -3.153
  114    HD3  ARG  15           HD3      ARG  15  23.757 -10.049  -2.376
  115    HE   ARG  15           HE       ARG  15  21.816  -8.816  -3.938
  116   HH11  ARG  15          HH11      ARG  15  24.853 -10.461  -4.374
  117   HH12  ARG  15          HH12      ARG  15  24.451 -11.061  -5.949
  118   HH21  ARG  15          HH21      ARG  15  21.274  -9.601  -6.010
  119   HH22  ARG  15          HH22      ARG  15  22.415 -10.571  -6.878
  120    H    ARG  16           H        ARG  16  21.988  -9.297   2.336
  121    HA   ARG  16           HA       ARG  16  19.797 -11.061   2.519
  122    HB2  ARG  16           HB2      ARG  16  22.145 -11.157   3.644
  123    HB3  ARG  16           HB3      ARG  16  21.386 -10.210   4.916
  124    HG2  ARG  16           HG2      ARG  16  19.805 -11.941   5.362
  125    HG3  ARG  16           HG3      ARG  16  20.335 -12.856   3.950
  126    HD2  ARG  16           HD2      ARG  16  22.110 -12.188   6.291
  127    HD3  ARG  16           HD3      ARG  16  21.213 -13.698   6.136
  128    HE   ARG  16           HE       ARG  16  22.871 -13.130   3.867
  129   HH11  ARG  16          HH11      ARG  16  22.797 -14.497   7.067
  130   HH12  ARG  16          HH12      ARG  16  24.158 -15.534   6.797
  131   HH21  ARG  16          HH21      ARG  16  24.664 -14.491   3.499
  132   HH22  ARG  16          HH22      ARG  16  25.220 -15.529   4.767
  133    H    GLU  17           H        GLU  17  20.448  -7.912   3.975
  134    HA   GLU  17           HA       GLU  17  18.102  -7.930   5.615
  135    HB2  GLU  17           HB2      GLU  17  20.179  -5.902   4.894
  136    HB3  GLU  17           HB3      GLU  17  18.681  -5.363   5.639
  137    HG2  GLU  17           HG2      GLU  17  20.463  -7.474   6.823
  138    HG3  GLU  17           HG3      GLU  17  20.575  -5.760   7.217
  139    H    LYS  18           H        LYS  18  18.936  -6.700   2.432
  140    HA   LYS  18           HA       LYS  18  16.634  -5.116   2.029
  141    HB2  LYS  18           HB2      LYS  18  18.944  -5.545   0.642
  142    HB3  LYS  18           HB3      LYS  18  17.783  -6.411  -0.355
  143    HG2  LYS  18           HG2      LYS  18  16.983  -3.708   0.505
  144    HG3  LYS  18           HG3      LYS  18  18.332  -3.801  -0.630
  145    HD2  LYS  18           HD2      LYS  18  15.701  -5.207  -1.054
  146    HD3  LYS  18           HD3      LYS  18  16.054  -3.595  -1.679
  147    HE2  LYS  18           HE2      LYS  18  17.982  -5.786  -2.252
  148    HE3  LYS  18           HE3      LYS  18  16.453  -5.772  -3.129
  149    HZ1  LYS  18           HZ1      LYS  18  16.942  -3.732  -4.099
  150    HZ2  LYS  18           HZ2      LYS  18  18.421  -4.551  -4.152
  151    HZ3  LYS  18           HZ3      LYS  18  18.155  -3.362  -2.978
  152    H    LYS  19           H        LYS  19  17.409  -8.371   0.787
  153    HA   LYS  19           HA       LYS  19  14.951  -8.922  -0.378
  154    HB2  LYS  19           HB2      LYS  19  17.152 -10.260  -0.462
  155    HB3  LYS  19           HB3      LYS  19  16.587 -11.031   1.014
  156    HG2  LYS  19           HG2      LYS  19  14.802 -10.958  -1.372
  157    HG3  LYS  19           HG3      LYS  19  16.130 -12.119  -1.310
  158    HD2  LYS  19           HD2      LYS  19  15.223 -12.761   0.993
  159    HD3  LYS  19           HD3      LYS  19  13.772 -11.864   0.538
  160    HE2  LYS  19           HE2      LYS  19  14.958 -14.141  -1.045
  161    HE3  LYS  19           HE3      LYS  19  13.614 -14.297   0.086
  162    HZ1  LYS  19           HZ1      LYS  19  12.506 -12.519  -1.337
  163    HZ2  LYS  19           HZ2      LYS  19  12.613 -14.077  -1.987
  164    HZ3  LYS  19           HZ3      LYS  19  13.683 -12.870  -2.500
  165    H    GLN  20           H        GLN  20  16.061  -9.789   2.897
  166    HA   GLN  20           HA       GLN  20  13.742 -11.021   3.789
  167    HB2  GLN  20           HB2      GLN  20  15.903 -11.008   5.004
  168    HB3  GLN  20           HB3      GLN  20  15.631  -9.323   5.428
  169    HG2  GLN  20           HG2      GLN  20  15.078 -10.813   7.270
  170    HG3  GLN  20           HG3      GLN  20  13.659  -9.936   6.699
  171   HE21  GLN  20          HE21      GLN  20  11.942 -11.177   6.831
  172   HE22  GLN  20          HE22      GLN  20  11.854 -12.849   6.405
  173    H    CYS  21           H        CYS  21  14.636  -7.591   3.902
  174    HA   CYS  21           HA       CYS  21  12.337  -6.713   5.283
  175    HB2  CYS  21           HB2      CYS  21  14.253  -5.278   5.206
  176    HB3  CYS  21           HB3      CYS  21  14.255  -5.277   3.445
  177    H    LYS  22           H        LYS  22  13.087  -6.981   1.834
  178    HA   LYS  22           HA       LYS  22  10.821  -5.747   0.793
  179    HB2  LYS  22           HB2      LYS  22  12.605  -6.294  -0.685
  180    HB3  LYS  22           HB3      LYS  22  12.529  -7.999  -0.259
  181    HG2  LYS  22           HG2      LYS  22  11.600  -7.541  -2.480
  182    HG3  LYS  22           HG3      LYS  22  10.402  -8.225  -1.379
  183    HD2  LYS  22           HD2      LYS  22   9.156  -6.334  -1.350
  184    HD3  LYS  22           HD3      LYS  22  10.566  -5.278  -1.451
  185    HE2  LYS  22           HE2      LYS  22   9.603  -6.926  -3.775
  186    HE3  LYS  22           HE3      LYS  22   9.003  -5.300  -3.454
  187    HZ1  LYS  22           HZ1      LYS  22  11.841  -5.370  -3.387
  188    HZ2  LYS  22           HZ2      LYS  22  10.818  -4.428  -4.350
  189    HZ3  LYS  22           HZ3      LYS  22  11.269  -5.977  -4.859
  190    H    GLU  23           H        GLU  23  11.325  -9.253   1.250
  191    HA   GLU  23           HA       GLU  23   8.654  -9.960   0.693
  192    HB2  GLU  23           HB2      GLU  23  10.821 -11.417   0.803
  193    HB3  GLU  23           HB3      GLU  23  10.392 -11.605   2.497
  194    HG2  GLU  23           HG2      GLU  23   9.329 -13.418   1.666
  195    HG3  GLU  23           HG3      GLU  23   8.043 -12.232   1.448
  196    H    GLY  24           H        GLY  24  10.361  -9.342   3.736
  197    HA2  GLY  24           HA2      GLY  24   8.428 -10.103   5.558
  198    HA3  GLY  24           HA3      GLY  24   9.560  -8.783   5.816
  199    H    CYS  25           H        CYS  25   8.555  -7.193   3.596
  200    HA   CYS  25           HA       CYS  25   6.554  -5.750   4.976
  201    HB2  CYS  25           HB2      CYS  25   7.815  -5.573   2.272
  202    HB3  CYS  25           HB3      CYS  25   6.346  -4.653   2.581
  203    H    ARG  26           H        ARG  26   6.452  -8.110   2.372
  204    HA   ARG  26           HA       ARG  26   3.739  -7.741   1.667
  205    HB2  ARG  26           HB2      ARG  26   5.307 -10.308   1.419
  206    HB3  ARG  26           HB3      ARG  26   3.934  -9.792   0.449
  207    HG2  ARG  26           HG2      ARG  26   6.660  -8.513   0.472
  208    HG3  ARG  26           HG3      ARG  26   6.019  -9.577  -0.781
  209    HD2  ARG  26           HD2      ARG  26   4.940  -6.873   0.006
  210    HD3  ARG  26           HD3      ARG  26   5.829  -7.258  -1.467
  211    HE   ARG  26           HE       ARG  26   3.047  -7.720  -0.958
  212   HH11  ARG  26          HH11      ARG  26   5.822  -8.796  -2.763
  213   HH12  ARG  26          HH12      ARG  26   4.883  -9.495  -4.041
  214   HH21  ARG  26          HH21      ARG  26   1.800  -8.637  -2.633
  215   HH22  ARG  26          HH22      ARG  26   2.595  -9.403  -3.966
  216    H    TYR  27           H        TYR  27   1.884  -8.643   2.417
  217    HA   TYR  27           HA       TYR  27   2.038  -9.956   5.015
  218    HB2  TYR  27           HB2      TYR  27  -0.392  -8.975   3.505
  219    HB3  TYR  27           HB3      TYR  27  -0.347  -9.496   5.186
  220    HD1  TYR  27           HD1      TYR  27   0.530  -8.056   6.913
  221    HD2  TYR  27           HD2      TYR  27   0.571  -6.825   2.840
  222    HE1  TYR  27           HE1      TYR  27   1.019  -5.751   7.620
  223    HE2  TYR  27           HE2      TYR  27   1.061  -4.518   3.536
  224    HH   TYR  27           HH       TYR  27   1.119  -3.598   6.940
  225    H    GLY  28           H        GLY  28   0.056 -10.437   2.081
  226    HA2  GLY  28           HA2      GLY  28   0.438 -13.341   2.424
  227    HA3  GLY  28           HA3      GLY  28  -1.171 -12.678   2.179
  Start of MODEL    4
    1    H    ALA   1           H        ALA   1   5.245  -5.856  -7.241
    2    HA   ALA   1           HA       ALA   1   7.973  -5.940  -6.960
    3    HB1  ALA   1           HB1      ALA   1   6.255  -4.344  -8.838
    4    HB2  ALA   1           HB2      ALA   1   8.016  -4.362  -8.952
    5    HB3  ALA   1           HB3      ALA   1   7.105  -5.860  -9.144
    6    H    ASP   2           H        ASP   2   5.970  -2.989  -6.857
    7    HA   ASP   2           HA       ASP   2   8.127  -1.704  -5.313
    8    HB2  ASP   2           HB2      ASP   2   7.549   0.410  -6.306
    9    HB3  ASP   2           HB3      ASP   2   7.780  -0.756  -7.605
   10    H    ASP   3           H        ASP   3   7.603  -0.663  -3.451
   11    HA   ASP   3           HA       ASP   3   4.872  -0.054  -2.770
   12    HB2  ASP   3           HB2      ASP   3   5.263  -2.562  -2.284
   13    HB3  ASP   3           HB3      ASP   3   6.269  -2.001  -0.950
   14    H    ARG   4           H        ARG   4   4.683   1.235  -0.886
   15    HA   ARG   4           HA       ARG   4   6.731   3.062  -0.465
   16    HB2  ARG   4           HB2      ARG   4   4.248   3.275   0.107
   17    HB3  ARG   4           HB3      ARG   4   4.630   2.427   1.599
   18    HG2  ARG   4           HG2      ARG   4   6.087   4.179   2.307
   19    HG3  ARG   4           HG3      ARG   4   5.963   4.983   0.740
   20    HD2  ARG   4           HD2      ARG   4   4.502   6.204   2.063
   21    HD3  ARG   4           HD3      ARG   4   3.432   5.066   1.246
   22    HE   ARG   4           HE       ARG   4   2.908   4.193   3.283
   23   HH11  ARG   4          HH11      ARG   4   5.950   5.865   3.546
   24   HH12  ARG   4          HH12      ARG   4   6.073   5.641   5.259
   25   HH21  ARG   4          HH21      ARG   4   3.059   3.891   5.539
   26   HH22  ARG   4          HH22      ARG   4   4.429   4.517   6.392
   27    H    CYS   5           H        CYS   5   5.833   0.214   1.446
   28    HA   CYS   5           HA       CYS   5   7.724   0.602   3.505
   29    HB2  CYS   5           HB2      CYS   5   5.750  -0.910   3.658
   30    HB3  CYS   5           HB3      CYS   5   6.546  -2.012   2.538
   31    H    TYR   6           H        TYR   6   7.839  -1.256   0.491
   32    HA   TYR   6           HA       TYR   6  10.283  -2.522   0.834
   33    HB2  TYR   6           HB2      TYR   6   8.947  -3.161  -1.021
   34    HB3  TYR   6           HB3      TYR   6   8.891  -1.516  -1.644
   35    HD1  TYR   6           HD1      TYR   6   9.874  -1.581  -3.747
   36    HD2  TYR   6           HD2      TYR   6  11.790  -3.573  -0.512
   37    HE1  TYR   6           HE1      TYR   6  11.804  -2.060  -5.193
   38    HE2  TYR   6           HE2      TYR   6  13.726  -4.057  -1.949
   39    HH   TYR   6           HH       TYR   6  13.662  -3.509  -5.364
   40    H    ARG   7           H        ARG   7   9.570   0.770  -0.156
   41    HA   ARG   7           HA       ARG   7  12.038   1.552  -1.152
   42    HB2  ARG   7           HB2      ARG   7  10.090   3.185   0.486
   43    HB3  ARG   7           HB3      ARG   7  11.394   3.843  -0.494
   44    HG2  ARG   7           HG2      ARG   7   9.508   2.052  -1.882
   45    HG3  ARG   7           HG3      ARG   7   8.865   3.607  -1.347
   46    HD2  ARG   7           HD2      ARG   7  10.373   4.815  -2.656
   47    HD3  ARG   7           HD3      ARG   7  11.457   3.436  -2.842
   48    HE   ARG   7           HE       ARG   7   8.851   3.063  -4.013
   49   HH11  ARG   7          HH11      ARG   7  12.093   4.232  -4.505
   50   HH12  ARG   7          HH12      ARG   7  12.029   4.072  -6.229
   51   HH21  ARG   7          HH21      ARG   7   8.754   2.848  -6.282
   52   HH22  ARG   7          HH22      ARG   7  10.129   3.285  -7.239
   53    H    MET   8           H        MET   8  10.950   1.229   2.178
   54    HA   MET   8           HA       MET   8  13.141   2.515   3.407
   55    HB2  MET   8           HB2      MET   8  11.332   0.337   4.469
   56    HB3  MET   8           HB3      MET   8  12.434   1.299   5.446
   57    HG2  MET   8           HG2      MET   8  10.151   2.416   3.836
   58    HG3  MET   8           HG3      MET   8  10.090   2.056   5.560
   59    HE1  MET   8           HE1      MET   8   9.066   4.402   5.200
   60    HE2  MET   8           HE2      MET   8   9.857   4.772   6.733
   61    HE3  MET   8           HE3      MET   8  10.002   5.888   5.374
   62    H    CYS   9           H        CYS   9  12.650  -0.739   2.218
   63    HA   CYS   9           HA       CYS   9  14.831  -1.973   3.511
   64    HB2  CYS   9           HB2      CYS   9  13.706  -2.724   0.809
   65    HB3  CYS   9           HB3      CYS   9  14.542  -3.773   1.949
   66    H    GLN  10           H        GLN  10  14.564  -0.102   0.558
   67    HA   GLN  10           HA       GLN  10  16.970  -0.725  -0.672
   68    HB2  GLN  10           HB2      GLN  10  14.996   0.860  -1.379
   69    HB3  GLN  10           HB3      GLN  10  16.001   2.106  -0.650
   70    HG2  GLN  10           HG2      GLN  10  17.832   1.510  -2.152
   71    HG3  GLN  10           HG3      GLN  10  16.822   0.264  -2.884
   72   HE21  GLN  10          HE21      GLN  10  17.984   3.245  -3.355
   73   HE22  GLN  10          HE22      GLN  10  16.742   3.912  -4.355
   74    H    ARG  11           H        ARG  11  16.354   1.155   2.173
   75    HA   ARG  11           HA       ARG  11  18.738   2.651   2.259
   76    HB2  ARG  11           HB2      ARG  11  16.894   3.247   3.686
   77    HB3  ARG  11           HB3      ARG  11  16.926   1.670   4.465
   78    HG2  ARG  11           HG2      ARG  11  19.075   2.172   5.462
   79    HG3  ARG  11           HG3      ARG  11  19.120   3.725   4.626
   80    HD2  ARG  11           HD2      ARG  11  16.926   4.239   5.819
   81    HD3  ARG  11           HD3      ARG  11  17.281   2.840   6.831
   82    HE   ARG  11           HE       ARG  11  19.528   4.494   6.831
   83   HH11  ARG  11          HH11      ARG  11  16.222   4.540   7.922
   84   HH12  ARG  11          HH12      ARG  11  16.539   5.604   9.252
   85   HH21  ARG  11          HH21      ARG  11  19.958   5.896   8.578
   86   HH22  ARG  11          HH22      ARG  11  18.664   6.376   9.623
   87    H    TYR  12           H        TYR  12  18.035  -0.664   2.980
   88    HA   TYR  12           HA       TYR  12  20.475  -1.091   4.473
   89    HB2  TYR  12           HB2      TYR  12  18.623  -3.202   3.369
   90    HB3  TYR  12           HB3      TYR  12  19.756  -3.356   4.707
   91    HD1  TYR  12           HD1      TYR  12  16.604  -3.783   4.444
   92    HD2  TYR  12           HD2      TYR  12  19.096  -0.769   6.123
   93    HE1  TYR  12           HE1      TYR  12  14.813  -3.189   6.022
   94    HE2  TYR  12           HE2      TYR  12  17.312  -0.168   7.706
   95    HH   TYR  12           HH       TYR  12  14.144  -1.759   7.595
   96    H    HIS  13           H        HIS  13  22.364  -1.842   3.712
   97    HA   HIS  13           HA       HIS  13  22.657  -2.091   0.829
   98    HB2  HIS  13           HB2      HIS  13  24.699  -2.049   3.060
   99    HB3  HIS  13           HB3      HIS  13  25.099  -2.159   1.348
  100    HD1  HIS  13           HD1      HIS  13  23.390  -0.024   0.115
  101    HD2  HIS  13           HD2      HIS  13  25.328   0.485   3.754
  102    HE1  HIS  13           HE1      HIS  13  23.610   2.463   0.418
  103    H    ASP  14           H        ASP  14  22.599  -4.085   3.659
  104    HA   ASP  14           HA       ASP  14  23.907  -6.349   2.503
  105    HB2  ASP  14           HB2      ASP  14  22.815  -5.626   5.058
  106    HB3  ASP  14           HB3      ASP  14  22.196  -7.207   4.587
  107    H    ARG  15           H        ARG  15  23.104  -7.620   0.981
  108    HA   ARG  15           HA       ARG  15  20.580  -7.462  -0.122
  109    HB2  ARG  15           HB2      ARG  15  21.050  -9.620  -1.179
  110    HB3  ARG  15           HB3      ARG  15  22.460  -8.570  -1.228
  111    HG2  ARG  15           HG2      ARG  15  22.996  -9.886   1.032
  112    HG3  ARG  15           HG3      ARG  15  22.035 -11.115   0.208
  113    HD2  ARG  15           HD2      ARG  15  23.848  -9.993  -1.671
  114    HD3  ARG  15           HD3      ARG  15  24.752 -10.407  -0.215
  115    HE   ARG  15           HE       ARG  15  24.420 -12.626  -0.679
  116   HH11  ARG  15          HH11      ARG  15  22.257 -10.710  -2.620
  117   HH12  ARG  15          HH12      ARG  15  21.723 -12.049  -3.581
  118   HH21  ARG  15          HH21      ARG  15  23.726 -14.397  -1.937
  119   HH22  ARG  15          HH22      ARG  15  22.559 -14.146  -3.191
  120    H    ARG  16           H        ARG  16  21.690  -9.384   2.594
  121    HA   ARG  16           HA       ARG  16  19.451 -11.083   2.810
  122    HB2  ARG  16           HB2      ARG  16  21.549 -11.566   3.954
  123    HB3  ARG  16           HB3      ARG  16  21.370 -10.119   4.937
  124    HG2  ARG  16           HG2      ARG  16  20.725 -11.899   6.317
  125    HG3  ARG  16           HG3      ARG  16  19.217 -11.144   5.798
  126    HD2  ARG  16           HD2      ARG  16  18.869 -13.464   5.588
  127    HD3  ARG  16           HD3      ARG  16  19.150 -12.876   3.950
  128    HE   ARG  16           HE       ARG  16  21.064 -14.131   3.862
  129   HH11  ARG  16          HH11      ARG  16  20.007 -13.880   7.170
  130   HH12  ARG  16          HH12      ARG  16  21.158 -15.032   7.762
  131   HH21  ARG  16          HH21      ARG  16  22.583 -15.650   4.630
  132   HH22  ARG  16          HH22      ARG  16  22.623 -16.037   6.316
  133    H    GLU  17           H        GLU  17  20.153  -7.887   4.131
  134    HA   GLU  17           HA       GLU  17  17.788  -7.777   5.739
  135    HB2  GLU  17           HB2      GLU  17  19.870  -5.779   4.912
  136    HB3  GLU  17           HB3      GLU  17  18.402  -5.250   5.721
  137    HG2  GLU  17           HG2      GLU  17  20.396  -7.228   6.803
  138    HG3  GLU  17           HG3      GLU  17  20.235  -5.542   7.292
  139    H    LYS  18           H        LYS  18  18.687  -6.718   2.513
  140    HA   LYS  18           HA       LYS  18  16.422  -5.109   2.006
  141    HB2  LYS  18           HB2      LYS  18  18.739  -5.631   0.674
  142    HB3  LYS  18           HB3      LYS  18  17.588  -6.542  -0.293
  143    HG2  LYS  18           HG2      LYS  18  16.936  -3.731   0.430
  144    HG3  LYS  18           HG3      LYS  18  18.133  -4.036  -0.832
  145    HD2  LYS  18           HD2      LYS  18  15.379  -5.261  -0.818
  146    HD3  LYS  18           HD3      LYS  18  15.768  -3.748  -1.640
  147    HE2  LYS  18           HE2      LYS  18  16.865  -4.790  -3.311
  148    HE3  LYS  18           HE3      LYS  18  17.565  -5.999  -2.236
  149    HZ1  LYS  18           HZ1      LYS  18  14.722  -6.022  -3.079
  150    HZ2  LYS  18           HZ2      LYS  18  15.571  -7.251  -2.286
  151    HZ3  LYS  18           HZ3      LYS  18  15.939  -6.871  -3.893
  152    H    LYS  19           H        LYS  19  17.148  -8.412   0.862
  153    HA   LYS  19           HA       LYS  19  14.654  -8.947  -0.250
  154    HB2  LYS  19           HB2      LYS  19  16.823 -10.299  -0.424
  155    HB3  LYS  19           HB3      LYS  19  16.350 -11.040   1.099
  156    HG2  LYS  19           HG2      LYS  19  14.109 -11.502  -0.181
  157    HG3  LYS  19           HG3      LYS  19  15.139 -11.317  -1.603
  158    HD2  LYS  19           HD2      LYS  19  15.250 -13.598  -1.172
  159    HD3  LYS  19           HD3      LYS  19  16.709 -12.978  -0.395
  160    HE2  LYS  19           HE2      LYS  19  14.241 -13.101   1.243
  161    HE3  LYS  19           HE3      LYS  19  15.010 -14.632   0.829
  162    HZ1  LYS  19           HZ1      LYS  19  15.924 -12.518   2.595
  163    HZ2  LYS  19           HZ2      LYS  19  17.117 -13.219   1.623
  164    HZ3  LYS  19           HZ3      LYS  19  16.202 -14.186   2.666
  165    H    GLN  20           H        GLN  20  15.855  -9.811   2.993
  166    HA   GLN  20           HA       GLN  20  13.555 -11.024   3.958
  167    HB2  GLN  20           HB2      GLN  20  15.782 -10.988   5.090
  168    HB3  GLN  20           HB3      GLN  20  15.467  -9.324   5.565
  169    HG2  GLN  20           HG2      GLN  20  15.012 -10.904   7.372
  170    HG3  GLN  20           HG3      GLN  20  13.566 -10.021   6.882
  171   HE21  GLN  20          HE21      GLN  20  15.297 -13.017   6.087
  172   HE22  GLN  20          HE22      GLN  20  13.883 -14.001   5.961
  173    H    CYS  21           H        CYS  21  14.483  -7.601   4.060
  174    HA   CYS  21           HA       CYS  21  12.222  -6.709   5.494
  175    HB2  CYS  21           HB2      CYS  21  14.143  -5.288   5.386
  176    HB3  CYS  21           HB3      CYS  21  14.120  -5.286   3.626
  177    H    LYS  22           H        LYS  22  12.892  -6.977   2.030
  178    HA   LYS  22           HA       LYS  22  10.580  -5.727   1.074
  179    HB2  LYS  22           HB2      LYS  22  12.351  -6.178  -0.455
  180    HB3  LYS  22           HB3      LYS  22  12.318  -7.899  -0.092
  181    HG2  LYS  22           HG2      LYS  22  11.336  -7.375  -2.277
  182    HG3  LYS  22           HG3      LYS  22  10.176  -8.129  -1.181
  183    HD2  LYS  22           HD2      LYS  22   8.840  -6.333  -1.194
  184    HD3  LYS  22           HD3      LYS  22  10.195  -5.219  -1.002
  185    HE2  LYS  22           HE2      LYS  22   9.153  -4.744  -3.096
  186    HE3  LYS  22           HE3      LYS  22  10.694  -5.533  -3.429
  187    HZ1  LYS  22           HZ1      LYS  22   9.579  -6.995  -4.638
  188    HZ2  LYS  22           HZ2      LYS  22   8.090  -6.340  -4.175
  189    HZ3  LYS  22           HZ3      LYS  22   8.810  -7.549  -3.236
  190    H    GLU  23           H        GLU  23  11.185  -9.234   1.386
  191    HA   GLU  23           HA       GLU  23   8.617 -10.096   0.784
  192    HB2  GLU  23           HB2      GLU  23  10.782 -11.456   1.136
  193    HB3  GLU  23           HB3      GLU  23  10.328 -11.479   2.834
  194    HG2  GLU  23           HG2      GLU  23   8.492 -12.815   2.468
  195    HG3  GLU  23           HG3      GLU  23   8.354 -12.343   0.775
  196    H    GLY  24           H        GLY  24   9.958  -8.950   3.827
  197    HA2  GLY  24           HA2      GLY  24   7.705  -9.704   5.420
  198    HA3  GLY  24           HA3      GLY  24   8.991  -8.602   5.891
  199    H    CYS  25           H        CYS  25   8.593  -6.825   3.617
  200    HA   CYS  25           HA       CYS  25   6.703  -5.073   4.766
  201    HB2  CYS  25           HB2      CYS  25   8.311  -5.105   2.249
  202    HB3  CYS  25           HB3      CYS  25   6.985  -3.955   2.382
  203    H    ARG  26           H        ARG  26   6.579  -7.096   1.848
  204    HA   ARG  26           HA       ARG  26   3.890  -6.346   1.216
  205    HB2  ARG  26           HB2      ARG  26   4.030  -8.154  -0.467
  206    HB3  ARG  26           HB3      ARG  26   5.390  -7.042  -0.554
  207    HG2  ARG  26           HG2      ARG  26   6.564  -8.959  -0.678
  208    HG3  ARG  26           HG3      ARG  26   6.438  -8.884   1.080
  209    HD2  ARG  26           HD2      ARG  26   5.867 -11.106   0.266
  210    HD3  ARG  26           HD3      ARG  26   4.465 -10.328   0.999
  211    HE   ARG  26           HE       ARG  26   3.426 -10.331  -1.048
  212   HH11  ARG  26          HH11      ARG  26   6.802 -11.078  -1.454
  213   HH12  ARG  26          HH12      ARG  26   6.638 -11.521  -3.121
  214   HH21  ARG  26          HH21      ARG  26   3.197 -10.910  -3.242
  215   HH22  ARG  26          HH22      ARG  26   4.587 -11.424  -4.138
  216    H    TYR  27           H        TYR  27   2.148  -8.017   0.994
  217    HA   TYR  27           HA       TYR  27   1.950  -9.490   3.503
  218    HB2  TYR  27           HB2      TYR  27  -0.083  -8.742   1.401
  219    HB3  TYR  27           HB3      TYR  27  -0.460  -9.780   2.771
  220    HD1  TYR  27           HD1      TYR  27   0.804  -6.391   1.903
  221    HD2  TYR  27           HD2      TYR  27  -1.070  -8.848   4.828
  222    HE1  TYR  27           HE1      TYR  27   0.354  -4.402   3.277
  223    HE2  TYR  27           HE2      TYR  27  -1.526  -6.865   6.210
  224    HH   TYR  27           HH       TYR  27  -1.772  -4.116   5.460
  225    H    GLY  28           H        GLY  28   3.133 -11.347   3.218
  226    HA2  GLY  28           HA2      GLY  28   2.019 -13.244   1.257
  227    HA3  GLY  28           HA3      GLY  28   3.759 -13.035   1.390
  Start of MODEL    5
    1    H    ALA   1           H        ALA   1   6.671   7.161  -8.801
    2    HA   ALA   1           HA       ALA   1   5.113   5.637  -7.977
    3    HB1  ALA   1           HB1      ALA   1   4.639   5.716 -10.301
    4    HB2  ALA   1           HB2      ALA   1   5.971   4.622 -10.677
    5    HB3  ALA   1           HB3      ALA   1   4.552   4.021  -9.819
    6    H    ASP   2           H        ASP   2   7.180   5.037  -6.465
    7    HA   ASP   2           HA       ASP   2   7.584   2.131  -6.720
    8    HB2  ASP   2           HB2      ASP   2   9.560   3.880  -6.611
    9    HB3  ASP   2           HB3      ASP   2   9.239   3.808  -4.880
   10    H    ASP   3           H        ASP   3   7.520   0.855  -4.778
   11    HA   ASP   3           HA       ASP   3   5.337   1.581  -3.077
   12    HB2  ASP   3           HB2      ASP   3   5.892  -0.764  -3.871
   13    HB3  ASP   3           HB3      ASP   3   7.213  -0.755  -2.705
   14    H    ARG   4           H        ARG   4   5.433   2.721  -1.267
   15    HA   ARG   4           HA       ARG   4   7.747   3.819  -0.199
   16    HB2  ARG   4           HB2      ARG   4   4.961   3.449   0.817
   17    HB3  ARG   4           HB3      ARG   4   6.200   4.008   1.933
   18    HG2  ARG   4           HG2      ARG   4   5.346   5.992   1.173
   19    HG3  ARG   4           HG3      ARG   4   6.698   5.755   0.064
   20    HD2  ARG   4           HD2      ARG   4   5.230   4.916  -1.639
   21    HD3  ARG   4           HD3      ARG   4   3.863   4.920  -0.525
   22    HE   ARG   4           HE       ARG   4   4.711   7.514  -0.574
   23   HH11  ARG   4          HH11      ARG   4   3.703   5.207  -2.979
   24   HH12  ARG   4          HH12      ARG   4   3.063   6.408  -4.051
   25   HH21  ARG   4          HH21      ARG   4   3.871   9.104  -1.977
   26   HH22  ARG   4          HH22      ARG   4   3.159   8.624  -3.480
   27    H    CYS   5           H        CYS   5   6.101   0.816   0.594
   28    HA   CYS   5           HA       CYS   5   7.481   0.210   2.966
   29    HB2  CYS   5           HB2      CYS   5   5.397  -0.922   1.983
   30    HB3  CYS   5           HB3      CYS   5   6.517  -1.863   1.003
   31    H    TYR   6           H        TYR   6   8.007  -1.216  -0.264
   32    HA   TYR   6           HA       TYR   6  10.396  -2.502   0.313
   33    HB2  TYR   6           HB2      TYR   6   9.293  -3.056  -1.714
   34    HB3  TYR   6           HB3      TYR   6   9.307  -1.385  -2.267
   35    HD1  TYR   6           HD1      TYR   6  11.996  -3.622  -0.947
   36    HD2  TYR   6           HD2      TYR   6  10.595  -1.233  -4.177
   37    HE1  TYR   6           HE1      TYR   6  14.091  -4.049  -2.163
   38    HE2  TYR   6           HE2      TYR   6  12.686  -1.654  -5.402
   39    HH   TYR   6           HH       TYR   6  14.597  -2.803  -5.443
   40    H    ARG   7           H        ARG   7   9.799   0.831  -0.621
   41    HA   ARG   7           HA       ARG   7  12.370   1.645  -1.272
   42    HB2  ARG   7           HB2      ARG   7   9.982   3.032  -0.127
   43    HB3  ARG   7           HB3      ARG   7  11.513   3.894  -0.195
   44    HG2  ARG   7           HG2      ARG   7  11.605   3.721  -2.560
   45    HG3  ARG   7           HG3      ARG   7  10.253   2.587  -2.590
   46    HD2  ARG   7           HD2      ARG   7   9.640   4.903  -3.256
   47    HD3  ARG   7           HD3      ARG   7   8.728   4.291  -1.876
   48    HE   ARG   7           HE       ARG   7  10.868   5.641  -0.804
   49   HH11  ARG   7          HH11      ARG   7   8.208   6.411  -2.913
   50   HH12  ARG   7          HH12      ARG   7   8.115   8.065  -2.407
   51   HH21  ARG   7          HH21      ARG   7  10.756   7.817  -0.129
   52   HH22  ARG   7          HH22      ARG   7   9.565   8.864  -0.824
   53    H    MET   8           H        MET   8  10.882   1.188   1.881
   54    HA   MET   8           HA       MET   8  12.899   2.420   3.423
   55    HB2  MET   8           HB2      MET   8  10.872   0.286   4.084
   56    HB3  MET   8           HB3      MET   8  11.965   0.967   5.281
   57    HG2  MET   8           HG2      MET   8  10.261   2.782   3.644
   58    HG3  MET   8           HG3      MET   8   9.556   1.908   5.001
   59    HE1  MET   8           HE1      MET   8   9.304   2.598   6.931
   60    HE2  MET   8           HE2      MET   8  10.773   2.663   7.906
   61    HE3  MET   8           HE3      MET   8   9.827   4.128   7.636
   62    H    CYS   9           H        CYS   9  12.570  -0.781   2.049
   63    HA   CYS   9           HA       CYS   9  14.579  -2.072   3.550
   64    HB2  CYS   9           HB2      CYS   9  13.800  -2.707   0.701
   65    HB3  CYS   9           HB3      CYS   9  14.492  -3.804   1.892
   66    H    GLN  10           H        GLN  10  14.674  -0.070   0.675
   67    HA   GLN  10           HA       GLN  10  17.211  -0.646  -0.281
   68    HB2  GLN  10           HB2      GLN  10  15.849   2.052  -0.217
   69    HB3  GLN  10           HB3      GLN  10  17.190   1.603  -1.262
   70    HG2  GLN  10           HG2      GLN  10  14.706  -0.027  -1.357
   71    HG3  GLN  10           HG3      GLN  10  14.710   1.563  -2.118
   72   HE21  GLN  10          HE21      GLN  10  14.261  -0.308  -3.824
   73   HE22  GLN  10          HE22      GLN  10  15.651  -0.731  -4.759
   74    H    ARG  11           H        ARG  11  16.253   1.106   2.553
   75    HA   ARG  11           HA       ARG  11  18.612   2.579   2.998
   76    HB2  ARG  11           HB2      ARG  11  16.646   3.156   4.228
   77    HB3  ARG  11           HB3      ARG  11  16.505   1.530   4.884
   78    HG2  ARG  11           HG2      ARG  11  18.242   1.845   6.385
   79    HG3  ARG  11           HG3      ARG  11  18.914   3.198   5.472
   80    HD2  ARG  11           HD2      ARG  11  16.587   4.295   6.037
   81    HD3  ARG  11           HD3      ARG  11  16.611   3.129   7.360
   82    HE   ARG  11           HE       ARG  11  19.069   4.446   7.336
   83   HH11  ARG  11          HH11      ARG  11  15.708   5.163   7.894
   84   HH12  ARG  11          HH12      ARG  11  16.033   6.460   8.996
   85   HH21  ARG  11          HH21      ARG  11  19.509   6.150   8.786
   86   HH22  ARG  11          HH22      ARG  11  18.196   7.021   9.503
   87    H    TYR  12           H        TYR  12  17.831  -0.761   3.450
   88    HA   TYR  12           HA       TYR  12  20.055  -1.278   5.227
   89    HB2  TYR  12           HB2      TYR  12  18.347  -3.302   3.775
   90    HB3  TYR  12           HB3      TYR  12  19.327  -3.563   5.213
   91    HD1  TYR  12           HD1      TYR  12  18.547  -1.116   6.768
   92    HD2  TYR  12           HD2      TYR  12  16.205  -3.889   4.547
   93    HE1  TYR  12           HE1      TYR  12  16.605  -0.604   8.187
   94    HE2  TYR  12           HE2      TYR  12  14.257  -3.384   5.960
   95    HH   TYR  12           HH       TYR  12  13.652  -2.449   7.996
   96    H    HIS  13           H        HIS  13  22.069  -1.612   4.586
   97    HA   HIS  13           HA       HIS  13  22.745  -1.778   1.809
   98    HB2  HIS  13           HB2      HIS  13  24.294  -1.745   4.374
   99    HB3  HIS  13           HB3      HIS  13  25.101  -2.208   2.878
  100    HD1  HIS  13           HD1      HIS  13  24.087   0.697   4.824
  101    HD2  HIS  13           HD2      HIS  13  25.011  -0.101   0.853
  102    HE1  HIS  13           HE1      HIS  13  24.532   2.938   3.773
  103    H    ASP  14           H        ASP  14  22.264  -4.049   4.380
  104    HA   ASP  14           HA       ASP  14  23.689  -6.219   3.181
  105    HB2  ASP  14           HB2      ASP  14  22.272  -5.730   5.626
  106    HB3  ASP  14           HB3      ASP  14  21.688  -7.231   4.912
  107    H    ARG  15           H        ARG  15  23.089  -7.190   1.369
  108    HA   ARG  15           HA       ARG  15  20.699  -6.885   0.026
  109    HB2  ARG  15           HB2      ARG  15  21.334  -8.858  -1.281
  110    HB3  ARG  15           HB3      ARG  15  22.713  -7.800  -1.017
  111    HG2  ARG  15           HG2      ARG  15  23.472  -9.273   0.798
  112    HG3  ARG  15           HG3      ARG  15  22.113 -10.349   0.468
  113    HD2  ARG  15           HD2      ARG  15  23.143 -10.191  -1.995
  114    HD3  ARG  15           HD3      ARG  15  24.610  -9.909  -1.060
  115    HE   ARG  15           HE       ARG  15  24.607 -12.117  -0.494
  116   HH11  ARG  15          HH11      ARG  15  21.404 -11.229  -1.529
  117   HH12  ARG  15          HH12      ARG  15  20.790 -12.848  -1.456
  118   HH21  ARG  15          HH21      ARG  15  23.811 -14.252  -0.394
  119   HH22  ARG  15          HH22      ARG  15  22.160 -14.567  -0.809
  120    H    ARG  16           H        ARG  16  21.546  -9.181   2.537
  121    HA   ARG  16           HA       ARG  16  19.342 -10.915   2.242
  122    HB2  ARG  16           HB2      ARG  16  21.182 -10.278   4.534
  123    HB3  ARG  16           HB3      ARG  16  19.834 -11.390   4.733
  124    HG2  ARG  16           HG2      ARG  16  20.734 -12.921   3.186
  125    HG3  ARG  16           HG3      ARG  16  21.905 -11.743   2.589
  126    HD2  ARG  16           HD2      ARG  16  21.886 -12.755   5.424
  127    HD3  ARG  16           HD3      ARG  16  22.809 -13.527   4.135
  128    HE   ARG  16           HE       ARG  16  23.496 -10.844   4.110
  129   HH11  ARG  16          HH11      ARG  16  23.707 -13.536   6.307
  130   HH12  ARG  16          HH12      ARG  16  25.140 -12.954   7.089
  131   HH21  ARG  16          HH21      ARG  16  25.382 -10.068   5.131
  132   HH22  ARG  16          HH22      ARG  16  26.091 -10.981   6.419
  133    H    GLU  17           H        GLU  17  19.778  -7.891   3.980
  134    HA   GLU  17           HA       GLU  17  17.319  -8.034   5.419
  135    HB2  GLU  17           HB2      GLU  17  19.411  -5.973   4.946
  136    HB3  GLU  17           HB3      GLU  17  17.825  -5.411   5.455
  137    HG2  GLU  17           HG2      GLU  17  19.363  -7.525   6.933
  138    HG3  GLU  17           HG3      GLU  17  19.502  -5.804   7.286
  139    H    LYS  18           H        LYS  18  18.309  -6.712   2.323
  140    HA   LYS  18           HA       LYS  18  15.986  -5.195   1.799
  141    HB2  LYS  18           HB2      LYS  18  18.331  -6.122   0.300
  142    HB3  LYS  18           HB3      LYS  18  16.883  -5.961  -0.685
  143    HG2  LYS  18           HG2      LYS  18  17.652  -3.734   1.137
  144    HG3  LYS  18           HG3      LYS  18  18.524  -3.953  -0.382
  145    HD2  LYS  18           HD2      LYS  18  15.553  -4.006  -0.462
  146    HD3  LYS  18           HD3      LYS  18  16.345  -2.448  -0.214
  147    HE2  LYS  18           HE2      LYS  18  16.893  -4.357  -2.485
  148    HE3  LYS  18           HE3      LYS  18  15.909  -2.898  -2.589
  149    HZ1  LYS  18           HZ1      LYS  18  18.679  -3.139  -2.879
  150    HZ2  LYS  18           HZ2      LYS  18  18.393  -2.215  -1.491
  151    HZ3  LYS  18           HZ3      LYS  18  17.736  -1.737  -2.976
  152    H    LYS  19           H        LYS  19  16.888  -8.524   0.974
  153    HA   LYS  19           HA       LYS  19  14.578  -9.130  -0.521
  154    HB2  LYS  19           HB2      LYS  19  16.588 -10.502  -0.646
  155    HB3  LYS  19           HB3      LYS  19  16.414 -10.952   1.045
  156    HG2  LYS  19           HG2      LYS  19  15.680 -12.734  -0.451
  157    HG3  LYS  19           HG3      LYS  19  14.353 -12.131   0.546
  158    HD2  LYS  19           HD2      LYS  19  13.599 -10.738  -1.341
  159    HD3  LYS  19           HD3      LYS  19  14.901 -11.401  -2.332
  160    HE2  LYS  19           HE2      LYS  19  13.052 -13.302  -0.988
  161    HE3  LYS  19           HE3      LYS  19  12.449 -12.404  -2.380
  162    HZ1  LYS  19           HZ1      LYS  19  15.050 -13.735  -2.603
  163    HZ2  LYS  19           HZ2      LYS  19  13.882 -13.447  -3.792
  164    HZ3  LYS  19           HZ3      LYS  19  13.656 -14.692  -2.669
  165    H    GLN  20           H        GLN  20  15.398 -10.031   2.834
  166    HA   GLN  20           HA       GLN  20  12.964 -11.171   3.517
  167    HB2  GLN  20           HB2      GLN  20  15.012  -9.721   5.185
  168    HB3  GLN  20           HB3      GLN  20  13.597 -10.490   5.891
  169    HG2  GLN  20           HG2      GLN  20  14.397 -12.601   4.657
  170    HG3  GLN  20           HG3      GLN  20  15.934 -11.749   4.515
  171   HE21  GLN  20          HE21      GLN  20  16.014 -14.036   5.829
  172   HE22  GLN  20          HE22      GLN  20  16.151 -13.792   7.534
  173    H    CYS  21           H        CYS  21  14.008  -7.792   3.825
  174    HA   CYS  21           HA       CYS  21  11.631  -6.848   5.022
  175    HB2  CYS  21           HB2      CYS  21  13.604  -5.508   5.191
  176    HB3  CYS  21           HB3      CYS  21  13.791  -5.452   3.441
  177    H    LYS  22           H        LYS  22  12.663  -7.148   1.663
  178    HA   LYS  22           HA       LYS  22  10.504  -5.746   0.504
  179    HB2  LYS  22           HB2      LYS  22  12.421  -6.115  -0.845
  180    HB3  LYS  22           HB3      LYS  22  12.385  -7.850  -0.555
  181    HG2  LYS  22           HG2      LYS  22  10.818  -8.224  -2.140
  182    HG3  LYS  22           HG3      LYS  22  10.009  -6.679  -1.864
  183    HD2  LYS  22           HD2      LYS  22  11.842  -5.526  -3.021
  184    HD3  LYS  22           HD3      LYS  22  12.627  -7.079  -3.313
  185    HE2  LYS  22           HE2      LYS  22  10.198  -7.601  -4.329
  186    HE3  LYS  22           HE3      LYS  22  10.266  -5.863  -4.613
  187    HZ1  LYS  22           HZ1      LYS  22  11.146  -7.352  -6.436
  188    HZ2  LYS  22           HZ2      LYS  22  12.462  -7.672  -5.423
  189    HZ3  LYS  22           HZ3      LYS  22  12.162  -6.091  -5.944
  190    H    GLU  23           H        GLU  23  11.035  -9.253   0.205
  191    HA   GLU  23           HA       GLU  23   8.421  -9.900  -0.465
  192    HB2  GLU  23           HB2      GLU  23  10.598 -11.335  -0.486
  193    HB3  GLU  23           HB3      GLU  23  10.110 -11.788   1.141
  194    HG2  GLU  23           HG2      GLU  23   8.260 -12.939   0.417
  195    HG3  GLU  23           HG3      GLU  23   8.150 -12.028  -1.088
  196    H    GLY  24           H        GLY  24   9.954  -9.776   2.729
  197    HA2  GLY  24           HA2      GLY  24   7.939 -10.839   4.291
  198    HA3  GLY  24           HA3      GLY  24   9.035  -9.573   4.824
  199    H    CYS  25           H        CYS  25   8.127  -7.644   2.846
  200    HA   CYS  25           HA       CYS  25   5.995  -6.499   4.331
  201    HB2  CYS  25           HB2      CYS  25   7.641  -5.104   3.188
  202    HB3  CYS  25           HB3      CYS  25   7.129  -5.743   1.630
  203    H    ARG  26           H        ARG  26   6.179  -8.294   1.315
  204    HA   ARG  26           HA       ARG  26   3.541  -7.805   0.436
  205    HB2  ARG  26           HB2      ARG  26   5.177 -10.280  -0.124
  206    HB3  ARG  26           HB3      ARG  26   3.883  -9.608  -1.108
  207    HG2  ARG  26           HG2      ARG  26   6.551  -8.308  -0.599
  208    HG3  ARG  26           HG3      ARG  26   6.082  -9.166  -2.068
  209    HD2  ARG  26           HD2      ARG  26   4.082  -7.465  -2.038
  210    HD3  ARG  26           HD3      ARG  26   5.184  -6.515  -1.042
  211    HE   ARG  26           HE       ARG  26   6.360  -6.016  -2.928
  212   HH11  ARG  26          HH11      ARG  26   4.498  -8.899  -3.515
  213   HH12  ARG  26          HH12      ARG  26   4.938  -8.999  -5.188
  214   HH21  ARG  26          HH21      ARG  26   6.945  -6.137  -5.129
  215   HH22  ARG  26          HH22      ARG  26   6.330  -7.428  -6.104
  216    H    TYR  27           H        TYR  27   4.909 -10.711   1.993
  217    HA   TYR  27           HA       TYR  27   2.252 -11.694   2.591
  218    HB2  TYR  27           HB2      TYR  27   5.030 -12.777   3.000
  219    HB3  TYR  27           HB3      TYR  27   3.631 -13.549   3.738
  220    HD1  TYR  27           HD1      TYR  27   1.731 -14.286   2.176
  221    HD2  TYR  27           HD2      TYR  27   5.627 -13.275   0.797
  222    HE1  TYR  27           HE1      TYR  27   1.307 -15.521   0.091
  223    HE2  TYR  27           HE2      TYR  27   5.214 -14.506  -1.291
  224    HH   TYR  27           HH       TYR  27   3.655 -16.475  -1.989
  225    H    GLY  28           H        GLY  28   5.135 -11.388   4.670
  226    HA2  GLY  28           HA2      GLY  28   3.822 -11.395   7.101
  227    HA3  GLY  28           HA3      GLY  28   5.371 -10.616   6.820
  Start of MODEL    6
    1    H    ALA   1           H        ALA   1   0.518  -4.367  -3.578
    2    HA   ALA   1           HA       ALA   1   3.419  -4.693  -3.635
    3    HB1  ALA   1           HB1      ALA   1   3.012  -2.999  -5.772
    4    HB2  ALA   1           HB2      ALA   1   3.475  -4.698  -5.864
    5    HB3  ALA   1           HB3      ALA   1   1.777  -4.239  -5.989
    6    H    ASP   2           H        ASP   2   4.396  -3.082  -2.592
    7    HA   ASP   2           HA       ASP   2   3.085  -0.463  -2.442
    8    HB2  ASP   2           HB2      ASP   2   3.971  -0.480   0.035
    9    HB3  ASP   2           HB3      ASP   2   2.415  -1.205  -0.360
   10    H    ASP   3           H        ASP   3   4.504   0.805  -3.453
   11    HA   ASP   3           HA       ASP   3   7.283   0.329  -3.595
   12    HB2  ASP   3           HB2      ASP   3   6.108   1.642  -5.290
   13    HB3  ASP   3           HB3      ASP   3   5.731   2.878  -4.093
   14    H    ARG   4           H        ARG   4   5.332   2.474  -1.565
   15    HA   ARG   4           HA       ARG   4   7.378   3.880  -0.313
   16    HB2  ARG   4           HB2      ARG   4   5.756   4.180   1.562
   17    HB3  ARG   4           HB3      ARG   4   5.094   4.560  -0.022
   18    HG2  ARG   4           HG2      ARG   4   4.111   2.241  -0.041
   19    HG3  ARG   4           HG3      ARG   4   4.581   2.122   1.655
   20    HD2  ARG   4           HD2      ARG   4   2.700   4.131   0.426
   21    HD3  ARG   4           HD3      ARG   4   2.277   2.810   1.515
   22    HE   ARG   4           HE       ARG   4   4.079   4.299   2.921
   23   HH11  ARG   4          HH11      ARG   4   1.057   4.962   1.324
   24   HH12  ARG   4          HH12      ARG   4   0.615   6.240   2.407
   25   HH21  ARG   4          HH21      ARG   4   3.508   5.979   4.354
   26   HH22  ARG   4          HH22      ARG   4   2.010   6.818   4.130
   27    H    CYS   5           H        CYS   5   5.942   0.752   0.521
   28    HA   CYS   5           HA       CYS   5   7.365   0.361   2.924
   29    HB2  CYS   5           HB2      CYS   5   5.321  -0.913   2.137
   30    HB3  CYS   5           HB3      CYS   5   6.393  -1.817   1.072
   31    H    TYR   6           H        TYR   6   7.920  -1.125  -0.274
   32    HA   TYR   6           HA       TYR   6  10.333  -2.359   0.317
   33    HB2  TYR   6           HB2      TYR   6   9.255  -2.945  -1.713
   34    HB3  TYR   6           HB3      TYR   6   9.225  -1.276  -2.270
   35    HD1  TYR   6           HD1      TYR   6  10.501  -1.117  -4.190
   36    HD2  TYR   6           HD2      TYR   6  11.981  -3.416  -0.930
   37    HE1  TYR   6           HE1      TYR   6  12.604  -1.484  -5.411
   38    HE2  TYR   6           HE2      TYR   6  14.088  -3.788  -2.141
   39    HH   TYR   6           HH       TYR   6  14.473  -3.356  -5.336
   40    H    ARG   7           H        ARG   7   9.669   0.959  -0.617
   41    HA   ARG   7           HA       ARG   7  12.220   1.829  -1.271
   42    HB2  ARG   7           HB2      ARG   7   9.811   3.167  -0.107
   43    HB3  ARG   7           HB3      ARG   7  11.325   4.058  -0.195
   44    HG2  ARG   7           HG2      ARG   7  10.405   2.676  -2.650
   45    HG3  ARG   7           HG3      ARG   7   9.528   4.120  -2.137
   46    HD2  ARG   7           HD2      ARG   7  11.410   5.482  -2.347
   47    HD3  ARG   7           HD3      ARG   7  12.519   4.112  -2.315
   48    HE   ARG   7           HE       ARG   7  10.740   4.135  -4.578
   49   HH11  ARG   7          HH11      ARG   7  13.794   5.218  -3.306
   50   HH12  ARG   7          HH12      ARG   7  14.517   5.431  -4.866
   51   HH21  ARG   7          HH21      ARG   7  11.681   4.410  -6.638
   52   HH22  ARG   7          HH22      ARG   7  13.314   4.971  -6.761
   53    H    MET   8           H        MET   8  10.748   1.340   1.886
   54    HA   MET   8           HA       MET   8  12.747   2.606   3.423
   55    HB2  MET   8           HB2      MET   8  10.829   0.383   4.138
   56    HB3  MET   8           HB3      MET   8  11.834   1.236   5.302
   57    HG2  MET   8           HG2      MET   8  10.018   2.790   3.526
   58    HG3  MET   8           HG3      MET   8   9.354   1.936   4.917
   59    HE1  MET   8           HE1      MET   8   8.778   3.153   6.766
   60    HE2  MET   8           HE2      MET   8   9.428   4.699   7.309
   61    HE3  MET   8           HE3      MET   8   8.542   4.601   5.787
   62    H    CYS   9           H        CYS   9  12.471  -0.599   2.048
   63    HA   CYS   9           HA       CYS   9  14.502  -1.859   3.543
   64    HB2  CYS   9           HB2      CYS   9  13.727  -2.494   0.693
   65    HB3  CYS   9           HB3      CYS   9  14.451  -3.584   1.871
   66    H    GLN  10           H        GLN  10  14.579   0.299   0.822
   67    HA   GLN  10           HA       GLN  10  17.065  -0.246  -0.272
   68    HB2  GLN  10           HB2      GLN  10  15.783   2.467   0.099
   69    HB3  GLN  10           HB3      GLN  10  17.079   2.090  -1.029
   70    HG2  GLN  10           HG2      GLN  10  14.540   0.549  -1.193
   71    HG3  GLN  10           HG3      GLN  10  14.585   2.198  -1.814
   72   HE21  GLN  10          HE21      GLN  10  15.254  -1.036  -2.448
   73   HE22  GLN  10          HE22      GLN  10  16.125  -0.829  -3.926
   74    H    ARG  11           H        ARG  11  16.256   1.252   2.748
   75    HA   ARG  11           HA       ARG  11  18.672   2.610   3.246
   76    HB2  ARG  11           HB2      ARG  11  17.924   2.860   5.455
   77    HB3  ARG  11           HB3      ARG  11  16.445   2.776   4.507
   78    HG2  ARG  11           HG2      ARG  11  16.423   0.291   5.071
   79    HG3  ARG  11           HG3      ARG  11  17.649   0.681   6.280
   80    HD2  ARG  11           HD2      ARG  11  15.874   2.560   6.900
   81    HD3  ARG  11           HD3      ARG  11  14.767   1.386   6.189
   82    HE   ARG  11           HE       ARG  11  16.288  -0.063   7.938
   83   HH11  ARG  11          HH11      ARG  11  14.256   2.754   8.169
   84   HH12  ARG  11          HH12      ARG  11  13.792   2.446   9.810
   85   HH21  ARG  11          HH21      ARG  11  15.686  -0.479  10.098
   86   HH22  ARG  11          HH22      ARG  11  14.607   0.607  10.907
   87    H    TYR  12           H        TYR  12  17.790  -0.736   3.439
   88    HA   TYR  12           HA       TYR  12  20.069  -1.474   5.058
   89    HB2  TYR  12           HB2      TYR  12  17.958  -3.095   3.633
   90    HB3  TYR  12           HB3      TYR  12  19.280  -3.821   4.540
   91    HD1  TYR  12           HD1      TYR  12  15.952  -2.746   4.721
   92    HD2  TYR  12           HD2      TYR  12  19.530  -2.900   7.017
   93    HE1  TYR  12           HE1      TYR  12  14.628  -2.560   6.785
   94    HE2  TYR  12           HE2      TYR  12  18.217  -2.715   9.088
   95    HH   TYR  12           HH       TYR  12  14.723  -2.206   9.008
   96    H    HIS  13           H        HIS  13  21.992  -2.201   4.362
   97    HA   HIS  13           HA       HIS  13  22.498  -2.136   1.489
   98    HB2  HIS  13           HB2      HIS  13  24.306  -2.157   3.902
   99    HB3  HIS  13           HB3      HIS  13  24.922  -2.352   2.264
  100    HD1  HIS  13           HD1      HIS  13  26.241  -0.088   2.793
  101    HD2  HIS  13           HD2      HIS  13  22.110   0.240   2.494
  102    HE1  HIS  13           HE1      HIS  13  25.781   2.366   2.494
  103    H    ASP  14           H        ASP  14  22.332  -4.366   4.147
  104    HA   ASP  14           HA       ASP  14  23.706  -6.513   2.853
  105    HB2  ASP  14           HB2      ASP  14  22.558  -6.011   5.422
  106    HB3  ASP  14           HB3      ASP  14  21.908  -7.528   4.807
  107    H    ARG  15           H        ARG  15  22.973  -7.700   1.230
  108    HA   ARG  15           HA       ARG  15  20.505  -7.460   0.023
  109    HB2  ARG  15           HB2      ARG  15  22.748  -8.725  -0.656
  110    HB3  ARG  15           HB3      ARG  15  21.841 -10.119  -0.085
  111    HG2  ARG  15           HG2      ARG  15  20.006  -9.466  -1.649
  112    HG3  ARG  15           HG3      ARG  15  21.088  -8.234  -2.304
  113    HD2  ARG  15           HD2      ARG  15  21.980 -11.083  -2.132
  114    HD3  ARG  15           HD3      ARG  15  20.932 -10.564  -3.451
  115    HE   ARG  15           HE       ARG  15  22.945  -8.741  -3.467
  116   HH11  ARG  15          HH11      ARG  15  22.821 -12.219  -3.572
  117   HH12  ARG  15          HH12      ARG  15  24.271 -12.373  -4.507
  118   HH21  ARG  15          HH21      ARG  15  24.857  -8.931  -4.698
  119   HH22  ARG  15          HH22      ARG  15  25.429 -10.502  -5.146
  120    H    ARG  16           H        ARG  16  21.481  -9.556   2.661
  121    HA   ARG  16           HA       ARG  16  19.230 -11.254   2.664
  122    HB2  ARG  16           HB2      ARG  16  21.028 -10.434   4.952
  123    HB3  ARG  16           HB3      ARG  16  19.885 -11.770   4.994
  124    HG2  ARG  16           HG2      ARG  16  21.185 -12.659   2.955
  125    HG3  ARG  16           HG3      ARG  16  22.441 -11.526   3.462
  126    HD2  ARG  16           HD2      ARG  16  22.203 -12.603   5.776
  127    HD3  ARG  16           HD3      ARG  16  21.331 -13.888   4.943
  128    HE   ARG  16           HE       ARG  16  23.335 -14.680   4.208
  129   HH11  ARG  16          HH11      ARG  16  23.716 -11.324   5.049
  130   HH12  ARG  16          HH12      ARG  16  25.426 -11.313   4.770
  131   HH21  ARG  16          HH21      ARG  16  25.585 -14.680   3.837
  132   HH22  ARG  16          HH22      ARG  16  26.488 -13.223   4.080
  133    H    GLU  17           H        GLU  17  19.886  -8.170   4.258
  134    HA   GLU  17           HA       GLU  17  17.426  -8.150   5.722
  135    HB2  GLU  17           HB2      GLU  17  19.633  -6.194   5.233
  136    HB3  GLU  17           HB3      GLU  17  18.101  -5.603   5.862
  137    HG2  GLU  17           HG2      GLU  17  19.446  -7.916   7.179
  138    HG3  GLU  17           HG3      GLU  17  20.012  -6.275   7.487
  139    H    LYS  18           H        LYS  18  18.535  -6.859   2.650
  140    HA   LYS  18           HA       LYS  18  16.331  -5.171   2.136
  141    HB2  LYS  18           HB2      LYS  18  18.722  -5.698   0.892
  142    HB3  LYS  18           HB3      LYS  18  17.563  -6.414  -0.220
  143    HG2  LYS  18           HG2      LYS  18  16.955  -3.694   0.764
  144    HG3  LYS  18           HG3      LYS  18  18.317  -3.862  -0.347
  145    HD2  LYS  18           HD2      LYS  18  15.592  -5.018  -0.901
  146    HD3  LYS  18           HD3      LYS  18  16.071  -3.398  -1.410
  147    HE2  LYS  18           HE2      LYS  18  17.428  -5.980  -2.182
  148    HE3  LYS  18           HE3      LYS  18  16.370  -5.017  -3.212
  149    HZ1  LYS  18           HZ1      LYS  18  18.253  -4.061  -3.886
  150    HZ2  LYS  18           HZ2      LYS  18  19.147  -4.632  -2.569
  151    HZ3  LYS  18           HZ3      LYS  18  18.224  -3.223  -2.416
  152    H    LYS  19           H        LYS  19  17.070  -8.414   0.840
  153    HA   LYS  19           HA       LYS  19  14.681  -8.829  -0.510
  154    HB2  LYS  19           HB2      LYS  19  16.724 -10.264  -0.654
  155    HB3  LYS  19           HB3      LYS  19  16.306 -10.945   0.912
  156    HG2  LYS  19           HG2      LYS  19  15.625 -12.408  -0.911
  157    HG3  LYS  19           HG3      LYS  19  14.229 -11.820  -0.003
  158    HD2  LYS  19           HD2      LYS  19  13.584 -10.363  -1.712
  159    HD3  LYS  19           HD3      LYS  19  15.172 -10.415  -2.481
  160    HE2  LYS  19           HE2      LYS  19  13.377 -12.821  -2.280
  161    HE3  LYS  19           HE3      LYS  19  13.311 -11.694  -3.634
  162    HZ1  LYS  19           HZ1      LYS  19  14.733 -13.407  -4.309
  163    HZ2  LYS  19           HZ2      LYS  19  15.550 -13.451  -2.829
  164    HZ3  LYS  19           HZ3      LYS  19  15.773 -12.144  -3.878
  165    H    GLN  20           H        GLN  20  15.523  -9.813   2.809
  166    HA   GLN  20           HA       GLN  20  13.113 -10.999   3.501
  167    HB2  GLN  20           HB2      GLN  20  15.140 -11.113   4.887
  168    HB3  GLN  20           HB3      GLN  20  14.968  -9.408   5.282
  169    HG2  GLN  20           HG2      GLN  20  12.703 -10.012   6.249
  170    HG3  GLN  20           HG3      GLN  20  13.212 -11.694   6.110
  171   HE21  GLN  20          HE21      GLN  20  12.850  -9.393   8.275
  172   HE22  GLN  20          HE22      GLN  20  14.159  -9.729   9.352
  173    H    CYS  21           H        CYS  21  14.091  -7.600   3.797
  174    HA   CYS  21           HA       CYS  21  11.700  -6.701   5.002
  175    HB2  CYS  21           HB2      CYS  21  13.659  -5.330   5.159
  176    HB3  CYS  21           HB3      CYS  21  13.820  -5.258   3.408
  177    H    LYS  22           H        LYS  22  12.732  -6.975   1.640
  178    HA   LYS  22           HA       LYS  22  10.540  -5.621   0.489
  179    HB2  LYS  22           HB2      LYS  22  12.471  -5.946  -0.858
  180    HB3  LYS  22           HB3      LYS  22  12.458  -7.684  -0.584
  181    HG2  LYS  22           HG2      LYS  22  10.919  -8.063  -2.188
  182    HG3  LYS  22           HG3      LYS  22  10.057  -6.555  -1.872
  183    HD2  LYS  22           HD2      LYS  22  12.423  -5.630  -2.846
  184    HD3  LYS  22           HD3      LYS  22  12.236  -7.131  -3.756
  185    HE2  LYS  22           HE2      LYS  22   9.964  -5.195  -3.508
  186    HE3  LYS  22           HE3      LYS  22  11.230  -4.945  -4.708
  187    HZ1  LYS  22           HZ1      LYS  22  10.441  -6.580  -5.981
  188    HZ2  LYS  22           HZ2      LYS  22   9.022  -6.453  -5.071
  189    HZ3  LYS  22           HZ3      LYS  22  10.178  -7.623  -4.675
  190    H    GLU  23           H        GLU  23  11.149  -9.111   0.162
  191    HA   GLU  23           HA       GLU  23   8.547  -9.813  -0.493
  192    HB2  GLU  23           HB2      GLU  23  10.646 -11.234  -0.666
  193    HB3  GLU  23           HB3      GLU  23  10.435 -11.595   1.041
  194    HG2  GLU  23           HG2      GLU  23   8.652 -12.947   0.683
  195    HG3  GLU  23           HG3      GLU  23   8.107 -12.042  -0.728
  196    H    GLY  24           H        GLY  24  10.101  -9.685   2.690
  197    HA2  GLY  24           HA2      GLY  24   8.124 -10.807   4.258
  198    HA3  GLY  24           HA3      GLY  24   9.193  -9.520   4.794
  199    H    CYS  25           H        CYS  25   8.226  -7.593   2.845
  200    HA   CYS  25           HA       CYS  25   6.004  -6.594   4.346
  201    HB2  CYS  25           HB2      CYS  25   7.667  -5.058   3.448
  202    HB3  CYS  25           HB3      CYS  25   7.302  -5.583   1.808
  203    H    ARG  26           H        ARG  26   6.436  -8.115   1.207
  204    HA   ARG  26           HA       ARG  26   3.834  -7.620   0.216
  205    HB2  ARG  26           HB2      ARG  26   5.548  -8.233  -1.333
  206    HB3  ARG  26           HB3      ARG  26   5.893  -9.719  -0.457
  207    HG2  ARG  26           HG2      ARG  26   4.183 -10.839  -1.407
  208    HG3  ARG  26           HG3      ARG  26   3.138  -9.417  -1.459
  209    HD2  ARG  26           HD2      ARG  26   3.958  -8.719  -3.478
  210    HD3  ARG  26           HD3      ARG  26   5.534  -9.466  -3.218
  211    HE   ARG  26           HE       ARG  26   3.451 -11.398  -3.506
  212   HH11  ARG  26          HH11      ARG  26   5.588  -9.282  -5.259
  213   HH12  ARG  26          HH12      ARG  26   5.569 -10.243  -6.700
  214   HH21  ARG  26          HH21      ARG  26   3.418 -12.672  -5.398
  215   HH22  ARG  26          HH22      ARG  26   4.334 -12.170  -6.779
  216    H    TYR  27           H        TYR  27   5.239 -10.282   2.067
  217    HA   TYR  27           HA       TYR  27   2.715 -11.717   2.097
  218    HB2  TYR  27           HB2      TYR  27   5.503 -12.293   2.991
  219    HB3  TYR  27           HB3      TYR  27   4.186 -13.178   3.752
  220    HD1  TYR  27           HD1      TYR  27   2.365 -13.987   1.850
  221    HD2  TYR  27           HD2      TYR  27   6.545 -13.425   1.285
  222    HE1  TYR  27           HE1      TYR  27   2.313 -15.550  -0.049
  223    HE2  TYR  27           HE2      TYR  27   6.504 -14.985  -0.616
  224    HH   TYR  27           HH       TYR  27   5.271 -16.358  -1.844
  225    H    GLY  28           H        GLY  28   4.967 -10.825   4.718
  226    HA2  GLY  28           HA2      GLY  28   3.568  -9.142   6.254
  227    HA3  GLY  28           HA3      GLY  28   2.729 -10.654   6.568
  Start of MODEL    7
    1    H    ALA   1           H        ALA   1  10.608   3.693  -6.324
    2    HA   ALA   1           HA       ALA   1   9.288   1.114  -6.810
    3    HB1  ALA   1           HB1      ALA   1   9.774   0.814  -4.214
    4    HB2  ALA   1           HB2      ALA   1  10.902   0.263  -5.454
    5    HB3  ALA   1           HB3      ALA   1  11.178   1.798  -4.630
    6    H    ASP   2           H        ASP   2   7.198   1.649  -6.839
    7    HA   ASP   2           HA       ASP   2   6.057   3.856  -5.523
    8    HB2  ASP   2           HB2      ASP   2   4.800   1.340  -6.631
    9    HB3  ASP   2           HB3      ASP   2   3.872   2.711  -6.029
   10    H    ASP   3           H        ASP   3   6.440   0.492  -4.580
   11    HA   ASP   3           HA       ASP   3   4.752   0.551  -2.318
   12    HB2  ASP   3           HB2      ASP   3   5.876  -1.460  -3.571
   13    HB3  ASP   3           HB3      ASP   3   7.186  -1.194  -2.423
   14    H    ARG   4           H        ARG   4   5.015   2.054  -0.784
   15    HA   ARG   4           HA       ARG   4   7.390   3.325  -0.077
   16    HB2  ARG   4           HB2      ARG   4   6.183   3.940   2.033
   17    HB3  ARG   4           HB3      ARG   4   5.299   4.298   0.556
   18    HG2  ARG   4           HG2      ARG   4   3.933   2.316   0.864
   19    HG3  ARG   4           HG3      ARG   4   4.848   1.896   2.313
   20    HD2  ARG   4           HD2      ARG   4   2.676   3.002   2.789
   21    HD3  ARG   4           HD3      ARG   4   4.069   3.862   3.446
   22    HE   ARG   4           HE       ARG   4   3.226   4.784   0.851
   23   HH11  ARG   4          HH11      ARG   4   2.817   5.102   4.293
   24   HH12  ARG   4          HH12      ARG   4   2.197   6.717   4.202
   25   HH21  ARG   4          HH21      ARG   4   2.410   6.910   0.718
   26   HH22  ARG   4          HH22      ARG   4   1.965   7.744   2.168
   27    H    CYS   5           H        CYS   5   5.936   0.362   1.137
   28    HA   CYS   5           HA       CYS   5   7.539  -0.013   3.400
   29    HB2  CYS   5           HB2      CYS   5   5.491  -1.400   2.183
   30    HB3  CYS   5           HB3      CYS   5   6.864  -2.482   1.977
   31    H    TYR   6           H        TYR   6   7.894  -1.662   0.255
   32    HA   TYR   6           HA       TYR   6  10.391  -2.773   0.731
   33    HB2  TYR   6           HB2      TYR   6   9.155  -3.539  -1.151
   34    HB3  TYR   6           HB3      TYR   6   9.053  -1.920  -1.835
   35    HD1  TYR   6           HD1      TYR   6  11.871  -4.054  -0.601
   36    HD2  TYR   6           HD2      TYR   6  10.248  -1.758  -3.794
   37    HE1  TYR   6           HE1      TYR   6  13.887  -4.498  -1.937
   38    HE2  TYR   6           HE2      TYR   6  12.260  -2.197  -5.140
   39    HH   TYR   6           HH       TYR   6  14.799  -4.365  -3.995
   40    H    ARG   7           H        ARG   7   9.531   0.443  -0.380
   41    HA   ARG   7           HA       ARG   7  11.982   1.338  -1.318
   42    HB2  ARG   7           HB2      ARG   7   9.591   2.643  -0.124
   43    HB3  ARG   7           HB3      ARG   7  11.061   3.600  -0.237
   44    HG2  ARG   7           HG2      ARG   7   9.982   2.131  -2.612
   45    HG3  ARG   7           HG3      ARG   7   9.374   3.724  -2.158
   46    HD2  ARG   7           HD2      ARG   7  11.901   4.363  -2.108
   47    HD3  ARG   7           HD3      ARG   7  12.091   2.930  -3.117
   48    HE   ARG   7           HE       ARG   7  10.065   4.398  -4.268
   49   HH11  ARG   7          HH11      ARG   7  13.423   4.889  -3.492
   50   HH12  ARG   7          HH12      ARG   7  13.700   5.989  -4.801
   51   HH21  ARG   7          HH21      ARG   7  10.417   5.846  -5.996
   52   HH22  ARG   7          HH22      ARG   7  11.989   6.534  -6.224
   53    H    MET   8           H        MET   8  10.801   1.057   1.986
   54    HA   MET   8           HA       MET   8  12.885   2.485   3.241
   55    HB2  MET   8           HB2      MET   8  10.695   1.855   4.290
   56    HB3  MET   8           HB3      MET   8  11.287   0.204   4.411
   57    HG2  MET   8           HG2      MET   8  13.010   0.851   5.921
   58    HG3  MET   8           HG3      MET   8  12.669   2.561   5.661
   59    HE1  MET   8           HE1      MET   8  11.035   3.806   6.341
   60    HE2  MET   8           HE2      MET   8   9.433   3.263   6.838
   61    HE3  MET   8           HE3      MET   8  10.637   3.687   8.055
   62    H    CYS   9           H        CYS   9  12.590  -0.825   2.146
   63    HA   CYS   9           HA       CYS   9  14.784  -1.910   3.546
   64    HB2  CYS   9           HB2      CYS   9  13.781  -2.794   0.837
   65    HB3  CYS   9           HB3      CYS   9  14.639  -3.766   2.028
   66    H    GLN  10           H        GLN  10  14.551   0.024   0.671
   67    HA   GLN  10           HA       GLN  10  16.946  -0.547  -0.600
   68    HB2  GLN  10           HB2      GLN  10  15.133   0.970  -1.439
   69    HB3  GLN  10           HB3      GLN  10  15.726   2.203  -0.334
   70    HG2  GLN  10           HG2      GLN  10  17.648   2.558  -1.539
   71    HG3  GLN  10           HG3      GLN  10  17.609   0.957  -2.276
   72   HE21  GLN  10          HE21      GLN  10  18.079   2.383  -4.178
   73   HE22  GLN  10          HE22      GLN  10  16.724   2.984  -5.064
   74    H    ARG  11           H        ARG  11  16.361   1.172   2.353
   75    HA   ARG  11           HA       ARG  11  18.769   2.622   2.521
   76    HB2  ARG  11           HB2      ARG  11  18.223   3.014   4.776
   77    HB3  ARG  11           HB3      ARG  11  16.672   2.861   3.960
   78    HG2  ARG  11           HG2      ARG  11  16.193   1.486   5.662
   79    HG3  ARG  11           HG3      ARG  11  17.089   0.301   4.710
   80    HD2  ARG  11           HD2      ARG  11  18.164   0.075   6.710
   81    HD3  ARG  11           HD3      ARG  11  19.144   1.353   5.993
   82    HE   ARG  11           HE       ARG  11  16.929   2.302   7.573
   83   HH11  ARG  11          HH11      ARG  11  20.266   1.309   7.589
   84   HH12  ARG  11          HH12      ARG  11  20.655   2.187   9.031
   85   HH21  ARG  11          HH21      ARG  11  17.429   3.462   9.472
   86   HH22  ARG  11          HH22      ARG  11  19.041   3.410  10.102
   87    H    TYR  12           H        TYR  12  18.031  -0.719   2.999
   88    HA   TYR  12           HA       TYR  12  20.439  -1.281   4.498
   89    HB2  TYR  12           HB2      TYR  12  18.196  -2.958   3.407
   90    HB3  TYR  12           HB3      TYR  12  19.669  -3.710   4.009
   91    HD1  TYR  12           HD1      TYR  12  16.493  -3.262   4.932
   92    HD2  TYR  12           HD2      TYR  12  20.369  -2.251   6.366
   93    HE1  TYR  12           HE1      TYR  12  15.608  -3.144   7.223
   94    HE2  TYR  12           HE2      TYR  12  19.495  -2.131   8.661
   95    HH   TYR  12           HH       TYR  12  16.883  -3.451   9.707
   96    H    HIS  13           H        HIS  13  22.364  -1.510   3.597
   97    HA   HIS  13           HA       HIS  13  22.685  -1.702   0.754
   98    HB2  HIS  13           HB2      HIS  13  24.678  -1.763   3.025
   99    HB3  HIS  13           HB3      HIS  13  25.133  -1.801   1.324
  100    HD1  HIS  13           HD1      HIS  13  25.011   0.497   3.937
  101    HD2  HIS  13           HD2      HIS  13  23.677   0.613   0.004
  102    HE1  HIS  13           HE1      HIS  13  24.793   2.938   3.373
  103    H    ASP  14           H        ASP  14  22.729  -3.916   3.435
  104    HA   ASP  14           HA       ASP  14  24.045  -6.050   2.061
  105    HB2  ASP  14           HB2      ASP  14  23.059  -5.550   4.702
  106    HB3  ASP  14           HB3      ASP  14  22.419  -7.092   4.140
  107    H    ARG  15           H        ARG  15  23.205  -7.150   0.429
  108    HA   ARG  15           HA       ARG  15  20.617  -6.994  -0.516
  109    HB2  ARG  15           HB2      ARG  15  21.117  -9.044  -1.797
  110    HB3  ARG  15           HB3      ARG  15  22.430  -7.876  -1.867
  111    HG2  ARG  15           HG2      ARG  15  23.464  -9.214   0.058
  112    HG3  ARG  15           HG3      ARG  15  22.306 -10.471  -0.380
  113    HD2  ARG  15           HD2      ARG  15  24.270 -10.999  -1.559
  114    HD3  ARG  15           HD3      ARG  15  23.199 -10.257  -2.747
  115    HE   ARG  15           HE       ARG  15  24.796  -8.246  -1.663
  116   HH11  ARG  15          HH11      ARG  15  25.140 -11.112  -3.609
  117   HH12  ARG  15          HH12      ARG  15  26.532 -10.526  -4.459
  118   HH21  ARG  15          HH21      ARG  15  26.628  -7.463  -2.774
  119   HH22  ARG  15          HH22      ARG  15  27.378  -8.451  -3.983
  120    H    ARG  16           H        ARG  16  21.973  -9.186   1.873
  121    HA   ARG  16           HA       ARG  16  19.794 -10.970   2.026
  122    HB2  ARG  16           HB2      ARG  16  21.727 -10.245   4.233
  123    HB3  ARG  16           HB3      ARG  16  20.759 -11.709   4.122
  124    HG2  ARG  16           HG2      ARG  16  22.011 -12.189   1.963
  125    HG3  ARG  16           HG3      ARG  16  23.118 -10.905   2.454
  126    HD2  ARG  16           HD2      ARG  16  23.332 -12.172   4.659
  127    HD3  ARG  16           HD3      ARG  16  22.551 -13.516   3.827
  128    HE   ARG  16           HE       ARG  16  24.594 -12.865   2.176
  129   HH11  ARG  16          HH11      ARG  16  24.394 -13.587   5.576
  130   HH12  ARG  16          HH12      ARG  16  25.988 -14.263   5.659
  131   HH21  ARG  16          HH21      ARG  16  26.693 -13.752   2.273
  132   HH22  ARG  16          HH22      ARG  16  27.295 -14.355   3.780
  133    H    GLU  17           H        GLU  17  20.577  -8.016   3.818
  134    HA   GLU  17           HA       GLU  17  18.388  -8.147   5.602
  135    HB2  GLU  17           HB2      GLU  17  20.133  -5.874   4.670
  136    HB3  GLU  17           HB3      GLU  17  18.833  -5.640   5.829
  137    HG2  GLU  17           HG2      GLU  17  19.876  -7.087   7.407
  138    HG3  GLU  17           HG3      GLU  17  21.082  -7.594   6.226
  139    H    LYS  18           H        LYS  18  18.791  -6.786   2.390
  140    HA   LYS  18           HA       LYS  18  16.390  -5.303   2.308
  141    HB2  LYS  18           HB2      LYS  18  18.060  -6.520   0.105
  142    HB3  LYS  18           HB3      LYS  18  16.686  -5.462  -0.187
  143    HG2  LYS  18           HG2      LYS  18  18.328  -4.128   1.659
  144    HG3  LYS  18           HG3      LYS  18  19.397  -4.785   0.418
  145    HD2  LYS  18           HD2      LYS  18  16.935  -3.120  -0.109
  146    HD3  LYS  18           HD3      LYS  18  18.594  -2.516  -0.125
  147    HE2  LYS  18           HE2      LYS  18  18.980  -4.422  -1.855
  148    HE3  LYS  18           HE3      LYS  18  17.227  -4.368  -2.036
  149    HZ1  LYS  18           HZ1      LYS  18  19.237  -2.416  -2.832
  150    HZ2  LYS  18           HZ2      LYS  18  17.781  -1.795  -2.239
  151    HZ3  LYS  18           HZ3      LYS  18  17.775  -2.830  -3.576
  152    H    LYS  19           H        LYS  19  17.175  -8.630   1.405
  153    HA   LYS  19           HA       LYS  19  14.727  -9.307   0.224
  154    HB2  LYS  19           HB2      LYS  19  16.603 -10.761  -0.065
  155    HB3  LYS  19           HB3      LYS  19  16.780 -10.980   1.671
  156    HG2  LYS  19           HG2      LYS  19  15.291 -12.636   1.724
  157    HG3  LYS  19           HG3      LYS  19  14.157 -11.771   0.684
  158    HD2  LYS  19           HD2      LYS  19  16.539 -12.681  -0.730
  159    HD3  LYS  19           HD3      LYS  19  15.613 -14.002  -0.014
  160    HE2  LYS  19           HE2      LYS  19  13.586 -12.686  -1.075
  161    HE3  LYS  19           HE3      LYS  19  14.845 -12.068  -2.143
  162    HZ1  LYS  19           HZ1      LYS  19  14.104 -14.909  -1.715
  163    HZ2  LYS  19           HZ2      LYS  19  15.456 -14.412  -2.601
  164    HZ3  LYS  19           HZ3      LYS  19  13.901 -14.003  -3.129
  165    H    GLN  20           H        GLN  20  15.846  -9.898   3.559
  166    HA   GLN  20           HA       GLN  20  13.512 -11.014   4.557
  167    HB2  GLN  20           HB2      GLN  20  15.856 -10.685   5.649
  168    HB3  GLN  20           HB3      GLN  20  15.178  -9.175   6.241
  169    HG2  GLN  20           HG2      GLN  20  13.327 -10.481   7.265
  170    HG3  GLN  20           HG3      GLN  20  14.170 -11.955   6.789
  171   HE21  GLN  20          HE21      GLN  20  16.282 -12.330   7.686
  172   HE22  GLN  20          HE22      GLN  20  16.680 -11.692   9.241
  173    H    CYS  21           H        CYS  21  14.475  -7.600   4.428
  174    HA   CYS  21           HA       CYS  21  12.188  -6.585   5.733
  175    HB2  CYS  21           HB2      CYS  21  14.131  -5.196   5.570
  176    HB3  CYS  21           HB3      CYS  21  14.145  -5.318   3.814
  177    H    LYS  22           H        LYS  22  12.945  -7.111   2.316
  178    HA   LYS  22           HA       LYS  22  10.633  -5.928   1.243
  179    HB2  LYS  22           HB2      LYS  22  12.438  -6.375  -0.233
  180    HB3  LYS  22           HB3      LYS  22  12.483  -8.075   0.217
  181    HG2  LYS  22           HG2      LYS  22  10.843  -8.636  -1.215
  182    HG3  LYS  22           HG3      LYS  22   9.946  -7.139  -0.943
  183    HD2  LYS  22           HD2      LYS  22  12.316  -6.376  -2.222
  184    HD3  LYS  22           HD3      LYS  22  11.767  -7.824  -3.068
  185    HE2  LYS  22           HE2      LYS  22   9.579  -6.814  -3.407
  186    HE3  LYS  22           HE3      LYS  22  10.083  -5.383  -2.509
  187    HZ1  LYS  22           HZ1      LYS  22  11.987  -5.499  -4.358
  188    HZ2  LYS  22           HZ2      LYS  22  10.550  -4.632  -4.561
  189    HZ3  LYS  22           HZ3      LYS  22  10.707  -6.177  -5.231
  190    H    GLU  23           H        GLU  23  11.335  -9.379   1.820
  191    HA   GLU  23           HA       GLU  23   8.749 -10.292   1.190
  192    HB2  GLU  23           HB2      GLU  23  10.808 -11.710   1.311
  193    HB3  GLU  23           HB3      GLU  23  10.732 -11.594   3.063
  194    HG2  GLU  23           HG2      GLU  23   8.735 -12.830   3.164
  195    HG3  GLU  23           HG3      GLU  23   8.457 -12.670   1.431
  196    H    GLY  24           H        GLY  24  10.200  -9.186   4.200
  197    HA2  GLY  24           HA2      GLY  24   8.086 -10.014   5.907
  198    HA3  GLY  24           HA3      GLY  24   9.305  -8.806   6.283
  199    H    CYS  25           H        CYS  25   8.712  -7.034   4.123
  200    HA   CYS  25           HA       CYS  25   6.660  -5.502   5.319
  201    HB2  CYS  25           HB2      CYS  25   8.541  -5.214   3.122
  202    HB3  CYS  25           HB3      CYS  25   6.973  -4.517   2.730
  203    H    ARG  26           H        ARG  26   6.762  -7.462   2.365
  204    HA   ARG  26           HA       ARG  26   4.095  -6.884   1.577
  205    HB2  ARG  26           HB2      ARG  26   4.374  -8.638  -0.053
  206    HB3  ARG  26           HB3      ARG  26   5.864  -7.708   0.034
  207    HG2  ARG  26           HG2      ARG  26   6.952  -9.422   1.278
  208    HG3  ARG  26           HG3      ARG  26   5.439 -10.306   1.487
  209    HD2  ARG  26           HD2      ARG  26   6.974 -11.226  -0.269
  210    HD3  ARG  26           HD3      ARG  26   5.344 -10.850  -0.825
  211    HE   ARG  26           HE       ARG  26   7.186  -8.695  -1.230
  212   HH11  ARG  26          HH11      ARG  26   5.997 -11.695  -2.538
  213   HH12  ARG  26          HH12      ARG  26   6.421 -11.302  -4.171
  214   HH21  ARG  26          HH21      ARG  26   7.750  -8.167  -3.376
  215   HH22  ARG  26          HH22      ARG  26   7.419  -9.295  -4.647
  216    H    TYR  27           H        TYR  27   2.253  -8.233   1.663
  217    HA   TYR  27           HA       TYR  27   2.098  -9.788   4.111
  218    HB2  TYR  27           HB2      TYR  27   0.024  -8.828   2.141
  219    HB3  TYR  27           HB3      TYR  27  -0.367  -9.891   3.489
  220    HD1  TYR  27           HD1      TYR  27  -0.456  -6.607   2.482
  221    HD2  TYR  27           HD2      TYR  27   0.754  -8.965   5.810
  222    HE1  TYR  27           HE1      TYR  27  -0.695  -4.647   3.949
  223    HE2  TYR  27           HE2      TYR  27   0.517  -7.012   7.287
  224    HH   TYR  27           HH       TYR  27  -0.426  -3.839   6.001
  225    H    GLY  28           H        GLY  28   1.248 -10.278   0.679
  226    HA2  GLY  28           HA2      GLY  28   1.866 -12.245  -0.525
  227    HA3  GLY  28           HA3      GLY  28   1.951 -13.113   1.001
  Start of MODEL    8
    1    H    ALA   1           H        ALA   1   4.514  -3.770  -8.789
    2    HA   ALA   1           HA       ALA   1   5.700  -1.188  -9.046
    3    HB1  ALA   1           HB1      ALA   1   3.703  -0.397  -8.385
    4    HB2  ALA   1           HB2      ALA   1   3.167  -2.056  -8.654
    5    HB3  ALA   1           HB3      ALA   1   3.589  -1.518  -7.028
    6    H    ASP   2           H        ASP   2   6.854  -0.004  -7.613
    7    HA   ASP   2           HA       ASP   2   8.064  -1.394  -5.400
    8    HB2  ASP   2           HB2      ASP   2   8.405   1.377  -6.542
    9    HB3  ASP   2           HB3      ASP   2   9.251   0.844  -5.092
   10    H    ASP   3           H        ASP   3   7.069  -1.572  -3.511
   11    HA   ASP   3           HA       ASP   3   4.941   0.157  -2.710
   12    HB2  ASP   3           HB2      ASP   3   5.435  -2.362  -2.104
   13    HB3  ASP   3           HB3      ASP   3   6.335  -1.645  -0.771
   14    H    ARG   4           H        ARG   4   4.884   1.495  -0.826
   15    HA   ARG   4           HA       ARG   4   6.999   3.303  -0.627
   16    HB2  ARG   4           HB2      ARG   4   4.523   2.775   0.939
   17    HB3  ARG   4           HB3      ARG   4   5.749   3.800   1.673
   18    HG2  ARG   4           HG2      ARG   4   5.686   5.167  -0.457
   19    HG3  ARG   4           HG3      ARG   4   4.234   4.255  -0.877
   20    HD2  ARG   4           HD2      ARG   4   4.633   5.946   1.589
   21    HD3  ARG   4           HD3      ARG   4   3.652   6.366   0.185
   22    HE   ARG   4           HE       ARG   4   2.770   3.911   1.229
   23   HH11  ARG   4          HH11      ARG   4   2.818   7.303   2.009
   24   HH12  ARG   4          HH12      ARG   4   1.368   7.239   2.957
   25   HH21  ARG   4          HH21      ARG   4   0.860   3.814   2.474
   26   HH22  ARG   4          HH22      ARG   4   0.256   5.254   3.221
   27    H    CYS   5           H        CYS   5   5.979   0.830   1.733
   28    HA   CYS   5           HA       CYS   5   8.022   1.200   3.577
   29    HB2  CYS   5           HB2      CYS   5   7.583  -1.198   4.218
   30    HB3  CYS   5           HB3      CYS   5   6.153  -0.171   4.165
   31    H    TYR   6           H        TYR   6   7.961  -0.742   0.634
   32    HA   TYR   6           HA       TYR   6  10.354  -2.138   0.992
   33    HB2  TYR   6           HB2      TYR   6   8.893  -2.817  -0.765
   34    HB3  TYR   6           HB3      TYR   6   8.926  -1.220  -1.503
   35    HD1  TYR   6           HD1      TYR   6   9.981  -1.269  -3.549
   36    HD2  TYR   6           HD2      TYR   6  11.571  -3.616  -0.375
   37    HE1  TYR   6           HE1      TYR   6  11.829  -1.979  -5.008
   38    HE2  TYR   6           HE2      TYR   6  13.424  -4.331  -1.825
   39    HH   TYR   6           HH       TYR   6  13.570  -3.372  -5.229
   40    H    ARG   7           H        ARG   7   9.730   1.110  -0.192
   41    HA   ARG   7           HA       ARG   7  12.200   1.713  -1.314
   42    HB2  ARG   7           HB2      ARG   7  10.428   3.588   0.262
   43    HB3  ARG   7           HB3      ARG   7  11.650   4.052  -0.914
   44    HG2  ARG   7           HG2      ARG   7  10.214   2.543  -2.516
   45    HG3  ARG   7           HG3      ARG   7   8.946   2.897  -1.340
   46    HD2  ARG   7           HD2      ARG   7  10.635   5.023  -2.639
   47    HD3  ARG   7           HD3      ARG   7   9.100   4.471  -3.307
   48    HE   ARG   7           HE       ARG   7   8.537   5.140  -0.715
   49   HH11  ARG   7          HH11      ARG   7   9.909   6.782  -3.461
   50   HH12  ARG   7          HH12      ARG   7   9.324   8.342  -2.985
   51   HH21  ARG   7          HH21      ARG   7   7.761   7.188  -0.078
   52   HH22  ARG   7          HH22      ARG   7   8.103   8.572  -1.060
   53    H    MET   8           H        MET   8  11.191   1.664   2.052
   54    HA   MET   8           HA       MET   8  13.441   2.972   3.139
   55    HB2  MET   8           HB2      MET   8  11.492   0.993   4.316
   56    HB3  MET   8           HB3      MET   8  12.765   1.755   5.260
   57    HG2  MET   8           HG2      MET   8  11.822   3.900   4.980
   58    HG3  MET   8           HG3      MET   8  10.721   3.330   3.728
   59    HE1  MET   8           HE1      MET   8   9.288   4.963   6.465
   60    HE2  MET   8           HE2      MET   8   9.810   4.060   7.887
   61    HE3  MET   8           HE3      MET   8  11.007   4.705   6.764
   62    H    CYS   9           H        CYS   9  12.861  -0.325   2.145
   63    HA   CYS   9           HA       CYS   9  15.020  -1.548   3.482
   64    HB2  CYS   9           HB2      CYS   9  13.853  -2.393   0.826
   65    HB3  CYS   9           HB3      CYS   9  14.685  -3.409   1.998
   66    H    GLN  10           H        GLN  10  14.829   0.366   0.593
   67    HA   GLN  10           HA       GLN  10  17.121  -0.401  -0.761
   68    HB2  GLN  10           HB2      GLN  10  15.359   1.283  -1.482
   69    HB3  GLN  10           HB3      GLN  10  16.211   2.462  -0.493
   70    HG2  GLN  10           HG2      GLN  10  18.062   2.483  -1.877
   71    HG3  GLN  10           HG3      GLN  10  17.674   0.916  -2.586
   72   HE21  GLN  10          HE21      GLN  10  18.282   3.398  -3.931
   73   HE22  GLN  10          HE22      GLN  10  16.908   3.781  -4.907
   74    H    ARG  11           H        ARG  11  16.787   1.380   2.195
   75    HA   ARG  11           HA       ARG  11  19.305   2.640   2.255
   76    HB2  ARG  11           HB2      ARG  11  18.882   3.080   4.532
   77    HB3  ARG  11           HB3      ARG  11  17.298   3.062   3.770
   78    HG2  ARG  11           HG2      ARG  11  16.778   1.754   5.521
   79    HG3  ARG  11           HG3      ARG  11  17.479   0.487   4.513
   80    HD2  ARG  11           HD2      ARG  11  18.591   0.147   6.497
   81    HD3  ARG  11           HD3      ARG  11  19.711   1.218   5.655
   82    HE   ARG  11           HE       ARG  11  19.363   2.761   7.294
   83   HH11  ARG  11          HH11      ARG  11  16.674   0.549   7.271
   84   HH12  ARG  11          HH12      ARG  11  15.924   1.242   8.671
   85   HH21  ARG  11          HH21      ARG  11  18.385   3.682   9.137
   86   HH22  ARG  11          HH22      ARG  11  16.898   3.024   9.731
   87    H    TYR  12           H        TYR  12  18.322  -0.629   2.815
   88    HA   TYR  12           HA       TYR  12  20.745  -1.363   4.214
   89    HB2  TYR  12           HB2      TYR  12  18.399  -2.953   3.177
   90    HB3  TYR  12           HB3      TYR  12  19.800  -3.706   3.930
   91    HD1  TYR  12           HD1      TYR  12  20.391  -2.983   6.317
   92    HD2  TYR  12           HD2      TYR  12  16.641  -2.144   4.489
   93    HE1  TYR  12           HE1      TYR  12  19.395  -2.626   8.538
   94    HE2  TYR  12           HE2      TYR  12  15.635  -1.784   6.705
   95    HH   TYR  12           HH       TYR  12  16.822  -1.041   9.166
   96    H    HIS  13           H        HIS  13  22.580  -2.026   3.312
   97    HA   HIS  13           HA       HIS  13  22.750  -2.220   0.426
   98    HB2  HIS  13           HB2      HIS  13  24.715  -2.035   2.669
   99    HB3  HIS  13           HB3      HIS  13  25.257  -2.694   1.128
  100    HD1  HIS  13           HD1      HIS  13  25.138  -1.061  -0.947
  101    HD2  HIS  13           HD2      HIS  13  24.426   0.703   2.747
  102    HE1  HIS  13           HE1      HIS  13  25.355   1.414  -1.331
  103    H    ASP  14           H        ASP  14  22.866  -4.321   3.212
  104    HA   ASP  14           HA       ASP  14  23.900  -6.596   1.822
  105    HB2  ASP  14           HB2      ASP  14  23.245  -5.917   4.517
  106    HB3  ASP  14           HB3      ASP  14  22.412  -7.413   4.107
  107    H    ARG  15           H        ARG  15  22.784  -7.452   0.188
  108    HA   ARG  15           HA       ARG  15  20.081  -7.237  -0.324
  109    HB2  ARG  15           HB2      ARG  15  21.993  -8.154  -1.805
  110    HB3  ARG  15           HB3      ARG  15  21.622  -9.708  -1.070
  111    HG2  ARG  15           HG2      ARG  15  19.386  -8.152  -2.249
  112    HG3  ARG  15           HG3      ARG  15  20.524  -8.946  -3.339
  113    HD2  ARG  15           HD2      ARG  15  19.369 -10.485  -1.060
  114    HD3  ARG  15           HD3      ARG  15  18.380 -10.196  -2.491
  115    HE   ARG  15           HE       ARG  15  20.953 -11.217  -3.167
  116   HH11  ARG  15          HH11      ARG  15  17.801 -12.123  -1.999
  117   HH12  ARG  15          HH12      ARG  15  17.904 -13.747  -2.594
  118   HH21  ARG  15          HH21      ARG  15  21.101 -13.352  -3.955
  119   HH22  ARG  15          HH22      ARG  15  19.782 -14.445  -3.705
  120    H    ARG  16           H        ARG  16  21.771  -9.538   1.712
  121    HA   ARG  16           HA       ARG  16  19.664 -11.380   2.056
  122    HB2  ARG  16           HB2      ARG  16  22.092 -11.730   2.657
  123    HB3  ARG  16           HB3      ARG  16  21.811 -10.729   4.076
  124    HG2  ARG  16           HG2      ARG  16  19.891 -12.419   4.553
  125    HG3  ARG  16           HG3      ARG  16  20.799 -13.464   3.459
  126    HD2  ARG  16           HD2      ARG  16  22.599 -13.618   4.882
  127    HD3  ARG  16           HD3      ARG  16  22.245 -12.078   5.665
  128    HE   ARG  16           HE       ARG  16  20.153 -13.710   6.338
  129   HH11  ARG  16          HH11      ARG  16  23.615 -13.833   6.682
  130   HH12  ARG  16          HH12      ARG  16  23.568 -14.764   8.142
  131   HH21  ARG  16          HH21      ARG  16  20.078 -14.936   8.261
  132   HH22  ARG  16          HH22      ARG  16  21.555 -15.391   9.039
  133    H    GLU  17           H        GLU  17  20.644  -8.529   3.928
  134    HA   GLU  17           HA       GLU  17  18.545  -8.828   5.852
  135    HB2  GLU  17           HB2      GLU  17  20.478  -6.605   5.220
  136    HB3  GLU  17           HB3      GLU  17  19.228  -6.432   6.444
  137    HG2  GLU  17           HG2      GLU  17  20.952  -8.825   6.628
  138    HG3  GLU  17           HG3      GLU  17  21.696  -7.269   6.991
  139    H    LYS  18           H        LYS  18  18.990  -7.016   2.878
  140    HA   LYS  18           HA       LYS  18  16.739  -5.329   3.126
  141    HB2  LYS  18           HB2      LYS  18  18.795  -5.421   1.405
  142    HB3  LYS  18           HB3      LYS  18  17.577  -6.220   0.419
  143    HG2  LYS  18           HG2      LYS  18  16.678  -3.748   1.717
  144    HG3  LYS  18           HG3      LYS  18  17.966  -3.543   0.527
  145    HD2  LYS  18           HD2      LYS  18  15.420  -5.068  -0.002
  146    HD3  LYS  18           HD3      LYS  18  15.642  -3.362  -0.395
  147    HE2  LYS  18           HE2      LYS  18  17.774  -4.229  -1.633
  148    HE3  LYS  18           HE3      LYS  18  16.926  -5.775  -1.600
  149    HZ1  LYS  18           HZ1      LYS  18  15.397  -5.070  -3.077
  150    HZ2  LYS  18           HZ2      LYS  18  16.620  -3.996  -3.536
  151    HZ3  LYS  18           HZ3      LYS  18  15.385  -3.479  -2.502
  152    H    LYS  19           H        LYS  19  17.184  -8.504   1.620
  153    HA   LYS  19           HA       LYS  19  14.694  -8.797   0.431
  154    HB2  LYS  19           HB2      LYS  19  16.843 -10.348   0.513
  155    HB3  LYS  19           HB3      LYS  19  15.930 -11.155   1.781
  156    HG2  LYS  19           HG2      LYS  19  14.555 -10.598  -0.791
  157    HG3  LYS  19           HG3      LYS  19  15.756 -11.892  -0.743
  158    HD2  LYS  19           HD2      LYS  19  14.501 -13.189   0.660
  159    HD3  LYS  19           HD3      LYS  19  13.717 -11.802   1.419
  160    HE2  LYS  19           HE2      LYS  19  12.188 -11.562  -0.324
  161    HE3  LYS  19           HE3      LYS  19  13.173 -12.503  -1.443
  162    HZ1  LYS  19           HZ1      LYS  19  12.545 -14.489  -0.443
  163    HZ2  LYS  19           HZ2      LYS  19  11.108 -13.597  -0.466
  164    HZ3  LYS  19           HZ3      LYS  19  11.994 -13.736   0.968
  165    H    GLN  20           H        GLN  20  15.654  -9.223   3.782
  166    HA   GLN  20           HA       GLN  20  13.223 -10.438   4.635
  167    HB2  GLN  20           HB2      GLN  20  15.435 -10.561   5.837
  168    HB3  GLN  20           HB3      GLN  20  15.182  -8.894   6.336
  169    HG2  GLN  20           HG2      GLN  20  13.476  -9.436   7.773
  170    HG3  GLN  20           HG3      GLN  20  13.076 -10.920   6.909
  171   HE21  GLN  20          HE21      GLN  20  13.074 -11.810   9.099
  172   HE22  GLN  20          HE22      GLN  20  14.569 -12.348   9.777
  173    H    CYS  21           H        CYS  21  14.398  -7.127   4.447
  174    HA   CYS  21           HA       CYS  21  12.317  -5.924   5.930
  175    HB2  CYS  21           HB2      CYS  21  14.326  -4.678   5.555
  176    HB3  CYS  21           HB3      CYS  21  14.173  -4.841   3.808
  177    H    LYS  22           H        LYS  22  12.755  -6.446   2.446
  178    HA   LYS  22           HA       LYS  22  10.341  -5.208   1.654
  179    HB2  LYS  22           HB2      LYS  22  10.677  -6.472  -0.477
  180    HB3  LYS  22           HB3      LYS  22  12.078  -5.539   0.032
  181    HG2  LYS  22           HG2      LYS  22  13.194  -7.505   0.802
  182    HG3  LYS  22           HG3      LYS  22  11.748  -8.485   0.549
  183    HD2  LYS  22           HD2      LYS  22  13.091  -8.951  -1.310
  184    HD3  LYS  22           HD3      LYS  22  11.923  -7.769  -1.906
  185    HE2  LYS  22           HE2      LYS  22  13.517  -6.261  -2.333
  186    HE3  LYS  22           HE3      LYS  22  14.307  -6.535  -0.781
  187    HZ1  LYS  22           HZ1      LYS  22  15.918  -7.430  -2.019
  188    HZ2  LYS  22           HZ2      LYS  22  14.928  -7.621  -3.377
  189    HZ3  LYS  22           HZ3      LYS  22  14.905  -8.780  -2.145
  190    H    GLU  23           H        GLU  23  11.146  -8.481   2.639
  191    HA   GLU  23           HA       GLU  23   8.881  -9.839   1.789
  192    HB2  GLU  23           HB2      GLU  23  10.981 -10.773   2.906
  193    HB3  GLU  23           HB3      GLU  23  10.224 -10.354   4.437
  194    HG2  GLU  23           HG2      GLU  23   8.457 -11.881   4.093
  195    HG3  GLU  23           HG3      GLU  23   8.896 -12.117   2.402
  196    H    GLY  24           H        GLY  24   9.381  -7.892   4.698
  197    HA2  GLY  24           HA2      GLY  24   7.007  -8.495   6.039
  198    HA3  GLY  24           HA3      GLY  24   7.891  -6.983   6.187
  199    H    CYS  25           H        CYS  25   7.605  -6.280   3.380
  200    HA   CYS  25           HA       CYS  25   5.173  -4.857   3.535
  201    HB2  CYS  25           HB2      CYS  25   7.038  -5.389   1.217
  202    HB3  CYS  25           HB3      CYS  25   5.648  -4.313   1.117
  203    H    ARG  26           H        ARG  26   6.129  -7.704   1.639
  204    HA   ARG  26           HA       ARG  26   3.547  -8.011   0.444
  205    HB2  ARG  26           HB2      ARG  26   4.419 -10.079  -0.472
  206    HB3  ARG  26           HB3      ARG  26   5.624  -8.808  -0.636
  207    HG2  ARG  26           HG2      ARG  26   6.949  -9.697   1.094
  208    HG3  ARG  26           HG3      ARG  26   5.653 -10.763   1.642
  209    HD2  ARG  26           HD2      ARG  26   6.963 -12.242   0.475
  210    HD3  ARG  26           HD3      ARG  26   5.839 -11.731  -0.784
  211    HE   ARG  26           HE       ARG  26   8.095 -10.049  -0.801
  212   HH11  ARG  26          HH11      ARG  26   7.151 -13.308  -1.577
  213   HH12  ARG  26          HH12      ARG  26   8.357 -13.505  -2.805
  214   HH21  ARG  26          HH21      ARG  26   9.688 -10.295  -2.415
  215   HH22  ARG  26          HH22      ARG  26   9.801 -11.790  -3.280
  216    H    TYR  27           H        TYR  27   2.384 -10.175   0.658
  217    HA   TYR  27           HA       TYR  27   2.488 -11.306   3.341
  218    HB2  TYR  27           HB2      TYR  27   0.215  -9.691   2.257
  219    HB3  TYR  27           HB3      TYR  27  -0.132 -11.049   3.322
  220    HD1  TYR  27           HD1      TYR  27   1.655 -11.044   5.438
  221    HD2  TYR  27           HD2      TYR  27   0.197  -7.654   3.319
  222    HE1  TYR  27           HE1      TYR  27   2.114  -9.629   7.397
  223    HE2  TYR  27           HE2      TYR  27   0.653  -6.230   5.272
  224    HH   TYR  27           HH       TYR  27   0.893  -7.033   8.117
  225    H    GLY  28           H        GLY  28   2.641 -13.415   2.971
  226    HA2  GLY  28           HA2      GLY  28   1.045 -15.294   2.313
  227    HA3  GLY  28           HA3      GLY  28   1.120 -14.560   0.718
  Start of MODEL    9
    1    H    ALA   1           H        ALA   1   1.962   4.669  -7.023
    2    HA   ALA   1           HA       ALA   1   2.704   2.177  -8.308
    3    HB1  ALA   1           HB1      ALA   1   3.832   3.473  -9.903
    4    HB2  ALA   1           HB2      ALA   1   2.399   4.416  -9.492
    5    HB3  ALA   1           HB3      ALA   1   3.967   4.854  -8.814
    6    H    ASP   2           H        ASP   2   4.316   4.711  -6.400
    7    HA   ASP   2           HA       ASP   2   6.696   3.054  -6.143
    8    HB2  ASP   2           HB2      ASP   2   7.123   5.378  -6.539
    9    HB3  ASP   2           HB3      ASP   2   6.046   5.858  -5.231
   10    H    ASP   3           H        ASP   3   6.574   1.472  -4.687
   11    HA   ASP   3           HA       ASP   3   4.901   1.617  -2.368
   12    HB2  ASP   3           HB2      ASP   3   5.584  -0.482  -3.699
   13    HB3  ASP   3           HB3      ASP   3   7.090  -0.406  -2.789
   14    H    ARG   4           H        ARG   4   5.470   3.112  -0.888
   15    HA   ARG   4           HA       ARG   4   8.037   3.975  -0.264
   16    HB2  ARG   4           HB2      ARG   4   5.423   4.015   1.190
   17    HB3  ARG   4           HB3      ARG   4   6.882   4.506   2.040
   18    HG2  ARG   4           HG2      ARG   4   7.297   6.228   0.379
   19    HG3  ARG   4           HG3      ARG   4   5.872   5.715  -0.526
   20    HD2  ARG   4           HD2      ARG   4   5.145   7.563   0.710
   21    HD3  ARG   4           HD3      ARG   4   4.565   6.169   1.620
   22    HE   ARG   4           HE       ARG   4   6.984   6.742   2.736
   23   HH11  ARG   4          HH11      ARG   4   4.071   8.552   2.137
   24   HH12  ARG   4          HH12      ARG   4   4.282   9.594   3.505
   25   HH21  ARG   4          HH21      ARG   4   7.273   8.108   4.540
   26   HH22  ARG   4          HH22      ARG   4   6.105   9.341   4.870
   27    H    CYS   5           H        CYS   5   6.189   1.260   0.988
   28    HA   CYS   5           HA       CYS   5   7.707   0.599   3.214
   29    HB2  CYS   5           HB2      CYS   5   5.604  -0.511   2.738
   30    HB3  CYS   5           HB3      CYS   5   6.272  -1.221   1.271
   31    H    TYR   6           H        TYR   6   7.959  -1.093   0.086
   32    HA   TYR   6           HA       TYR   6  10.367  -2.369   0.602
   33    HB2  TYR   6           HB2      TYR   6   9.066  -3.090  -1.259
   34    HB3  TYR   6           HB3      TYR   6   9.108  -1.493  -1.998
   35    HD1  TYR   6           HD1      TYR   6  11.769  -3.744  -0.638
   36    HD2  TYR   6           HD2      TYR   6  10.279  -1.576  -3.982
   37    HE1  TYR   6           HE1      TYR   6  13.747  -4.406  -1.941
   38    HE2  TYR   6           HE2      TYR   6  12.252  -2.233  -5.295
   39    HH   TYR   6           HH       TYR   6  14.139  -4.645  -4.699
   40    H    ARG   7           H        ARG   7   9.747   0.859  -0.641
   41    HA   ARG   7           HA       ARG   7  12.271   1.533  -1.576
   42    HB2  ARG   7           HB2      ARG   7  10.000   3.094  -0.419
   43    HB3  ARG   7           HB3      ARG   7  11.535   3.908  -0.692
   44    HG2  ARG   7           HG2      ARG   7  10.189   2.341  -2.863
   45    HG3  ARG   7           HG3      ARG   7   9.767   4.023  -2.532
   46    HD2  ARG   7           HD2      ARG   7  12.355   4.383  -2.665
   47    HD3  ARG   7           HD3      ARG   7  12.319   2.869  -3.568
   48    HE   ARG   7           HE       ARG   7  11.335   3.971  -5.326
   49   HH11  ARG   7          HH11      ARG   7  11.259   5.993  -2.494
   50   HH12  ARG   7          HH12      ARG   7  10.728   7.401  -3.353
   51   HH21  ARG   7          HH21      ARG   7  10.636   5.817  -6.469
   52   HH22  ARG   7          HH22      ARG   7  10.373   7.299  -5.615
   53    H    MET   8           H        MET   8  11.028   1.460   1.713
   54    HA   MET   8           HA       MET   8  13.175   2.810   2.950
   55    HB2  MET   8           HB2      MET   8  10.954   2.374   4.001
   56    HB3  MET   8           HB3      MET   8  11.400   0.679   4.153
   57    HG2  MET   8           HG2      MET   8  13.132   1.181   5.690
   58    HG3  MET   8           HG3      MET   8  12.996   2.910   5.375
   59    HE1  MET   8           HE1      MET   8  11.429   4.412   6.140
   60    HE2  MET   8           HE2      MET   8   9.826   3.753   5.818
   61    HE3  MET   8           HE3      MET   8  10.280   4.203   7.462
   62    H    CYS   9           H        CYS   9  12.708  -0.509   1.955
   63    HA   CYS   9           HA       CYS   9  14.803  -1.679   3.435
   64    HB2  CYS   9           HB2      CYS   9  13.811  -2.581   0.727
   65    HB3  CYS   9           HB3      CYS   9  14.583  -3.566   1.965
   66    H    GLN  10           H        GLN  10  14.748   0.175   0.497
   67    HA   GLN  10           HA       GLN  10  17.137  -0.571  -0.693
   68    HB2  GLN  10           HB2      GLN  10  15.300   1.152  -1.414
   69    HB3  GLN  10           HB3      GLN  10  16.339   2.315  -0.600
   70    HG2  GLN  10           HG2      GLN  10  17.533   0.472  -2.609
   71    HG3  GLN  10           HG3      GLN  10  16.580   1.849  -3.161
   72   HE21  GLN  10          HE21      GLN  10  19.338   1.456  -3.642
   73   HE22  GLN  10          HE22      GLN  10  20.198   2.739  -2.868
   74    H    ARG  11           H        ARG  11  16.581   1.258   2.196
   75    HA   ARG  11           HA       ARG  11  19.054   2.591   2.382
   76    HB2  ARG  11           HB2      ARG  11  18.481   3.065   4.615
   77    HB3  ARG  11           HB3      ARG  11  16.942   2.967   3.770
   78    HG2  ARG  11           HG2      ARG  11  16.909   0.517   4.555
   79    HG3  ARG  11           HG3      ARG  11  18.159   1.027   5.693
   80    HD2  ARG  11           HD2      ARG  11  16.082   2.952   5.773
   81    HD3  ARG  11           HD3      ARG  11  15.335   1.358   5.869
   82    HE   ARG  11           HE       ARG  11  16.246   1.089   7.955
   83   HH11  ARG  11          HH11      ARG  11  17.781   3.779   6.364
   84   HH12  ARG  11          HH12      ARG  11  18.636   4.296   7.780
   85   HH21  ARG  11          HH21      ARG  11  17.366   1.760   9.825
   86   HH22  ARG  11          HH22      ARG  11  18.400   3.147   9.747
   87    H    TYR  12           H        TYR  12  18.139  -0.697   2.929
   88    HA   TYR  12           HA       TYR  12  20.488  -1.338   4.489
   89    HB2  TYR  12           HB2      TYR  12  18.269  -3.019   3.323
   90    HB3  TYR  12           HB3      TYR  12  19.638  -3.711   4.187
   91    HD1  TYR  12           HD1      TYR  12  20.037  -2.911   6.594
   92    HD2  TYR  12           HD2      TYR  12  16.393  -2.265   4.494
   93    HE1  TYR  12           HE1      TYR  12  18.875  -2.552   8.732
   94    HE2  TYR  12           HE2      TYR  12  15.222  -1.902   6.626
   95    HH   TYR  12           HH       TYR  12  15.379  -1.968   8.847
   96    H    HIS  13           H        HIS  13  22.416  -1.633   3.611
   97    HA   HIS  13           HA       HIS  13  22.770  -1.944   0.786
   98    HB2  HIS  13           HB2      HIS  13  24.714  -1.990   3.098
   99    HB3  HIS  13           HB3      HIS  13  25.207  -2.140   1.414
  100    HD1  HIS  13           HD1      HIS  13  26.039   0.228   3.321
  101    HD2  HIS  13           HD2      HIS  13  22.983   0.333   0.509
  102    HE1  HIS  13           HE1      HIS  13  25.716   2.660   2.769
  103    H    ASP  14           H        ASP  14  22.759  -4.065   3.557
  104    HA   ASP  14           HA       ASP  14  23.963  -6.293   2.230
  105    HB2  ASP  14           HB2      ASP  14  23.089  -5.660   4.874
  106    HB3  ASP  14           HB3      ASP  14  22.341  -7.181   4.393
  107    H    ARG  15           H        ARG  15  22.990  -7.141   0.498
  108    HA   ARG  15           HA       ARG  15  20.321  -7.017  -0.189
  109    HB2  ARG  15           HB2      ARG  15  20.763  -8.855  -1.732
  110    HB3  ARG  15           HB3      ARG  15  22.097  -7.710  -1.736
  111    HG2  ARG  15           HG2      ARG  15  23.288  -9.240  -0.146
  112    HG3  ARG  15           HG3      ARG  15  22.006 -10.417  -0.435
  113    HD2  ARG  15           HD2      ARG  15  22.618  -9.883  -2.963
  114    HD3  ARG  15           HD3      ARG  15  24.170  -9.472  -2.235
  115    HE   ARG  15           HE       ARG  15  23.284 -11.985  -1.294
  116   HH11  ARG  15          HH11      ARG  15  24.599 -10.436  -4.121
  117   HH12  ARG  15          HH12      ARG  15  25.354 -11.876  -4.719
  118   HH21  ARG  15          HH21      ARG  15  24.274 -13.887  -2.071
  119   HH22  ARG  15          HH22      ARG  15  25.168 -13.839  -3.552
  120    H    ARG  16           H        ARG  16  21.960  -9.295   1.911
  121    HA   ARG  16           HA       ARG  16  19.910 -11.223   2.077
  122    HB2  ARG  16           HB2      ARG  16  22.360 -11.372   2.865
  123    HB3  ARG  16           HB3      ARG  16  21.794 -10.587   4.334
  124    HG2  ARG  16           HG2      ARG  16  20.175 -12.430   4.647
  125    HG3  ARG  16           HG3      ARG  16  20.867 -13.231   3.234
  126    HD2  ARG  16           HD2      ARG  16  21.783 -14.112   5.334
  127    HD3  ARG  16           HD3      ARG  16  23.025 -13.361   4.333
  128    HE   ARG  16           HE       ARG  16  22.072 -11.429   6.102
  129   HH11  ARG  16          HH11      ARG  16  23.811 -14.443   6.194
  130   HH12  ARG  16          HH12      ARG  16  24.689 -14.043   7.633
  131   HH21  ARG  16          HH21      ARG  16  23.222 -10.890   7.997
  132   HH22  ARG  16          HH22      ARG  16  24.353 -12.022   8.658
  133    H    GLU  17           H        GLU  17  20.647  -8.377   4.064
  134    HA   GLU  17           HA       GLU  17  18.438  -8.798   5.835
  135    HB2  GLU  17           HB2      GLU  17  20.318  -6.489   5.378
  136    HB3  GLU  17           HB3      GLU  17  18.984  -6.393   6.520
  137    HG2  GLU  17           HG2      GLU  17  20.188  -8.730   7.249
  138    HG3  GLU  17           HG3      GLU  17  21.560  -7.744   6.747
  139    H    LYS  18           H        LYS  18  19.011  -6.900   2.937
  140    HA   LYS  18           HA       LYS  18  16.680  -5.312   3.064
  141    HB2  LYS  18           HB2      LYS  18  18.495  -4.678   1.609
  142    HB3  LYS  18           HB3      LYS  18  18.369  -6.189   0.718
  143    HG2  LYS  18           HG2      LYS  18  16.537  -5.509  -0.456
  144    HG3  LYS  18           HG3      LYS  18  15.985  -4.421   0.820
  145    HD2  LYS  18           HD2      LYS  18  16.734  -2.874  -0.678
  146    HD3  LYS  18           HD3      LYS  18  18.237  -3.162   0.202
  147    HE2  LYS  18           HE2      LYS  18  17.626  -4.894  -2.135
  148    HE3  LYS  18           HE3      LYS  18  18.124  -3.232  -2.444
  149    HZ1  LYS  18           HZ1      LYS  18  19.738  -4.693  -0.525
  150    HZ2  LYS  18           HZ2      LYS  18  20.212  -3.638  -1.759
  151    HZ3  LYS  18           HZ3      LYS  18  19.831  -5.246  -2.121
  152    H    LYS  19           H        LYS  19  17.364  -8.409   1.479
  153    HA   LYS  19           HA       LYS  19  14.959  -8.767   0.142
  154    HB2  LYS  19           HB2      LYS  19  17.007 -10.211  -0.036
  155    HB3  LYS  19           HB3      LYS  19  16.549 -10.953   1.492
  156    HG2  LYS  19           HG2      LYS  19  14.296 -11.421   0.278
  157    HG3  LYS  19           HG3      LYS  19  15.253 -11.175  -1.185
  158    HD2  LYS  19           HD2      LYS  19  16.580 -13.026  -0.785
  159    HD3  LYS  19           HD3      LYS  19  16.257 -13.010   0.950
  160    HE2  LYS  19           HE2      LYS  19  14.961 -14.786   0.338
  161    HE3  LYS  19           HE3      LYS  19  13.789 -13.485   0.133
  162    HZ1  LYS  19           HZ1      LYS  19  13.779 -13.727  -2.087
  163    HZ2  LYS  19           HZ2      LYS  19  14.342 -15.285  -1.747
  164    HZ3  LYS  19           HZ3      LYS  19  15.433 -14.069  -2.185
  165    H    GLN  20           H        GLN  20  15.760  -9.300   3.521
  166    HA   GLN  20           HA       GLN  20  13.349 -10.661   4.187
  167    HB2  GLN  20           HB2      GLN  20  15.527 -10.693   5.493
  168    HB3  GLN  20           HB3      GLN  20  15.094  -9.094   6.083
  169    HG2  GLN  20           HG2      GLN  20  13.154 -11.334   6.384
  170    HG3  GLN  20           HG3      GLN  20  14.535 -11.226   7.475
  171   HE21  GLN  20          HE21      GLN  20  11.470 -10.720   7.557
  172   HE22  GLN  20          HE22      GLN  20  11.354  -9.247   8.452
  173    H    CYS  21           H        CYS  21  14.367  -7.294   4.198
  174    HA   CYS  21           HA       CYS  21  12.154  -6.254   5.613
  175    HB2  CYS  21           HB2      CYS  21  14.118  -4.902   5.393
  176    HB3  CYS  21           HB3      CYS  21  14.058  -4.994   3.636
  177    H    LYS  22           H        LYS  22  12.797  -6.604   2.139
  178    HA   LYS  22           HA       LYS  22  10.366  -5.453   1.271
  179    HB2  LYS  22           HB2      LYS  22  10.878  -6.554  -0.894
  180    HB3  LYS  22           HB3      LYS  22  12.236  -5.644  -0.247
  181    HG2  LYS  22           HG2      LYS  22  13.214  -7.741   0.590
  182    HG3  LYS  22           HG3      LYS  22  11.872  -8.632  -0.133
  183    HD2  LYS  22           HD2      LYS  22  13.827  -6.893  -1.638
  184    HD3  LYS  22           HD3      LYS  22  13.887  -8.655  -1.551
  185    HE2  LYS  22           HE2      LYS  22  11.620  -8.723  -2.564
  186    HE3  LYS  22           HE3      LYS  22  11.692  -6.971  -2.754
  187    HZ1  LYS  22           HZ1      LYS  22  13.125  -9.060  -4.213
  188    HZ2  LYS  22           HZ2      LYS  22  13.929  -7.594  -3.959
  189    HZ3  LYS  22           HZ3      LYS  22  12.450  -7.616  -4.780
  190    H    GLU  23           H        GLU  23  11.329  -8.781   1.971
  191    HA   GLU  23           HA       GLU  23   8.961 -10.016   1.060
  192    HB2  GLU  23           HB2      GLU  23  11.237 -11.076   1.661
  193    HB3  GLU  23           HB3      GLU  23  10.636 -11.089   3.313
  194    HG2  GLU  23           HG2      GLU  23   8.928 -12.598   2.806
  195    HG3  GLU  23           HG3      GLU  23   9.072 -12.313   1.073
  196    H    GLY  24           H        GLY  24   9.944  -8.805   4.243
  197    HA2  GLY  24           HA2      GLY  24   7.849  -9.718   5.795
  198    HA3  GLY  24           HA3      GLY  24   8.687  -8.197   6.067
  199    H    CYS  25           H        CYS  25   7.876  -7.042   3.522
  200    HA   CYS  25           HA       CYS  25   5.427  -5.881   4.351
  201    HB2  CYS  25           HB2      CYS  25   7.400  -5.092   2.682
  202    HB3  CYS  25           HB3      CYS  25   6.207  -5.631   1.505
  203    H    ARG  26           H        ARG  26   6.261  -8.391   2.032
  204    HA   ARG  26           HA       ARG  26   3.733  -8.589   0.789
  205    HB2  ARG  26           HB2      ARG  26   5.698 -10.851   1.137
  206    HB3  ARG  26           HB3      ARG  26   4.517 -10.637  -0.148
  207    HG2  ARG  26           HG2      ARG  26   6.984  -8.977   0.318
  208    HG3  ARG  26           HG3      ARG  26   6.724 -10.150  -0.975
  209    HD2  ARG  26           HD2      ARG  26   5.354  -7.504  -0.561
  210    HD3  ARG  26           HD3      ARG  26   6.364  -8.005  -1.917
  211    HE   ARG  26           HE       ARG  26   3.570  -8.503  -1.576
  212   HH11  ARG  26          HH11      ARG  26   6.504  -9.739  -2.986
  213   HH12  ARG  26          HH12      ARG  26   5.687 -10.631  -4.226
  214   HH21  ARG  26          HH21      ARG  26   2.483  -9.674  -3.204
  215   HH22  ARG  26          HH22      ARG  26   3.400 -10.593  -4.350
  216    H    TYR  27           H        TYR  27   1.876  -9.234   1.634
  217    HA   TYR  27           HA       TYR  27   1.858 -10.711   4.141
  218    HB2  TYR  27           HB2      TYR  27  -0.203  -9.201   2.570
  219    HB3  TYR  27           HB3      TYR  27  -0.705 -10.341   3.813
  220    HD1  TYR  27           HD1      TYR  27  -0.187  -7.006   3.248
  221    HD2  TYR  27           HD2      TYR  27   0.843 -10.018   6.071
  222    HE1  TYR  27           HE1      TYR  27   0.151  -5.275   4.962
  223    HE2  TYR  27           HE2      TYR  27   1.182  -8.295   7.793
  224    HH   TYR  27           HH       TYR  27   0.164  -5.758   8.085
  225    H    GLY  28           H        GLY  28   2.629 -12.723   3.280
  226    HA2  GLY  28           HA2      GLY  28   1.185 -14.121   1.247
  227    HA3  GLY  28           HA3      GLY  28   2.413 -14.801   2.305
  Start of MODEL   10
    1    H    ALA   1           H        ALA   1   5.437  -3.657  -9.534
    2    HA   ALA   1           HA       ALA   1   6.192  -5.285  -7.425
    3    HB1  ALA   1           HB1      ALA   1   7.517  -4.045  -9.709
    4    HB2  ALA   1           HB2      ALA   1   8.593  -4.329  -8.340
    5    HB3  ALA   1           HB3      ALA   1   7.686  -5.669  -9.042
    6    H    ASP   2           H        ASP   2   7.082  -1.878  -7.969
    7    HA   ASP   2           HA       ASP   2   8.530  -1.587  -5.563
    8    HB2  ASP   2           HB2      ASP   2   7.251   0.386  -7.446
    9    HB3  ASP   2           HB3      ASP   2   8.086   0.908  -5.985
   10    H    ASP   3           H        ASP   3   7.928  -0.203  -3.734
   11    HA   ASP   3           HA       ASP   3   5.133   0.239  -3.203
   12    HB2  ASP   3           HB2      ASP   3   5.783  -2.261  -2.667
   13    HB3  ASP   3           HB3      ASP   3   6.470  -1.546  -1.211
   14    H    ARG   4           H        ARG   4   4.785   1.292  -1.099
   15    HA   ARG   4           HA       ARG   4   6.677   3.327  -0.643
   16    HB2  ARG   4           HB2      ARG   4   4.364   2.426   1.084
   17    HB3  ARG   4           HB3      ARG   4   5.251   3.930   1.289
   18    HG2  ARG   4           HG2      ARG   4   4.372   4.864  -0.642
   19    HG3  ARG   4           HG3      ARG   4   3.925   3.294  -1.313
   20    HD2  ARG   4           HD2      ARG   4   2.321   3.126   0.686
   21    HD3  ARG   4           HD3      ARG   4   2.588   4.859   0.870
   22    HE   ARG   4           HE       ARG   4   1.872   4.221  -1.799
   23   HH11  ARG   4          HH11      ARG   4   0.552   4.585   1.402
   24   HH12  ARG   4          HH12      ARG   4  -1.032   5.006   0.842
   25   HH21  ARG   4          HH21      ARG   4  -0.210   4.775  -2.549
   26   HH22  ARG   4          HH22      ARG   4  -1.465   5.113  -1.405
   27    H    CYS   5           H        CYS   5   5.775   0.511   1.341
   28    HA   CYS   5           HA       CYS   5   7.673   0.981   3.375
   29    HB2  CYS   5           HB2      CYS   5   7.259  -1.404   3.987
   30    HB3  CYS   5           HB3      CYS   5   5.786  -0.458   3.802
   31    H    TYR   6           H        TYR   6   7.809  -0.794   0.346
   32    HA   TYR   6           HA       TYR   6  10.180  -2.209   0.747
   33    HB2  TYR   6           HB2      TYR   6   8.848  -2.746  -1.152
   34    HB3  TYR   6           HB3      TYR   6   8.914  -1.094  -1.755
   35    HD1  TYR   6           HD1      TYR   6  10.270  -0.748  -3.580
   36    HD2  TYR   6           HD2      TYR   6  11.332  -3.790  -0.800
   37    HE1  TYR   6           HE1      TYR   6  12.216  -1.329  -4.968
   38    HE2  TYR   6           HE2      TYR   6  13.281  -4.378  -2.180
   39    HH   TYR   6           HH       TYR   6  14.723  -2.726  -4.129
   40    H    ARG   7           H        ARG   7   9.631   1.116  -0.267
   41    HA   ARG   7           HA       ARG   7  12.176   1.792  -1.142
   42    HB2  ARG   7           HB2      ARG   7  10.017   3.392   0.213
   43    HB3  ARG   7           HB3      ARG   7  11.540   4.130  -0.267
   44    HG2  ARG   7           HG2      ARG   7  11.067   3.995  -2.492
   45    HG3  ARG   7           HG3      ARG   7  10.047   2.568  -2.301
   46    HD2  ARG   7           HD2      ARG   7   8.219   3.827  -2.199
   47    HD3  ARG   7           HD3      ARG   7   8.902   4.781  -0.884
   48    HE   ARG   7           HE       ARG   7   8.723   5.528  -3.637
   49   HH11  ARG   7          HH11      ARG   7  10.580   5.932  -0.720
   50   HH12  ARG   7          HH12      ARG   7  11.206   7.481  -1.178
   51   HH21  ARG   7          HH21      ARG   7   9.539   7.567  -4.251
   52   HH22  ARG   7          HH22      ARG   7  10.612   8.411  -3.186
   53    H    MET   8           H        MET   8  10.914   1.501   2.122
   54    HA   MET   8           HA       MET   8  13.056   2.744   3.472
   55    HB2  MET   8           HB2      MET   8  10.763   2.138   4.401
   56    HB3  MET   8           HB3      MET   8  11.374   0.499   4.577
   57    HG2  MET   8           HG2      MET   8  12.788   1.055   6.282
   58    HG3  MET   8           HG3      MET   8  12.942   2.730   5.754
   59    HE1  MET   8           HE1      MET   8  11.136   4.317   5.695
   60    HE2  MET   8           HE2      MET   8   9.493   3.682   5.786
   61    HE3  MET   8           HE3      MET   8  10.151   4.623   7.125
   62    H    CYS   9           H        CYS   9  12.602  -0.473   2.193
   63    HA   CYS   9           HA       CYS   9  14.664  -1.778   3.603
   64    HB2  CYS   9           HB2      CYS   9  13.724  -2.426   0.805
   65    HB3  CYS   9           HB3      CYS   9  14.475  -3.523   1.960
   66    H    GLN  10           H        GLN  10  14.674   0.333   0.843
   67    HA   GLN  10           HA       GLN  10  17.087  -0.310  -0.358
   68    HB2  GLN  10           HB2      GLN  10  15.339   1.403  -1.092
   69    HB3  GLN  10           HB3      GLN  10  16.129   2.523   0.009
   70    HG2  GLN  10           HG2      GLN  10  17.240   3.067  -1.879
   71    HG3  GLN  10           HG3      GLN  10  18.272   1.742  -1.345
   72   HE21  GLN  10          HE21      GLN  10  16.562   2.991  -3.892
   73   HE22  GLN  10          HE22      GLN  10  16.470   1.579  -4.883
   74    H    ARG  11           H        ARG  11  16.469   1.265   2.667
   75    HA   ARG  11           HA       ARG  11  18.944   2.561   3.021
   76    HB2  ARG  11           HB2      ARG  11  18.319   2.856   5.269
   77    HB3  ARG  11           HB3      ARG  11  16.798   2.830   4.386
   78    HG2  ARG  11           HG2      ARG  11  16.761   0.318   4.970
   79    HG3  ARG  11           HG3      ARG  11  17.969   0.748   6.182
   80    HD2  ARG  11           HD2      ARG  11  15.315   2.146   5.936
   81    HD3  ARG  11           HD3      ARG  11  15.566   0.735   6.963
   82    HE   ARG  11           HE       ARG  11  17.506   2.682   7.559
   83   HH11  ARG  11          HH11      ARG  11  14.095   2.078   7.904
   84   HH12  ARG  11          HH12      ARG  11  13.938   3.036   9.339
   85   HH21  ARG  11          HH21      ARG  11  17.312   3.947   9.448
   86   HH22  ARG  11          HH22      ARG  11  15.768   4.100  10.215
   87    H    TYR  12           H        TYR  12  17.993  -0.755   3.280
   88    HA   TYR  12           HA       TYR  12  20.306  -1.540   4.829
   89    HB2  TYR  12           HB2      TYR  12  18.072  -3.076   3.509
   90    HB3  TYR  12           HB3      TYR  12  19.438  -3.879   4.276
   91    HD1  TYR  12           HD1      TYR  12  19.920  -3.122   6.754
   92    HD2  TYR  12           HD2      TYR  12  16.186  -2.638   4.773
   93    HE1  TYR  12           HE1      TYR  12  18.791  -2.968   8.933
   94    HE2  TYR  12           HE2      TYR  12  15.046  -2.482   6.947
   95    HH   TYR  12           HH       TYR  12  15.315  -2.953   9.205
   96    H    HIS  13           H        HIS  13  22.237  -2.008   4.026
   97    HA   HIS  13           HA       HIS  13  22.643  -2.045   1.163
   98    HB2  HIS  13           HB2      HIS  13  24.666  -2.401   3.383
   99    HB3  HIS  13           HB3      HIS  13  25.017  -2.061   1.691
  100    HD1  HIS  13           HD1      HIS  13  25.241  -0.360   4.647
  101    HD2  HIS  13           HD2      HIS  13  23.253   0.523   1.107
  102    HE1  HIS  13           HE1      HIS  13  24.914   2.134   4.664
  103    H    ASP  14           H        ASP  14  22.571  -4.315   3.807
  104    HA   ASP  14           HA       ASP  14  23.817  -6.466   2.394
  105    HB2  ASP  14           HB2      ASP  14  22.858  -5.982   5.042
  106    HB3  ASP  14           HB3      ASP  14  22.138  -7.478   4.453
  107    H    ARG  15           H        ARG  15  22.914  -7.300   0.628
  108    HA   ARG  15           HA       ARG  15  20.285  -7.106  -0.184
  109    HB2  ARG  15           HB2      ARG  15  22.200  -9.364  -0.798
  110    HB3  ARG  15           HB3      ARG  15  20.764  -8.950  -1.724
  111    HG2  ARG  15           HG2      ARG  15  22.559  -6.693  -1.398
  112    HG3  ARG  15           HG3      ARG  15  23.326  -8.065  -2.199
  113    HD2  ARG  15           HD2      ARG  15  21.285  -8.148  -3.700
  114    HD3  ARG  15           HD3      ARG  15  20.842  -6.582  -3.022
  115    HE   ARG  15           HE       ARG  15  22.825  -7.085  -4.999
  116   HH11  ARG  15          HH11      ARG  15  22.041  -5.029  -2.302
  117   HH12  ARG  15          HH12      ARG  15  22.985  -3.694  -2.876
  118   HH21  ARG  15          HH21      ARG  15  24.072  -5.336  -5.766
  119   HH22  ARG  15          HH22      ARG  15  24.139  -3.870  -4.848
  120    H    ARG  16           H        ARG  16  21.775  -9.463   1.942
  121    HA   ARG  16           HA       ARG  16  19.677 -11.346   1.974
  122    HB2  ARG  16           HB2      ARG  16  21.933 -11.843   2.808
  123    HB3  ARG  16           HB3      ARG  16  21.699 -10.703   4.127
  124    HG2  ARG  16           HG2      ARG  16  21.336 -12.814   5.065
  125    HG3  ARG  16           HG3      ARG  16  19.723 -12.141   4.817
  126    HD2  ARG  16           HD2      ARG  16  19.305 -14.129   3.852
  127    HD3  ARG  16           HD3      ARG  16  20.109 -13.407   2.458
  128    HE   ARG  16           HE       ARG  16  22.133 -14.522   3.907
  129   HH11  ARG  16          HH11      ARG  16  19.154 -15.694   2.539
  130   HH12  ARG  16          HH12      ARG  16  19.751 -17.299   2.281
  131   HH21  ARG  16          HH21      ARG  16  22.932 -16.633   3.572
  132   HH22  ARG  16          HH22      ARG  16  21.900 -17.832   2.870
  133    H    GLU  17           H        GLU  17  20.381  -8.550   4.040
  134    HA   GLU  17           HA       GLU  17  18.092  -8.957   5.710
  135    HB2  GLU  17           HB2      GLU  17  20.016  -6.662   5.366
  136    HB3  GLU  17           HB3      GLU  17  18.649  -6.584   6.469
  137    HG2  GLU  17           HG2      GLU  17  19.690  -8.864   7.325
  138    HG3  GLU  17           HG3      GLU  17  21.157  -8.148   6.658
  139    H    LYS  18           H        LYS  18  18.830  -6.991   2.889
  140    HA   LYS  18           HA       LYS  18  16.504  -5.390   2.943
  141    HB2  LYS  18           HB2      LYS  18  18.516  -4.853   1.609
  142    HB3  LYS  18           HB3      LYS  18  18.171  -6.222   0.560
  143    HG2  LYS  18           HG2      LYS  18  16.410  -5.178  -0.461
  144    HG3  LYS  18           HG3      LYS  18  16.071  -4.149   0.933
  145    HD2  LYS  18           HD2      LYS  18  17.011  -2.592  -0.441
  146    HD3  LYS  18           HD3      LYS  18  18.478  -3.198   0.332
  147    HE2  LYS  18           HE2      LYS  18  18.980  -4.588  -1.533
  148    HE3  LYS  18           HE3      LYS  18  17.398  -4.299  -2.254
  149    HZ1  LYS  18           HZ1      LYS  18  17.984  -2.045  -2.689
  150    HZ2  LYS  18           HZ2      LYS  18  19.231  -3.019  -3.286
  151    HZ3  LYS  18           HZ3      LYS  18  19.435  -2.183  -1.830
  152    H    LYS  19           H        LYS  19  17.259  -8.423   1.262
  153    HA   LYS  19           HA       LYS  19  14.910  -8.718  -0.185
  154    HB2  LYS  19           HB2      LYS  19  16.956 -10.153  -0.365
  155    HB3  LYS  19           HB3      LYS  19  16.467 -10.954   1.122
  156    HG2  LYS  19           HG2      LYS  19  14.250 -11.400  -0.153
  157    HG3  LYS  19           HG3      LYS  19  15.225 -11.076  -1.589
  158    HD2  LYS  19           HD2      LYS  19  16.523 -12.945  -1.294
  159    HD3  LYS  19           HD3      LYS  19  16.280 -12.971   0.454
  160    HE2  LYS  19           HE2      LYS  19  13.951 -13.692   0.089
  161    HE3  LYS  19           HE3      LYS  19  14.248 -13.721  -1.648
  162    HZ1  LYS  19           HZ1      LYS  19  14.823 -15.703   0.282
  163    HZ2  LYS  19           HZ2      LYS  19  16.254 -15.230  -0.484
  164    HZ3  LYS  19           HZ3      LYS  19  14.949 -15.792  -1.402
  165    H    GLN  20           H        GLN  20  15.579  -9.420   3.192
  166    HA   GLN  20           HA       GLN  20  13.143 -10.804   3.696
  167    HB2  GLN  20           HB2      GLN  20  15.131 -11.063   5.122
  168    HB3  GLN  20           HB3      GLN  20  14.989  -9.384   5.624
  169    HG2  GLN  20           HG2      GLN  20  13.178  -9.788   6.961
  170    HG3  GLN  20           HG3      GLN  20  12.669 -11.198   6.032
  171   HE21  GLN  20          HE21      GLN  20  14.530 -12.940   6.034
  172   HE22  GLN  20          HE22      GLN  20  15.108 -13.345   7.611
  173    H    CYS  21           H        CYS  21  14.174  -7.446   3.968
  174    HA   CYS  21           HA       CYS  21  11.886  -6.486   5.317
  175    HB2  CYS  21           HB2      CYS  21  13.873  -5.142   5.298
  176    HB3  CYS  21           HB3      CYS  21  13.900  -5.106   3.538
  177    H    LYS  22           H        LYS  22  12.726  -6.631   1.872
  178    HA   LYS  22           HA       LYS  22  10.365  -5.394   0.935
  179    HB2  LYS  22           HB2      LYS  22  10.992  -6.311  -1.257
  180    HB3  LYS  22           HB3      LYS  22  12.364  -5.563  -0.451
  181    HG2  LYS  22           HG2      LYS  22  13.214  -7.737   0.188
  182    HG3  LYS  22           HG3      LYS  22  11.804  -8.521  -0.528
  183    HD2  LYS  22           HD2      LYS  22  13.545  -8.721  -2.118
  184    HD3  LYS  22           HD3      LYS  22  12.482  -7.445  -2.716
  185    HE2  LYS  22           HE2      LYS  22  14.203  -6.045  -2.774
  186    HE3  LYS  22           HE3      LYS  22  14.417  -6.238  -1.035
  187    HZ1  LYS  22           HZ1      LYS  22  16.266  -6.896  -2.828
  188    HZ2  LYS  22           HZ2      LYS  22  15.473  -8.382  -2.682
  189    HZ3  LYS  22           HZ3      LYS  22  16.135  -7.640  -1.314
  190    H    GLU  23           H        GLU  23  11.198  -8.728   1.666
  191    HA   GLU  23           HA       GLU  23   8.990  -9.975   0.458
  192    HB2  GLU  23           HB2      GLU  23  11.166 -10.961   1.554
  193    HB3  GLU  23           HB3      GLU  23  10.165 -11.036   2.997
  194    HG2  GLU  23           HG2      GLU  23   8.983 -12.775   2.242
  195    HG3  GLU  23           HG3      GLU  23   8.895 -12.132   0.603
  196    H    GLY  24           H        GLY  24   9.451  -8.685   3.730
  197    HA2  GLY  24           HA2      GLY  24   7.113  -9.533   4.931
  198    HA3  GLY  24           HA3      GLY  24   7.918  -8.017   5.306
  199    H    CYS  25           H        CYS  25   7.561  -6.921   2.630
  200    HA   CYS  25           HA       CYS  25   4.957  -5.797   3.015
  201    HB2  CYS  25           HB2      CYS  25   7.021  -5.460   0.834
  202    HB3  CYS  25           HB3      CYS  25   5.495  -4.582   0.866
  203    H    ARG  26           H        ARG  26   6.376  -8.160   0.837
  204    HA   ARG  26           HA       ARG  26   4.230  -8.329  -0.986
  205    HB2  ARG  26           HB2      ARG  26   6.466  -9.222  -1.471
  206    HB3  ARG  26           HB3      ARG  26   6.257 -10.436  -0.216
  207    HG2  ARG  26           HG2      ARG  26   5.671 -11.708  -1.982
  208    HG3  ARG  26           HG3      ARG  26   4.094 -10.976  -1.682
  209    HD2  ARG  26           HD2      ARG  26   4.244  -9.579  -3.497
  210    HD3  ARG  26           HD3      ARG  26   6.007  -9.562  -3.471
  211    HE   ARG  26           HE       ARG  26   4.306 -11.445  -4.834
  212   HH11  ARG  26          HH11      ARG  26   7.470 -10.852  -3.510
  213   HH12  ARG  26          HH12      ARG  26   8.254 -12.024  -4.516
  214   HH21  ARG  26          HH21      ARG  26   5.326 -12.991  -6.165
  215   HH22  ARG  26          HH22      ARG  26   7.034 -13.240  -6.027
  216    H    TYR  27           H        TYR  27   5.108 -10.528   1.686
  217    HA   TYR  27           HA       TYR  27   2.300 -10.925   2.297
  218    HB2  TYR  27           HB2      TYR  27   4.028 -13.016   1.054
  219    HB3  TYR  27           HB3      TYR  27   2.881 -13.513   2.293
  220    HD1  TYR  27           HD1      TYR  27   3.308 -13.187  -1.123
  221    HD2  TYR  27           HD2      TYR  27   0.441 -12.390   1.918
  222    HE1  TYR  27           HE1      TYR  27   1.518 -13.228  -2.809
  223    HE2  TYR  27           HE2      TYR  27  -1.358 -12.430   0.241
  224    HH   TYR  27           HH       TYR  27  -1.173 -13.756  -2.624
  225    H    GLY  28           H        GLY  28   2.428 -10.339   4.384
  226    HA2  GLY  28           HA2      GLY  28   3.909 -12.058   6.188
  227    HA3  GLY  28           HA3      GLY  28   4.444 -10.384   6.163