*HEADER    HYDROLASE INHIBITOR                     12-DEC-13   2MIA              
*TITLE     SOLUTION STRUCTURE OF ALLATIDE O4, CONFORMATION 2                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA AMYLASE INHIBITOR;                                   
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ALLAMANDA OENOTHERAEFOLIA;                      
*SOURCE   3 ORGANISM_TAXID: 1338028                                              
*KEYWDS    HYDROLASE INHIBITOR                                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.BAI, K.PERVUSHIN                                                    
*REVDAT   1   14-JAN-15 2MIA    0                                                


# Number of dimensions 2
#INAME 1 H
#INAME 2 H
   1   9.606   0.897 0 U         -1.288e+001 0.00e+000 -   0  301  190 0
# H N13/HD1 I11
   2   0.897   9.606 0 U         8.077e+001 0.00e+000 -   0  190  301 0
# HD1 I11/H N13
   3   2.746   3.725 0 U         8.739e+002 0.00e+000 -   0  222  302 0
# HB2 C21/HA N13
   4   3.725   2.746 0 U         8.198e+002 0.00e+000 -   0  302  222 0
# HA N13/HB2 C21
   5   8.155   4.176 0 U         -7.097e+001 0.00e+000 -   0  232  207 0
# H I12/HA I11
   6   4.176   8.155 0 U         1.209e+002 0.00e+000 -   0  207  232 0
# HA I11/H I12
   7   3.849   7.983 0 U         8.454e+001 0.00e+000 -   0  273  315 0
# HD2 P24/H I25
   8   7.983   3.849 0 U         1.078e+003 0.00e+000 -   0  315  273 0
# H I25/HD2 P24
   9   7.827   7.983 0 U         1.538e+003 0.00e+000 -   0  317  315 0
# H I26/H I25
  10   7.983   7.827 0 U         5.929e+002 0.00e+000 -   0  315  317 0
# H I25/H I26
  11   7.827   4.094 0 U         9.415e+001 0.00e+000 -   0  317  320 0
# H I26/HA G27
  12   4.094   7.827 0 U         -3.636e+001 0.00e+000 -   0  320  317 0
# HA G27/H I26
  13   9.118   3.242 0 U         9.431e+002 0.00e+000 -   0  234  247 0
# H I2/HB2 C8
  14   3.242   9.118 0 U         7.162e+002 0.00e+000 -   0  247  234 0
# HB2 C8/H I2
  15   4.305   8.222 0 U         6.603e+001 0.00e+000 -   0  173   78 0
# HB T22/H F28
  16   8.222   4.305 0 U         2.185e+002 0.00e+000 -   0   78  173 0
# H F28/HB T22
  17   7.304   8.676 0 U         1.138e+002 0.00e+000 -   0  356  220 0
# HD F28/H C21
  18   8.676   7.304 0 U         1.890e+002 0.00e+000 -   0  220  356 0
# H C21/HD F28
  19   2.286   8.047 0 U         3.240e+002 0.00e+000 -   0  287  180 0
# HG3 Q14/H C15
  20   8.047   2.286 0 U         2.392e+002 0.00e+000 -   0  180  287 0
# H C15/HG3 Q14
  21   4.557   7.983 0 U         -1.175e+002 0.00e+000 -   0  241  331 0
# HA L30/H Y5
  22   7.983   4.557 0 U         4.663e+002 0.00e+000 -   0  331  241 0
# H Y5/HA L30
  23   8.713   2.984 0 U         2.214e+002 0.00e+000 -   0  240  183 0
# H L30/HB3 C15
  24   2.984   8.713 0 U         2.253e+002 0.00e+000 -   0  183  240 0
# HB3 C15/H L30
  25   8.713   3.203 0 U         2.840e+002 0.00e+000 -   0  240  182 0
# H L30/HB2 C15
  26   3.203   8.713 0 U         1.648e+002 0.00e+000 -   0  182  240 0
# HB2 C15/H L30
  27   8.713   2.971 0 U         2.144e+002 0.00e+000 -   0  240  186 0
# H L30/HB2 C29
  28   2.971   8.713 0 U         4.320e+001 0.00e+000 -   0  186  240 0
# HB2 C29/H L30
  29   8.713   2.739 0 U         6.114e+002 0.00e+000 -   0  240  187 0
# H L30/HB3 C29
  30   2.739   8.713 0 U         1.495e+002 0.00e+000 -   0  187  240 0
# HB3 C29/H L30
  31   2.035   7.983 0 U         3.491e+002 0.00e+000 -   0  276  315 0
# HB3 P24/H I25
  32   7.983   2.035 0 U         4.275e+002 0.00e+000 -   0  315  276 0
# H I25/HB3 P24
  33   4.819   8.713 0 U         -8.729e+003 0.00e+000 -   0  332  240 0
# HA Y5/H L30
  34   8.713   4.819 0 U         1.489e+003 0.00e+000 -   0  240  332 0
# H L30/HA Y5
  35   7.983   4.207 0 U         1.017e+002 0.00e+000 -   0  331  282 0
# H Y5/HA2 G6
  36   4.207   7.983 0 U         4.111e+001 0.00e+000 -   0  282  331 0
# HA2 G6/H Y5
  37   8.748   4.169 0 U         2.307e+001 0.00e+000 -   0  176  235 0
# H C16/HA I2
  38   4.169   8.748 0 U         1.649e+001 0.00e+000 -   0  235  176 0
# HA I2/H C16
  39   8.748   8.047 0 U         5.650e+001 0.00e+000 -   0  176  180 0
# H C16/H C15
  40   8.047   8.748 0 U         -2.971e+001 0.00e+000 -   0  180  176 0
# H C15/H C16
  41   8.434   8.748 0 U         7.183e+002 0.00e+000 -   0  339  176 0
# H D17/H C16
  42   8.748   8.434 0 U         7.763e+002 0.00e+000 -   0  176  339 0
# H C16/H D17
  43   8.397   8.559 0 U         2.064e+003 0.00e+000 -   0  345  109 0
# H D9/H G10
  44   8.559   8.397 0 U         2.677e+003 0.00e+000 -   0  109  345 0
# H G10/H D9
  45   8.455   7.304 0 U         2.685e+002 0.00e+000 -   0  245  356 0
# H C8/HD F28
  46   7.304   8.455 0 U         4.087e+002 0.00e+000 -   0  356  245 0
# HD F28/H C8
  47   7.827   7.701 0 U         3.256e+003 0.00e+000 -   0  317  319 0
# H I26/H G27
  48   7.701   7.827 0 U         1.843e+003 0.00e+000 -   0  319  317 0
# H G27/H I26
  49   7.388   9.429 0 U         2.486e+002 0.00e+000 -   0  379    9 0
# HE3 W19/H L20
  50   9.429   7.388 0 U         7.439e+001 0.00e+000 -   0    9  379 0
# H L20/HE3 W19
  51   8.781   1.453 0 U         2.030e+002 0.00e+000 -   0  311  261 0
# H W19/HG L20
  52   1.453   8.781 0 U         7.960e+000 0.00e+000 -   0  261  311 0
# HG L20/H W19
  53   8.713   1.576 0 U         4.893e+002 0.00e+000 -   0  240  103 0
# H L30/HB L20
  54   1.576   8.713 0 U         1.087e+002 0.00e+000 -   0  103  240 0
# HB L20/H L30
  55   0.887   8.713 0 U         4.454e+002 0.00e+000 -   0  105  240 0
# HD1 L20/H L30
  56   8.713   0.887 0 U         2.039e+002 0.00e+000 -   0  240  105 0
# H L30/HD1 L20
  57   8.713   8.885 0 U         1.400e+003 0.00e+000 -   0  240  184 0
# H L30/H C29
  58   8.885   8.713 0 U         2.789e+003 0.00e+000 -   0  184  240 0
# H C29/H L30
  59   7.304   8.885 0 U         2.690e+002 0.00e+000 -   0  356  184 0
# HD F28/H C29
  60   8.885   7.304 0 U         3.329e+002 0.00e+000 -   0  184  356 0
# H C29/HD F28
  61   8.713   9.429 0 U         5.250e+002 0.00e+000 -   0  240    9 0
# H L30/H L20
  62   9.429   8.713 0 U         8.036e+002 0.00e+000 -   0    9  240 0
# H L20/H L30
  63   8.713   8.676 0 U         4.980e+004 0.00e+000 -   0  240  220 0
# H L30/H C21
  64   8.676   8.713 0 U         1.554e+003 0.00e+000 -   0  220  240 0
# H C21/H L30
  65   1.148   1.073 0 U         1.704e+004 0.00e+000 -   0  205  329 0
# HG2 I11/HG2 I25
  66   1.073   1.148 0 U         1.544e+004 0.00e+000 -   0  329  205 0
# HG2 I25/HG2 I11
  67   1.872   4.111 0 U         3.123e+003 0.00e+000 -   0  249  181 0
# HB I2/HA C15
  68   4.111   1.872 0 U         2.004e+002 0.00e+000 -   0  181  249 0
# HA C15/HB I2
  69   4.305   9.429 0 U         -1.015e+002 0.00e+000 -   0  173    9 0
# HB T22/H L20
  70   9.429   4.305 0 U         2.728e+002 0.00e+000 -   0    9  173 0
# H L20/HB T22
  71   4.305   8.713 0 U         5.422e+001 0.00e+000 -   0  173  240 0
# HB T22/H L30
  72   8.713   4.305 0 U         2.637e+002 0.00e+000 -   0  240  173 0
# H L30/HB T22
  73   3.976   7.983 0 U         3.625e+003 0.00e+000 -   0  272  315 0
# HA P24/H I25
  74   7.983   3.976 0 U         -7.492e+004 0.00e+000 -   0  315  272 0
# H I25/HA P24
  75   2.725   8.885 0 U         -5.594e+002 0.00e+000 -   0   89  184 0
# HB2 F28/H C29
  76   8.885   2.725 0 U         3.598e+002 0.00e+000 -   0  184   89 0
# H C29/HB2 F28
  77   2.739   8.676 0 U         -3.121e+002 0.00e+000 -   0  187  220 0
# HB3 C29/H C21
  78   8.676   2.739 0 U         1.024e+002 0.00e+000 -   0  220  187 0
# H C21/HB3 C29
  79   8.676   2.971 0 U         1.788e+002 0.00e+000 -   0  220  186 0
# H C21/HB2 C29
  80   2.971   8.676 0 U         3.283e+001 0.00e+000 -   0  186  220 0
# HB2 C29/H C21
  81   8.676   1.576 0 U         9.044e+001 0.00e+000 -   0  220  103 0
# H C21/HB L20
  82   1.576   8.676 0 U         4.605e+001 0.00e+000 -   0  103  220 0
# HB L20/H C21
  83   7.806   4.623 0 U         -3.893e+001 0.00e+000 -   0  366  290 0
# HE1 Y5/HA H4
  84   4.623   7.806 0 U         1.571e+002 0.00e+000 -   0  290  366 0
# HA H4/HE1 Y5
  85   3.559   1.059 0 U         2.047e+003 0.00e+000 -   0  281  251 0
# HA3 G6/HG2 I2
  86   1.059   3.559 0 U         9.557e+002 0.00e+000 -   0  251  281 0
# HG2 I2/HA3 G6
  87   3.849   4.094 0 U         9.577e+002 0.00e+000 -   0  273  320 0
# HD2 P24/HA G27
  88   4.094   3.849 0 U         4.137e+002 0.00e+000 -   0  320  273 0
# HA G27/HD2 P24
  89   7.304   4.094 0 U         1.832e+003 0.00e+000 -   0  356  320 0
# HD F28/HA G27
  90   4.094   7.304 0 U         3.528e+002 0.00e+000 -   0  320  356 0
# HA G27/HD F28
  91   7.373   4.094 0 U         5.792e+002 0.00e+000 -   0  357  320 0
# HZ F28/HA G27
  92   4.094   7.373 0 U         6.024e+001 0.00e+000 -   0  320  357 0
# HA G27/HZ F28
  93   8.748   9.118 0 U         1.891e+002 0.00e+000 -   0  176  234 0
# H C16/H I2
  94   9.118   8.748 0 U         5.583e+002 0.00e+000 -   0  234  176 0
# H I2/H C16
  95   7.983   3.409 0 U         -6.612e+001 0.00e+000 -   0  331  291 0
# H Y5/HB2 H4
  96   3.409   7.983 0 U         8.403e+001 0.00e+000 -   0  291  331 0
# HB2 H4/H Y5
  97   1.810   1.039 0 U         5.832e+003 0.00e+000 -   0  327  325 0
# HB I25/HG2 I26
  98   1.039   1.810 0 U         3.416e+003 0.00e+000 -   0  325  327 0
# HG2 I26/HB I25
  99   1.895   1.810 0 U         4.444e+004 0.00e+000 -   0  323  327 0
# HB I26/HB I25
 100   1.810   1.895 0 U         1.706e+004 0.00e+000 -   0  327  323 0
# HB I25/HB I26
 101   1.441   7.827 0 U         -8.870e+000 0.00e+000 -   0  328  317 0
# HG1 I25/H I26
 102   7.827   1.441 0 U         9.188e+001 0.00e+000 -   0  317  328 0
# H I26/HG1 I25
 103   1.895   7.701 0 U         4.406e+001 0.00e+000 -   0  323  319 0
# HB I26/H G27
 104   7.701   1.895 0 U         2.334e+002 0.00e+000 -   0  319  323 0
# H G27/HB I26
 105   7.701   1.039 0 U         2.837e+002 0.00e+000 -   0  319  325 0
# H G27/HG2 I26
 106   1.039   7.701 0 U         2.241e+001 0.00e+000 -   0  325  319 0
# HG2 I26/H G27
 107   0.860   7.701 0 U         1.049e+003 0.00e+000 -   0  326  319 0
# HD1 I26/H G27
 108   7.701   0.860 0 U         1.028e+003 0.00e+000 -   0  319  326 0
# H G27/HD1 I26
 109   7.701   1.406 0 U         2.955e+002 0.00e+000 -   0  319  199 0
# H G27/HG2 K7
 110   1.406   7.701 0 U         1.624e+002 0.00e+000 -   0  199  319 0
# HG2 K7/H G27
 111   1.030   1.576 0 U         2.186e+003 0.00e+000 -   0  244  103 0
# HD L30/HB L20
 112   1.576   1.030 0 U         1.051e+003 0.00e+000 -   0  103  244 0
# HB L20/HD L30
 113   6.988   2.752 0 U         1.383e+003 0.00e+000 -   0  367  178 0
# HE2 Y5/HB2 C16
 114   2.752   6.988 0 U         7.033e+002 0.00e+000 -   0  178  367 0
# HB2 C16/HE2 Y5
 115   2.641   6.988 0 U         2.668e+002 0.00e+000 -   0  179  367 0
# HB3 C16/HE2 Y5
 116   6.988   2.641 0 U         8.172e+002 0.00e+000 -   0  367  179 0
# HE2 Y5/HB3 C16
 117   6.988   0.881 0 U         4.606e+002 0.00e+000 -   0  367  298 0
# HE2 Y5/HD1 I12
 118   0.881   6.988 0 U         2.836e+002 0.00e+000 -   0  298  367 0
# HD1 I12/HE2 Y5
 119   0.809   6.260 0 U         -5.176e+001 0.00e+000 -   0  250  310 0
# HD1 I2/HD22 N13
 120   6.260   0.809 0 U         -1.537e+001 0.00e+000 -   0  310  250 0
# HD22 N13/HD1 I2
 121   0.809   6.624 0 U         -3.759e+001 0.00e+000 -   0  250  307 0
# HD1 I2/HD21 N13
 122   6.624   0.809 0 U         -6.839e+001 0.00e+000 -   0  307  250 0
# HD21 N13/HD1 I2
 123   8.455   1.572 0 U         2.104e+002 0.00e+000 -   0  245  202 0
# H C8/HD K7
 124   1.572   8.455 0 U         8.883e+001 0.00e+000 -   0  202  245 0
# HD K7/H C8
 125   8.455   1.406 0 U         6.186e+002 0.00e+000 -   0  245  199 0
# H C8/HG2 K7
 126   1.406   8.455 0 U         2.527e+002 0.00e+000 -   0  199  245 0
# HG2 K7/H C8
 127   8.455   2.948 0 U         1.035e+002 0.00e+000 -   0  245  197 0
# H C8/HE2 K7
 128   2.948   8.455 0 U         8.172e+001 0.00e+000 -   0  197  245 0
# HE2 K7/H C8
 129   2.750   8.455 0 U         8.821e+002 0.00e+000 -   0  198  245 0
# HE3 K7/H C8
 130   8.455   2.750 0 U         3.280e+002 0.00e+000 -   0  245  198 0
# H C8/HE3 K7
 131   8.455   1.725 0 U         5.714e+002 0.00e+000 -   0  245  201 0
# H C8/HB2 K7
 132   1.725   8.455 0 U         2.069e+002 0.00e+000 -   0  201  245 0
# HB2 K7/H C8
 133   8.455   1.250 0 U         4.653e+002 0.00e+000 -   0  245  200 0
# H C8/HG3 K7
 134   1.250   8.455 0 U         3.618e+002 0.00e+000 -   0  200  245 0
# HG3 K7/H C8
 135   8.343   1.059 0 U         -6.331e+002 0.00e+000 -   0  191  251 0
# H K7/HG2 I2
 136   1.059   8.343 0 U         -7.151e+002 0.00e+000 -   0  251  191 0
# HG2 I2/H K7
 137   0.809   8.343 0 U         -4.646e+001 0.00e+000 -   0  250  191 0
# HD1 I2/H K7
 138   8.343   0.809 0 U         3.984e+002 0.00e+000 -   0  191  250 0
# H K7/HD1 I2
 139   8.885   1.059 0 U         2.595e+002 0.00e+000 -   0  184  251 0
# H C29/HG2 I2
 140   1.059   8.885 0 U         -1.752e+002 0.00e+000 -   0  251  184 0
# HG2 I2/H C29
 141   8.646   1.059 0 U         2.214e+002 0.00e+000 -   0  279  251 0
# H G6/HG2 I2
 142   1.059   8.646 0 U         -1.072e+002 0.00e+000 -   0  251  279 0
# HG2 I2/H G6
 143   1.872   8.646 0 U         3.415e+001 0.00e+000 -   0  249  279 0
# HB I2/H G6
 144   8.646   1.872 0 U         5.150e+002 0.00e+000 -   0  279  249 0
# H G6/HB I2
 145   8.346   1.073 0 U         1.869e+003 0.00e+000 -   0  188  329 0
# H I11/HG2 I25
 146   1.073   8.346 0 U         1.679e+003 0.00e+000 -   0  329  188 0
# HG2 I25/H I11
 147   8.346   1.441 0 U         1.387e+003 0.00e+000 -   0  188  328 0
# H I11/HG1 I25
 148   1.441   8.346 0 U         1.216e+003 0.00e+000 -   0  328  188 0
# HG1 I25/H I11
 149   6.988   8.085 0 U         5.583e+002 0.00e+000 -   0  367  381 0
# HE2 Y5/HD2 H4
 150   8.085   6.988 0 U         5.287e+002 0.00e+000 -   0  381  367 0
# HD2 H4/HE2 Y5
 151   2.325   8.085 0 U         5.533e+002 0.00e+000 -   0  348  381 0
# HB2 W19/HD2 H4
 152   8.085   2.325 0 U         7.838e+002 0.00e+000 -   0  381  348 0
# HD2 H4/HB2 W19
 153   6.957   6.957 0 U         2.073e+004 0.00e+000 -   0  382  382 0
# HE1/HE1 H4
 154   6.957   2.609 0 U         3.723e+002 0.00e+000 -   0  382  292 0
# HE1/HB3 H4
 155   6.957   3.409 0 U         1.238e+002 0.00e+000 -   0  382  291 0
# HE1/HB2 H4
 156   6.957   4.623 0 U         2.741e+001 0.00e+000 -   0  382  290 0
# HE1/HA H4
 157   6.957  10.081 0 U         -7.322e+001 0.00e+000 -   0  382  289 0
# HE1/H H4
 158   6.957   8.085 0 U         9.591e+002 0.00e+000 -   0  382  381 0
# HE1/HD2 H4
 159   2.609   6.957 0 U         1.779e+002 0.00e+000 -   0  292  382 0
# HB3/HE1 H4
 160   3.409   6.957 0 U         -8.130e+000 0.00e+000 -   0  291  382 0
# HB2/HE1 H4
 161   4.623   6.957 0 U         5.514e+002 0.00e+000 -   0  290  382 0
# HA/HE1 H4
 162  10.081   6.957 0 U         -8.386e+001 0.00e+000 -   0  289  382 0
# H/HE1 H4
 163   8.085   6.957 0 U         1.569e+003 0.00e+000 -   0  381  382 0
# HD2/HE1 H4
 164   2.609   8.085 0 U         1.623e+002 0.00e+000 -   0  292  381 0
# HB3/HD2 H4
 165   3.409   8.085 0 U         -1.660e+001 0.00e+000 -   0  291  381 0
# HB2/HD2 H4
 166   4.623   8.085 0 U         -6.301e+002 0.00e+000 -   0  290  381 0
# HA/HD2 H4
 167  10.081   8.085 0 U         -2.845e+001 0.00e+000 -   0  289  381 0
# H/HD2 H4
 168   8.085   2.609 0 U         6.917e+001 0.00e+000 -   0  381  292 0
# HD2/HB3 H4
 169   8.085   3.409 0 U         -1.626e+001 0.00e+000 -   0  381  291 0
# HD2/HB2 H4
 170   8.085   4.623 0 U         2.554e+001 0.00e+000 -   0  381  290 0
# HD2/HA H4
 171   8.085  10.081 0 U         5.081e+001 0.00e+000 -   0  381  289 0
# HD2/H H4
 172   8.085   8.085 0 U         1.693e+004 0.00e+000 -   0  381  381 0
# HD2/HD2 H4
 173   8.155   1.148 0 U         1.530e+002 0.00e+000 -   0  232  205 0
# H I12/HG2 I11
 174   1.148   8.155 0 U         3.749e+002 0.00e+000 -   0  205  232 0
# HG2 I11/H I12
 175   1.872   8.748 0 U         3.229e+002 0.00e+000 -   0  249  176 0
# HB I2/H C16
 176   8.748   1.872 0 U         1.459e+003 0.00e+000 -   0  176  249 0
# H C16/HB I2
 177   7.983   2.335 0 U         8.639e+002 0.00e+000 -   0  315  275 0
# H I25/HB2 P24
 178   2.335   7.983 0 U         3.089e+002 0.00e+000 -   0  275  315 0
# HB2 P24/H I25
 179  10.081   6.914 0 U         2.607e+002 0.00e+000 -   0  289  353 0
# H H4/HD1 W19
 180   6.914  10.081 0 U         -1.929e+001 0.00e+000 -   0  353  289 0
# HD1 W19/H H4
 181   2.752   8.047 0 U         -4.928e+001 0.00e+000 -   0  178  180 0
# HB2 C16/H C15
 182   8.047   2.752 0 U         2.070e+000 0.00e+000 -   0  180  178 0
# H C15/HB2 C16
 183   7.983   2.971 0 U         4.727e+002 0.00e+000 -   0  331  186 0
# H Y5/HB2 C29
 184   2.971   7.983 0 U         3.238e+002 0.00e+000 -   0  186  331 0
# HB2 C29/H Y5
 185   8.559   1.865 0 U         1.889e+002 0.00e+000 -   0  109  203 0
# H G10/HB I11
 186   1.865   8.559 0 U         -2.040e+001 0.00e+000 -   0  203  109 0
# HB I11/H G10
 187   2.797   8.559 0 U         1.303e+002 0.00e+000 -   0  347  109 0
# HB D9/H G10
 188   8.559   2.797 0 U         3.108e+002 0.00e+000 -   0  109  347 0
# H G10/HB D9
 189   8.713   1.875 0 U         6.091e+002 0.00e+000 -   0  240  358 0
# H L30/HB3 W19
 190   1.875   8.713 0 U         4.287e+002 0.00e+000 -   0  358  240 0
# HB3 W19/H L30
 191   6.819   2.340 0 U         -1.311e+002 0.00e+000 -   0  380  374 0
# HZ3 W19/HD P18
 192   2.340   6.819 0 U         1.178e+002 0.00e+000 -   0  374  380 0
# HD P18/HZ3 W19
 193   8.397   3.242 0 U         5.060e+002 0.00e+000 -   0  345  247 0
# H D9/HB2 C8
 194   3.242   8.397 0 U         7.811e+002 0.00e+000 -   0  247  345 0
# HB2 C8/H D9
 195   8.397   2.861 0 U         1.687e+003 0.00e+000 -   0  345  248 0
# H D9/HB3 C8
 196   2.861   8.397 0 U         1.808e+003 0.00e+000 -   0  248  345 0
# HB3 C8/H D9
 197   2.752   6.914 0 U         9.726e+001 0.00e+000 -   0  178  353 0
# HB2 C16/HD1 W19
 198   6.914   2.752 0 U         2.637e+002 0.00e+000 -   0  353  178 0
# HD1 W19/HB2 C16
 199   2.641   6.914 0 U         2.482e+002 0.00e+000 -   0  179  353 0
# HB3 C16/HD1 W19
 200   6.914   2.641 0 U         2.516e+002 0.00e+000 -   0  353  179 0
# HD1 W19/HB3 C16
 201   8.434   2.752 0 U         4.178e+002 0.00e+000 -   0  339  178 0
# H D17/HB2 C16
 202   2.752   8.434 0 U         -3.574e+002 0.00e+000 -   0  178  339 0
# HB2 C16/H D17
 203   2.641   8.434 0 U         4.070e+001 0.00e+000 -   0  179  339 0
# HB3 C16/H D17
 204   8.434   2.641 0 U         -2.259e+001 0.00e+000 -   0  339  179 0
# H D17/HB3 C16
 205   9.384   1.576 0 U         9.623e+002 0.00e+000 -   0  171  103 0
# H T22/HB L20
 206   1.576   9.384 0 U         8.751e+002 0.00e+000 -   0  103  171 0
# HB L20/H T22
 207   9.384   1.453 0 U         2.731e+002 0.00e+000 -   0  171  261 0
# H T22/HG L20
 208   1.453   9.384 0 U         4.050e+002 0.00e+000 -   0  261  171 0
# HG L20/H T22
 209   9.384   4.695 0 U         4.251e+002 0.00e+000 -   0  171   51 0
# H T22/HA L20
 210   4.695   9.384 0 U         5.800e+002 0.00e+000 -   0   51  171 0
# HA L20/H T22
 211   7.983   3.942 0 U         3.026e+006 0.00e+000 -   0  315  219 0
# H I25/HA3 G10
 212   3.942   7.983 0 U         -4.796e+003 0.00e+000 -   0  219  315 0
# HA3 G10/H I25
 213   4.259   8.885 0 U         3.623e+001 0.00e+000 -   0  229  184 0
# HA K7/H C29
 214   8.885   4.259 0 U         3.371e+002 0.00e+000 -   0  184  229 0
# H C29/HA K7
 215   7.304   1.250 0 U         1.302e+003 0.00e+000 -   0  356  200 0
# HD F28/HG3 K7
 216   1.250   7.304 0 U         1.961e+002 0.00e+000 -   0  200  356 0
# HG3 K7/HD F28
 217   7.373   1.250 0 U         1.888e+003 0.00e+000 -   0  357  200 0
# HZ F28/HG3 K7
 218   1.250   7.373 0 U         4.318e+002 0.00e+000 -   0  200  357 0
# HG3 K7/HZ F28
 219   7.304   1.406 0 U         3.972e+002 0.00e+000 -   0  356  199 0
# HD F28/HG2 K7
 220   1.406   7.304 0 U         8.957e-001 0.00e+000 -   0  199  356 0
# HG2 K7/HD F28
 221   7.373   1.406 0 U         6.075e+002 0.00e+000 -   0  357  199 0
# HZ F28/HG2 K7
 222   1.406   7.373 0 U         1.194e+002 0.00e+000 -   0  199  357 0
# HG2 K7/HZ F28
 223   1.572   7.304 0 U         1.860e+002 0.00e+000 -   0  202  356 0
# HD K7/HD F28
 224   7.304   1.572 0 U         9.020e+002 0.00e+000 -   0  356  202 0
# HD F28/HD K7
 225   7.373   1.572 0 U         9.185e+002 0.00e+000 -   0  357  202 0
# HZ F28/HD K7
 226   1.572   7.373 0 U         3.045e+002 0.00e+000 -   0  202  357 0
# HD K7/HZ F28
 227   7.304   1.725 0 U         3.541e+002 0.00e+000 -   0  356  201 0
# HD F28/HB2 K7
 228   1.725   7.304 0 U         6.233e+001 0.00e+000 -   0  201  356 0
# HB2 K7/HD F28
 229   7.373   1.725 0 U         4.395e+002 0.00e+000 -   0  357  201 0
# HZ F28/HB2 K7
 230   1.725   7.373 0 U         1.039e+002 0.00e+000 -   0  201  357 0
# HB2 K7/HZ F28
 231   7.304   4.259 0 U         3.636e+003 0.00e+000 -   0  356  229 0
# HD F28/HA K7
 232   4.259   7.304 0 U         3.586e+002 0.00e+000 -   0  229  356 0
# HA K7/HD F28
 233   7.373   4.259 0 U         8.882e+002 0.00e+000 -   0  357  229 0
# HZ F28/HA K7
 234   4.259   7.373 0 U         -1.233e+001 0.00e+000 -   0  229  357 0
# HA K7/HZ F28
 235   3.504   7.983 0 U         5.055e+003 0.00e+000 -   0  372  315 0
# HA P18/H I25
 236   7.983   3.504 0 U         -6.702e+003 0.00e+000 -   0  315  372 0
# H I25/HA P18
 237   9.384   4.094 0 U         1.129e+003 0.00e+000 -   0  171  320 0
# H T22/HA G27
 238   4.094   9.384 0 U         7.148e+001 0.00e+000 -   0  320  171 0
# HA G27/H T22
 239   4.994   7.983 0 U         1.012e+002 0.00e+000 -   0  246  315 0
# HA C8/H I25
 240   7.983   4.994 0 U         1.236e+002 0.00e+000 -   0  315  246 0
# H I25/HA C8
 241   4.994   7.701 0 U         -5.790e+002 0.00e+000 -   0  246  319 0
# HA C8/H G27
 242   7.701   4.994 0 U         2.867e+002 0.00e+000 -   0  319  246 0
# H G27/HA C8
 243   9.384   5.478 0 U         1.346e+002 0.00e+000 -   0  171   79 0
# H T22/HA F28
 244   5.478   9.384 0 U         -4.385e+001 0.00e+000 -   0   79  171 0
# HA F28/H T22
 245   9.384   5.534 0 U         -6.362e+000 0.00e+000 -   0  171  338 0
# H T22/HA C21
 246   5.534   9.384 0 U         -3.270e+001 0.00e+000 -   0  338  171 0
# HA C21/H T22
 247   8.748   4.855 0 U         1.158e+003 0.00e+000 -   0  176  369 0
# H C16/HA A3
 248   4.855   8.748 0 U         4.616e+003 0.00e+000 -   0  369  176 0
# HA A3/H C16
 249   3.941   8.559 0 U         -4.588e+003 0.00e+000 -   0  346  109 0
# HA D9/H G10
 250   8.559   3.941 0 U         -1.140e+005 0.00e+000 -   0  109  346 0
# H G10/HA D9
 251   8.644   3.293 0 U         1.474e+002 0.00e+000 -   0  283  303 0
# H Q14/HB2 N13
 252   3.293   8.644 0 U         1.279e+002 0.00e+000 -   0  303  283 0
# HB2 N13/H Q14
 253   8.644   3.048 0 U         2.550e+002 0.00e+000 -   0  283  304 0
# H Q14/HB3 N13
 254   3.048   8.644 0 U         3.587e+002 0.00e+000 -   0  304  283 0
# HB3 N13/H Q14
 255   9.118   4.855 0 U         1.906e+003 0.00e+000 -   0  234  369 0
# H I2/HA A3
 256   4.855   9.118 0 U         -6.807e+002 0.00e+000 -   0  369  234 0
# HA A3/H I2
 257   6.819   6.819 0 U         -3.190e+005 0.00e+000 -   0  380  380 0
# HZ3/HZ3 W19
 258   6.819   8.781 0 U         -1.275e+001 0.00e+000 -   0  380  311 0
# HZ3/H W19
 259   6.819   9.725 0 U         -2.800e+001 0.00e+000 -   0  380  352 0
# HZ3/HE1 W19
 260   6.819   7.070 0 U         3.023e+003 0.00e+000 -   0  380  378 0
# HZ3/HZ2 W19
 261   6.819   7.388 0 U         8.017e+002 0.00e+000 -   0  380  379 0
# HZ3/HE3 W19
 262   6.819   2.325 0 U         1.892e+002 0.00e+000 -   0  380  348 0
# HZ3/HB2 W19
 263   6.819   1.875 0 U         1.338e+001 0.00e+000 -   0  380  358 0
# HZ3/HB3 W19
 264   6.819   6.914 0 U         4.903e+003 0.00e+000 -   0  380  353 0
# HZ3/HD1 W19
 265   6.819   4.747 0 U         -6.470e+000 0.00e+000 -   0  380  312 0
# HZ3/HA W19
 266   8.781   6.819 0 U         5.800e+001 0.00e+000 -   0  311  380 0
# H/HZ3 W19
 267   9.725   6.819 0 U         1.104e+002 0.00e+000 -   0  352  380 0
# HE1/HZ3 W19
 268   7.070   6.819 0 U         4.889e+003 0.00e+000 -   0  378  380 0
# HZ2/HZ3 W19
 269   7.388   6.819 0 U         1.764e+003 0.00e+000 -   0  379  380 0
# HE3/HZ3 W19
 270   2.325   6.819 0 U         2.000e+002 0.00e+000 -   0  348  380 0
# HB2/HZ3 W19
 271   1.875   6.819 0 U         4.749e+001 0.00e+000 -   0  358  380 0
# HB3/HZ3 W19
 272   6.914   6.819 0 U         7.018e+003 0.00e+000 -   0  353  380 0
# HD1/HZ3 W19
 273   4.747   6.819 0 U         1.704e+003 0.00e+000 -   0  312  380 0
# HA/HZ3 W19
 274   8.781   7.388 0 U         -7.919e+001 0.00e+000 -   0  311  379 0
# H/HE3 W19
 275   9.725   7.388 0 U         -1.360e+000 0.00e+000 -   0  352  379 0
# HE1/HE3 W19
 276   7.070   7.388 0 U         -1.452e+002 0.00e+000 -   0  378  379 0
# HZ2/HE3 W19
 277   7.388   8.781 0 U         -6.017e+001 0.00e+000 -   0  379  311 0
# HE3/H W19
 278   7.388   9.725 0 U         6.594e+001 0.00e+000 -   0  379  352 0
# HE3/HE1 W19
 279   7.388   7.070 0 U         2.308e+002 0.00e+000 -   0  379  378 0
# HE3/HZ2 W19
 280   7.388   7.388 0 U         -1.238e+005 0.00e+000 -   0  379  379 0
# HE3/HE3 W19
 281   7.388   2.325 0 U         -1.028e+001 0.00e+000 -   0  379  348 0
# HE3/HB2 W19
 282   7.388   1.875 0 U         -6.361e+001 0.00e+000 -   0  379  358 0
# HE3/HB3 W19
 283   7.388   6.914 0 U         5.300e+002 0.00e+000 -   0  379  353 0
# HE3/HD1 W19
 284   7.388   4.747 0 U         1.112e+003 0.00e+000 -   0  379  312 0
# HE3/HA W19
 285   2.325   7.388 0 U         -5.497e+001 0.00e+000 -   0  348  379 0
# HB2/HE3 W19
 286   1.875   7.388 0 U         -7.857e+000 0.00e+000 -   0  358  379 0
# HB3/HE3 W19
 287   6.914   7.388 0 U         2.736e+002 0.00e+000 -   0  353  379 0
# HD1/HE3 W19
 288   4.747   7.388 0 U         3.864e+002 0.00e+000 -   0  312  379 0
# HA/HE3 W19
 289   8.781   7.070 0 U         -1.097e+002 0.00e+000 -   0  311  378 0
# H/HZ2 W19
 290   9.725   7.070 0 U         9.573e+002 0.00e+000 -   0  352  378 0
# HE1/HZ2 W19
 291   7.070   8.781 0 U         5.071e+001 0.00e+000 -   0  378  311 0
# HZ2/H W19
 292   7.070   9.725 0 U         1.070e+003 0.00e+000 -   0  378  352 0
# HZ2/HE1 W19
 293   7.070   7.070 0 U         5.550e+004 0.00e+000 -   0  378  378 0
# HZ2/HZ2 W19
 294   7.070   2.325 0 U         1.440e+002 0.00e+000 -   0  378  348 0
# HZ2/HB2 W19
 295   7.070   1.875 0 U         -4.517e+001 0.00e+000 -   0  378  358 0
# HZ2/HB3 W19
 296   7.070   6.914 0 U         3.817e+003 0.00e+000 -   0  378  353 0
# HZ2/HD1 W19
 297   7.070   4.747 0 U         4.904e+001 0.00e+000 -   0  378  312 0
# HZ2/HA W19
 298   2.325   7.070 0 U         1.429e+001 0.00e+000 -   0  348  378 0
# HB2/HZ2 W19
 299   1.875   7.070 0 U         -9.482e+001 0.00e+000 -   0  358  378 0
# HB3/HZ2 W19
 300   6.914   7.070 0 U         1.540e+003 0.00e+000 -   0  353  378 0
# HD1/HZ2 W19
 301   4.747   7.070 0 U         2.007e+002 0.00e+000 -   0  312  378 0
# HA/HZ2 W19
 302   8.781   6.914 0 U         -1.099e+002 0.00e+000 -   0  311  353 0
# H/HD1 W19
 303   9.725   6.914 0 U         2.576e+003 0.00e+000 -   0  352  353 0
# HE1/HD1 W19
 304   2.325   6.914 0 U         1.483e+002 0.00e+000 -   0  348  353 0
# HB2/HD1 W19
 305   1.875   6.914 0 U         -4.816e+001 0.00e+000 -   0  358  353 0
# HB3/HD1 W19
 306   6.914   8.781 0 U         7.086e+001 0.00e+000 -   0  353  311 0
# HD1/H W19
 307   6.914   9.725 0 U         1.706e+003 0.00e+000 -   0  353  352 0
# HD1/HE1 W19
 308   6.914   2.325 0 U         1.144e+002 0.00e+000 -   0  353  348 0
# HD1/HB2 W19
 309   6.914   1.875 0 U         -5.970e+000 0.00e+000 -   0  353  358 0
# HD1/HB3 W19
 310   6.914   6.914 0 U         5.854e+004 0.00e+000 -   0  353  353 0
# HD1/HD1 W19
 311   6.914   4.747 0 U         1.228e+002 0.00e+000 -   0  353  312 0
# HD1/HA W19
 312   4.747   6.914 0 U         -1.391e+003 0.00e+000 -   0  312  353 0
# HA/HD1 W19
 313   8.454   8.454 0 U         -7.352e+005 0.00e+000 -   0  368  368 0
# H/H A3
 314   8.454   4.169 0 U         4.037e+003 0.00e+000 -   0  368  235 0
# H A3/HA I2
 315   8.454   1.488 0 U         1.618e+003 0.00e+000 -   0  368  370 0
# H/HB A3
 316   8.454   4.855 0 U         6.073e+002 0.00e+000 -   0  368  369 0
# H/HA A3
 317   4.305   4.305 0 U         2.325e+004 0.00e+000 -   0  173  173 0
# HB/HB T22
 318   4.305   4.434 0 U         3.370e+002 0.00e+000 -   0  173  172 0
# HB/HA T22
 319   4.305   9.384 0 U         3.306e+002 0.00e+000 -   0  173  171 0
# HB/H T22
 320   4.305   1.258 0 U         1.247e+003 0.00e+000 -   0  173  174 0
# HB/HG1 T22
 321   3.494   3.494 0 U         9.148e+004 0.00e+000 -   0  333  333 0
# HB2/HB2 Y5
 322   3.494   8.434 0 U         1.880e+002 0.00e+000 -   0  333  339 0
# HB2 Y5/H D17
 323   3.494   4.819 0 U         -1.042e+001 0.00e+000 -   0  333  332 0
# HB2/HA Y5
 324   3.494   6.988 0 U         -4.000e+001 0.00e+000 -   0  333  367 0
# HB2/HE2 Y5
 325   3.494   7.983 0 U         -2.915e+002 0.00e+000 -   0  333  331 0
# HB2/H Y5
 326   3.494   8.397 0 U         3.511e+002 0.00e+000 -   0  333  345 0
# HB2 Y5/H D9
 327   3.494   7.806 0 U         4.125e+002 0.00e+000 -   0  333  366 0
# HB2/HE1 Y5
 328   3.494   2.345 0 U         -3.149e+003 0.00e+000 -   0  333  334 0
# HB2/HB3 Y5
 329   1.405   1.405 0 U         -5.131e+005 0.00e+000 -   0  324  324 0
# HG1/HG1 I26
 330   1.405   4.389 0 U         4.229e+002 0.00e+000 -   0  324  318 0
# HG1/HA I26
 331   1.405   7.827 0 U         1.698e+002 0.00e+000 -   0  324  317 0
# HG1/H I26
 332   1.405   1.895 0 U         2.417e+003 0.00e+000 -   0  324  323 0
# HG1/HB I26
 333   1.405   0.860 0 U         -1.585e+003 0.00e+000 -   0  324  326 0
# HG1/HD1 I26
 334   1.405   1.039 0 U         4.256e+003 0.00e+000 -   0  324  325 0
# HG1/HG2 I26
 335   4.534   4.534 0 U         9.901e+003 0.00e+000 -   0  284  284 0
# HA/HA Q14
 336   4.534   6.823 0 U         4.096e+002 0.00e+000 -   0  284  362 0
# HA/HE22 Q14
 337   4.534   8.644 0 U         4.796e+002 0.00e+000 -   0  284  283 0
# HA/H Q14
 338   4.534   2.146 0 U         7.412e+001 0.00e+000 -   0  284  288 0
# HA/HB2 Q14
 339   4.534   7.489 0 U         8.417e+002 0.00e+000 -   0  284  361 0
# HA/HE21 Q14
 340   4.534   2.286 0 U         3.044e+002 0.00e+000 -   0  284  287 0
# HA/HG3 Q14
 341   4.534   8.748 0 U         2.617e+001 0.00e+000 -   0  284  176 0
# HA Q14/H C16
 342   4.534   2.862 0 U         4.911e+002 0.00e+000 -   0  284  286 0
# HA/HG2 Q14
 343   4.534   8.047 0 U         -1.047e+003 0.00e+000 -   0  284  180 0
# HA Q14/H C15
 344   4.534   9.606 0 U         2.069e+002 0.00e+000 -   0  284  301 0
# HA Q14/H N13
 345   4.534   1.907 0 U         6.193e+001 0.00e+000 -   0  284  285 0
# HA/HB3 Q14
 346   3.585   3.585 0 U         1.382e+005 0.00e+000 -   0  274  274 0
# HD3/HD3 P24
 347   3.585   3.849 0 U         2.104e+004 0.00e+000 -   0  274  273 0
# HD3/HD2 P24
 348   3.585   2.243 0 U         2.965e+003 0.00e+000 -   0  274  267 0
# HD3 P24/HB3 P23
 349   3.585   1.817 0 U         1.222e+003 0.00e+000 -   0  274  277 0
# HD3/HG P24
 350   3.585   3.976 0 U         4.064e+002 0.00e+000 -   0  274  272 0
# HD3/HA P24
 351   3.585   2.587 0 U         1.665e+003 0.00e+000 -   0  274  266 0
# HD3 P24/HB2 P23
 352   3.585   2.035 0 U         3.964e+003 0.00e+000 -   0  274  276 0
# HD3/HB3 P24
 353   3.585   2.335 0 U         5.421e+002 0.00e+000 -   0  274  275 0
# HD3/HB2 P24
 354   3.585   5.142 0 U         2.829e+003 0.00e+000 -   0  274  263 0
# HD3 P24/HA P23
 355   4.662   4.662 0 U         6.252e+002 0.00e+000 -   0  233  233 0
# HA/HA I12
 356   4.662   8.155 0 U         9.850e+002 0.00e+000 -   0  233  232 0
# HA/H I12
 357   4.662   1.731 0 U         -3.876e+002 0.00e+000 -   0  233  299 0
# HA/HG1 I12
 358   4.662   0.881 0 U         2.045e+003 0.00e+000 -   0  233  298 0
# HA/HD1 I12
 359   4.662   1.866 0 U         2.864e+002 0.00e+000 -   0  233  297 0
# HA/HB I12
 360   4.662   9.118 0 U         3.011e+001 0.00e+000 -   0  233  234 0
# HA I12/H I2
 361   4.330   4.330 0 U         7.307e+003 0.00e+000 -   0  218  218 0
# HA2/HA2 G10
 362   4.330   8.346 0 U         3.174e+001 0.00e+000 -   0  218  188 0
# HA2 G10/H I11
 363   4.330   3.942 0 U         3.760e+002 0.00e+000 -   0  218  219 0
# HA2/HA3 G10
 364   4.330   8.559 0 U         4.128e+001 0.00e+000 -   0  218  109 0
# HA2/H G10
 365   8.346   4.330 0 U         8.790e+001 0.00e+000 -   0  188  218 0
# H I11/HA2 G10
 366   8.346   8.346 0 U         -2.020e+006 0.00e+000 -   0  188  188 0
# H/H I11
 367   8.346   4.176 0 U         2.328e+003 0.00e+000 -   0  188  207 0
# H/HA I11
 368   8.346   1.148 0 U         1.842e+003 0.00e+000 -   0  188  205 0
# H/HG2 I11
 369   8.346   1.632 0 U         6.949e+003 0.00e+000 -   0  188  204 0
# H/HG1 I11
 370   8.346   3.942 0 U         1.163e+003 0.00e+000 -   0  188  219 0
# H I11/HA3 G10
 371   8.346   0.897 0 U         1.489e+003 0.00e+000 -   0  188  190 0
# H/HD1 I11
 372   8.346   1.865 0 U         2.356e+003 0.00e+000 -   0  188  203 0
# H/HB I11
 373   2.797   2.797 0 U         7.903e+004 0.00e+000 -   0  347  347 0
# HB/HB D9
 374   2.797   3.941 0 U         -3.145e+001 0.00e+000 -   0  347  346 0
# HB/HA D9
 375   2.797   8.397 0 U         8.708e+002 0.00e+000 -   0  347  345 0
# HB/H D9
 376   5.022   5.022 0 U         3.021e+003 0.00e+000 -   0  340  340 0
# HA/HA D17
 377   5.022   8.434 0 U         9.764e+001 0.00e+000 -   0  340  339 0
# HA/H D17
 378   5.022   3.504 0 U         -1.015e+002 0.00e+000 -   0  340  372 0
# HA D17/HA P18
 379   5.022   2.811 0 U         5.417e+002 0.00e+000 -   0  340  341 0
# HA/HB D17
 380   8.781   8.781 0 U         9.345e+004 0.00e+000 -   0  311  311 0
# H/H W19
 381   8.781   9.725 0 U         -8.183e+001 0.00e+000 -   0  311  352 0
# H/HE1 W19
 382   8.781   2.325 0 U         1.516e+002 0.00e+000 -   0  311  348 0
# H/HB2 W19
 383   8.781   1.875 0 U         2.295e+003 0.00e+000 -   0  311  358 0
# H/HB3 W19
 384   8.781   2.340 0 U         3.659e+002 0.00e+000 -   0  311  374 0
# H W19/HD P18
 385   8.781   4.747 0 U         2.212e+003 0.00e+000 -   0  311  312 0
# H/HA W19
 386   4.994   4.994 0 U         1.342e+003 0.00e+000 -   0  246  246 0
# HA/HA C8
 387   4.994   8.455 0 U         -3.799e+002 0.00e+000 -   0  246  245 0
# HA/H C8
 388   4.994   8.397 0 U         1.406e+003 0.00e+000 -   0  246  345 0
# HA C8/H D9
 389   4.994   2.861 0 U         -2.890e+002 0.00e+000 -   0  246  248 0
# HA/HB3 C8
 390   4.994   3.242 0 U         7.568e+002 0.00e+000 -   0  246  247 0
# HA/HB2 C8
 391   2.750   2.750 0 U         3.074e+006 0.00e+000 -   0  198  198 0
# HE3/HE3 K7
 392   2.750   1.572 0 U         1.315e+003 0.00e+000 -   0  198  202 0
# HE3/HD K7
 393   2.750   2.948 0 U         7.111e+003 0.00e+000 -   0  198  197 0
# HE3/HE2 K7
 394   2.750   1.725 0 U         -4.140e+001 0.00e+000 -   0  198  201 0
# HE3/HB2 K7
 395   2.750   8.343 0 U         1.399e+002 0.00e+000 -   0  198  191 0
# HE3/H K7
 396   2.750   7.473 0 U         6.367e+001 0.00e+000 -   0  198  212 0
# HE3/HZ K7
 397   2.750   1.250 0 U         1.958e+002 0.00e+000 -   0  198  200 0
# HE3/HG3 K7
 398   2.750   4.259 0 U         1.915e+002 0.00e+000 -   0  198  229 0
# HE3/HA K7
 399   2.750   9.606 0 U         5.320e+002 0.00e+000 -   0  198  301 0
# HE3 K7/H N13
 400   2.750   1.406 0 U         1.836e+002 0.00e+000 -   0  198  199 0
# HE3/HG2 K7
 401   7.373   7.373 0 U         3.729e+005 0.00e+000 -   0  357  357 0
# HZ/HZ F28
 402   7.373   2.604 0 U         1.074e+003 0.00e+000 -   0  357   90 0
# HZ/HB3 F28
 403   7.373   7.304 0 U         5.402e+004 0.00e+000 -   0  357  356 0
# HZ/HD F28
 404   7.373   5.478 0 U         3.741e+002 0.00e+000 -   0  357   79 0
# HZ/HA F28
 405   7.373   8.222 0 U         1.805e+002 0.00e+000 -   0  357   78 0
# HZ/H F28
 406   7.373   2.725 0 U         1.026e+003 0.00e+000 -   0  357   89 0
# HZ/HB2 F28
 407   4.389   1.405 0 U         7.554e+001 0.00e+000 -   0  318  324 0
# HA/HG1 I26
 408   4.389   4.389 0 U         1.431e+004 0.00e+000 -   0  318  318 0
# HA/HA I26
 409   4.389   7.827 0 U         3.884e+000 0.00e+000 -   0  318  317 0
# HA/H I26
 410   4.389   1.895 0 U         4.963e+001 0.00e+000 -   0  318  323 0
# HA/HB I26
 411   4.389   0.860 0 U         1.323e+002 0.00e+000 -   0  318  326 0
# HA/HD1 I26
 412   4.389   7.701 0 U         4.920e+002 0.00e+000 -   0  318  319 0
# HA I26/H G27
 413   4.389   1.039 0 U         -6.180e+000 0.00e+000 -   0  318  325 0
# HA/HG2 I26
 414   6.823   4.534 0 U         -1.870e+000 0.00e+000 -   0  362  284 0
# HE22/HA Q14
 415   6.823   6.823 0 U         3.891e+005 0.00e+000 -   0  362  362 0
# HE22/HE22 Q14
 416   6.823   8.644 0 U         -4.679e+001 0.00e+000 -   0  362  283 0
# HE22/H Q14
 417   6.823   2.146 0 U         2.827e+001 0.00e+000 -   0  362  288 0
# HE22/HB2 Q14
 418   6.823   7.489 0 U         1.772e+004 0.00e+000 -   0  362  361 0
# HE22/HE21 Q14
 419   6.823   2.286 0 U         2.716e+002 0.00e+000 -   0  362  287 0
# HE22/HG3 Q14
 420   6.823   2.862 0 U         -5.084e+001 0.00e+000 -   0  362  286 0
# HE22/HG2 Q14
 421   6.823   1.907 0 U         7.247e+001 0.00e+000 -   0  362  285 0
# HE22/HB3 Q14
 422   1.441   1.441 0 U         -5.995e+006 0.00e+000 -   0  328  328 0
# HG1/HG1 I25
 423   1.441   1.810 0 U         6.434e+002 0.00e+000 -   0  328  327 0
# HG1/HB I25
 424   1.441   5.364 0 U         9.732e+001 0.00e+000 -   0  328  316 0
# HG1/HA I25
 425   1.441   7.983 0 U         7.509e+002 0.00e+000 -   0  328  315 0
# HG1/H I25
 426   1.441   0.877 0 U         1.530e+004 0.00e+000 -   0  328  330 0
# HG1/HD1 I25
 427   1.441   1.073 0 U         -1.862e+004 0.00e+000 -   0  328  329 0
# HG1/HG2 I25
 428   8.644   4.534 0 U         1.152e+003 0.00e+000 -   0  283  284 0
# H/HA Q14
 429   8.644   6.823 0 U         4.431e+001 0.00e+000 -   0  283  362 0
# H/HE22 Q14
 430   8.644   8.644 0 U         1.105e+006 0.00e+000 -   0  283  283 0
# H/H Q14
 431   8.644   2.146 0 U         4.996e+002 0.00e+000 -   0  283  288 0
# H/HB2 Q14
 432   8.644   7.489 0 U         -1.440e+000 0.00e+000 -   0  283  361 0
# H/HE21 Q14
 433   8.644   2.286 0 U         9.822e+002 0.00e+000 -   0  283  287 0
# H/HG3 Q14
 434   8.644   2.862 0 U         3.939e+002 0.00e+000 -   0  283  286 0
# H/HG2 Q14
 435   8.644   9.606 0 U         4.553e+002 0.00e+000 -   0  283  301 0
# H Q14/H N13
 436   8.644   1.907 0 U         1.644e+003 0.00e+000 -   0  283  285 0
# H/HB3 Q14
 437   2.021   2.021 0 U         6.924e+004 0.00e+000 -   0  268  268 0
# HG/HG P23
 438   2.021   2.243 0 U         4.271e+003 0.00e+000 -   0  268  267 0
# HG/HB3 P23
 439   2.021   2.587 0 U         2.281e+003 0.00e+000 -   0  268  266 0
# HG/HB2 P23
 440   2.021   3.662 0 U         3.917e+003 0.00e+000 -   0  268  270 0
# HG/HD3 P23
 441   2.021   5.142 0 U         9.835e+002 0.00e+000 -   0  268  263 0
# HG/HA P23
 442   2.021   3.970 0 U         1.088e+003 0.00e+000 -   0  268  269 0
# HG/HD2 P23
 443   8.155   4.662 0 U         -1.079e+002 0.00e+000 -   0  232  233 0
# H/HA I12
 444   8.155   8.155 0 U         4.617e+004 0.00e+000 -   0  232  232 0
# H/H I12
 445   8.155   1.731 0 U         1.266e+002 0.00e+000 -   0  232  299 0
# H/HG1 I12
 446   8.155   0.881 0 U         3.740e+002 0.00e+000 -   0  232  298 0
# H/HD1 I12
 447   8.155   1.866 0 U         1.269e+003 0.00e+000 -   0  232  297 0
# H/HB I12
 448   2.641   2.641 0 U         4.897e+004 0.00e+000 -   0  179  179 0
# HB3/HB3 C16
 449   2.641   4.877 0 U         3.286e+002 0.00e+000 -   0  179  278 0
# HB3/HA C16
 450   2.641   2.752 0 U         2.023e+004 0.00e+000 -   0  179  178 0
# HB3/HB2 C16
 451   2.641   8.748 0 U         5.283e+002 0.00e+000 -   0  179  176 0
# HB3/H C16
 452   2.641   7.806 0 U         6.831e+002 0.00e+000 -   0  179  366 0
# HB3 C16/HE1 Y5
 453   8.434   3.494 0 U         6.503e+002 0.00e+000 -   0  339  333 0
# H D17/HB2 Y5
 454   8.434   5.022 0 U         4.072e+003 0.00e+000 -   0  339  340 0
# H/HA D17
 455   8.434   8.434 0 U         1.342e+005 0.00e+000 -   0  339  339 0
# H/H D17
 456   8.434   4.877 0 U         1.129e+003 0.00e+000 -   0  339  278 0
# H D17/HA C16
 457   8.434   2.811 0 U         3.158e+003 0.00e+000 -   0  339  341 0
# H/HB D17
 458   1.731   4.662 0 U         -8.228e+001 0.00e+000 -   0  299  233 0
# HG1/HA I12
 459   1.731   8.155 0 U         -2.639e+001 0.00e+000 -   0  299  232 0
# HG1/H I12
 460   1.731   1.731 0 U         5.794e+005 0.00e+000 -   0  299  299 0
# HG1/HG1 I12
 461   1.731   0.881 0 U         -7.186e+002 0.00e+000 -   0  299  298 0
# HG1/HD1 I12
 462   1.731   1.866 0 U         6.748e+003 0.00e+000 -   0  299  297 0
# HG1/HB I12
 463   2.146   4.534 0 U         6.808e+002 0.00e+000 -   0  288  284 0
# HB2/HA Q14
 464   2.146   6.823 0 U         -7.063e+001 0.00e+000 -   0  288  362 0
# HB2/HE22 Q14
 465   2.146   8.644 0 U         2.913e+002 0.00e+000 -   0  288  283 0
# HB2/H Q14
 466   2.146   2.146 0 U         4.035e+004 0.00e+000 -   0  288  288 0
# HB2/HB2 Q14
 467   2.146   7.489 0 U         6.147e+001 0.00e+000 -   0  288  361 0
# HB2/HE21 Q14
 468   2.146   2.286 0 U         6.478e+003 0.00e+000 -   0  288  287 0
# HB2/HG3 Q14
 469   2.146   2.862 0 U         7.478e+002 0.00e+000 -   0  288  286 0
# HB2/HG2 Q14
 470   2.146   1.907 0 U         3.882e+003 0.00e+000 -   0  288  285 0
# HB2/HB3 Q14
 471   4.877   2.641 0 U         -3.929e+003 0.00e+000 -   0  278  179 0
# HA/HB3 C16
 472   4.877   8.434 0 U         5.290e+002 0.00e+000 -   0  278  339 0
# HA C16/H D17
 473   4.877   4.877 0 U         -2.352e+003 0.00e+000 -   0  278  278 0
# HA/HA C16
 474   4.877   2.752 0 U         -1.561e+003 0.00e+000 -   0  278  178 0
# HA/HB2 C16
 475   4.877   8.748 0 U         -1.244e+003 0.00e+000 -   0  278  176 0
# HA/H C16
 476   8.455   4.994 0 U         1.157e+003 0.00e+000 -   0  245  246 0
# H/HA C8
 477   8.455   8.455 0 U         7.696e+005 0.00e+000 -   0  245  245 0
# H/H C8
 478   8.455   5.478 0 U         1.485e+003 0.00e+000 -   0  245   79 0
# H C8/HA F28
 479   8.455   2.861 0 U         1.317e+003 0.00e+000 -   0  245  248 0
# H/HB3 C8
 480   8.455   4.259 0 U         8.199e+003 0.00e+000 -   0  245  229 0
# H C8/HA K7
 481   8.455   7.701 0 U         5.295e+002 0.00e+000 -   0  245  319 0
# H C8/H G27
 482   8.455   3.242 0 U         9.442e+002 0.00e+000 -   0  245  247 0
# H/HB2 C8
 483   4.557   4.557 0 U         4.654e+003 0.00e+000 -   0  241  241 0
# HA/HA L30
 484   4.557   8.713 0 U         2.346e+002 0.00e+000 -   0  241  240 0
# HA/H L30
 485   4.557   1.030 0 U         7.263e+002 0.00e+000 -   0  241  244 0
# HA/HD L30
 486   4.557   1.626 0 U         4.516e+002 0.00e+000 -   0  241  243 0
# HA/HG L30
 487   4.557   1.824 0 U         2.703e+002 0.00e+000 -   0  241  242 0
# HA/HB L30
 488   2.556   2.556 0 U         4.019e+005 0.00e+000 -   0  223  223 0
# HB3/HB3 C21
 489   2.556   2.746 0 U         2.219e+003 0.00e+000 -   0  223  222 0
# HB3/HB2 C21
 490   2.556   8.676 0 U         5.869e+003 0.00e+000 -   0  223  220 0
# HB3/H C21
 491   2.556   5.534 0 U         5.653e+001 0.00e+000 -   0  223  338 0
# HB3/HA C21
 492   9.725   8.781 0 U         -1.200e+002 0.00e+000 -   0  352  311 0
# HE1/H W19
 493   9.725   9.725 0 U         4.591e+004 0.00e+000 -   0  352  352 0
# HE1/HE1 W19
 494   9.725   2.325 0 U         2.991e+002 0.00e+000 -   0  352  348 0
# HE1/HB2 W19
 495   9.725   1.875 0 U         -4.586e+001 0.00e+000 -   0  352  358 0
# HE1/HB3 W19
 496   9.725   4.747 0 U         -3.472e+001 0.00e+000 -   0  352  312 0
# HE1/HA W19
 497   7.827   1.405 0 U         3.558e+002 0.00e+000 -   0  317  324 0
# H/HG1 I26
 498   7.827   4.389 0 U         8.080e+002 0.00e+000 -   0  317  318 0
# H/HA I26
 499   7.827   7.827 0 U         4.179e+004 0.00e+000 -   0  317  317 0
# H/H I26
 500   7.827   1.895 0 U         4.978e+002 0.00e+000 -   0  317  323 0
# H/HB I26
 501   7.827   0.860 0 U         1.585e+003 0.00e+000 -   0  317  326 0
# H/HD1 I26
 502   7.827   1.039 0 U         5.254e+002 0.00e+000 -   0  317  325 0
# H/HG2 I26
 503   7.827   2.335 0 U         1.286e+003 0.00e+000 -   0  317  275 0
# H I26/HB2 P24
 504   0.809   0.809 0 U         4.002e+005 0.00e+000 -   0  250  250 0
# HD1/HD1 I2
 505   0.809   1.872 0 U         1.509e+003 0.00e+000 -   0  250  249 0
# HD1/HB I2
 506   0.809   4.169 0 U         2.086e+003 0.00e+000 -   0  250  235 0
# HD1/HA I2
 507   0.809   1.276 0 U         3.216e+003 0.00e+000 -   0  250  253 0
# HD1/HG13 I2
 508   0.809   9.118 0 U         4.126e+002 0.00e+000 -   0  250  234 0
# HD1/H I2
 509   0.809   1.368 0 U         1.580e+003 0.00e+000 -   0  250  252 0
# HD1/HG12 I2
 510   0.809   1.059 0 U         6.156e+003 0.00e+000 -   0  250  251 0
# HD1/HG2 I2
 511   1.572   2.750 0 U         1.496e+003 0.00e+000 -   0  202  198 0
# HD/HE3 K7
 512   1.572   1.572 0 U         -1.660e+005 0.00e+000 -   0  202  202 0
# HD/HD K7
 513   1.572   2.948 0 U         3.593e+002 0.00e+000 -   0  202  197 0
# HD/HE2 K7
 514   1.572   1.725 0 U         1.745e+002 0.00e+000 -   0  202  201 0
# HD/HB2 K7
 515   1.572   8.343 0 U         3.307e+002 0.00e+000 -   0  202  191 0
# HD/H K7
 516   1.572   7.473 0 U         5.474e+000 0.00e+000 -   0  202  212 0
# HD/HZ K7
 517   1.572   1.250 0 U         5.260e+003 0.00e+000 -   0  202  200 0
# HD/HG3 K7
 518   1.572   4.259 0 U         8.818e+002 0.00e+000 -   0  202  229 0
# HD/HA K7
 519   1.572   1.406 0 U         1.032e+004 0.00e+000 -   0  202  199 0
# HD/HG2 K7
 520   4.434   4.305 0 U         5.465e+002 0.00e+000 -   0  172  173 0
# HA/HB T22
 521   4.434   4.434 0 U         1.362e+004 0.00e+000 -   0  172  172 0
# HA/HA T22
 522   4.434   8.713 0 U         9.626e+001 0.00e+000 -   0  172  240 0
# HA T22/H L30
 523   4.434   9.384 0 U         4.958e+002 0.00e+000 -   0  172  171 0
# HA/H T22
 524   4.434   1.258 0 U         3.866e+001 0.00e+000 -   0  172  174 0
# HA/HG1 T22
 525   4.434   5.142 0 U         1.964e+002 0.00e+000 -   0  172  263 0
# HA T22/HA P23
 526   0.887   0.887 0 U         -1.720e+010 0.00e+000 -   0  105  105 0
# HD1/HD1 L20
 527   0.887   4.695 0 U         -1.216e+002 0.00e+000 -   0  105   51 0
# HD1/HA L20
 528   0.887   9.429 0 U         -8.252e+001 0.00e+000 -   0  105    9 0
# HD1/H L20
 529   0.887   1.576 0 U         -3.637e+002 0.00e+000 -   0  105  103 0
# HD1/HB L20
 530   0.887   1.453 0 U         3.403e+003 0.00e+000 -   0  105  261 0
# HD1/HG L20
 531   0.886   0.886 0 U         2.125e+010 0.00e+000 -   0  377  377 0
# HG3/HG3 P18
 532   0.886   3.504 0 U         1.832e+003 0.00e+000 -   0  377  372 0
# HG3/HA P18
 533   0.886   1.062 0 U         -8.928e+002 0.00e+000 -   0  377  376 0
# HG3/HG2 P18
 534   0.886   1.443 0 U         9.542e+003 0.00e+000 -   0  377  375 0
# HG3/HB P18
 535   0.886   2.340 0 U         1.784e+003 0.00e+000 -   0  377  374 0
# HG3/HD P18
 536   4.819   3.494 0 U         1.554e+003 0.00e+000 -   0  332  333 0
# HA/HB2 Y5
 537   4.819   4.819 0 U         -2.487e+005 0.00e+000 -   0  332  332 0
# HA/HA Y5
 538   4.819   6.988 0 U         -1.682e+004 0.00e+000 -   0  332  367 0
# HA/HE2 Y5
 539   4.819   7.983 0 U         4.171e+003 0.00e+000 -   0  332  331 0
# HA/H Y5
 540   4.819   7.806 0 U         3.940e+003 0.00e+000 -   0  332  366 0
# HA/HE1 Y5
 541   4.819   2.345 0 U         -4.850e+004 0.00e+000 -   0  332  334 0
# HA/HB3 Y5
 542   4.819   8.646 0 U         -2.073e+004 0.00e+000 -   0  332  279 0
# HA Y5/H G6
 543   1.895   1.405 0 U         3.297e+003 0.00e+000 -   0  323  324 0
# HB/HG1 I26
 544   1.895   4.389 0 U         1.844e+003 0.00e+000 -   0  323  318 0
# HB/HA I26
 545   1.895   7.827 0 U         6.101e+001 0.00e+000 -   0  323  317 0
# HB/H I26
 546   1.895   1.895 0 U         -1.432e+006 0.00e+000 -   0  323  323 0
# HB/HB I26
 547   1.895   0.860 0 U         1.123e+004 0.00e+000 -   0  323  326 0
# HB/HD1 I26
 548   1.895   1.039 0 U         4.328e+003 0.00e+000 -   0  323  325 0
# HB/HG2 I26
 549   3.849   3.585 0 U         1.602e+004 0.00e+000 -   0  273  274 0
# HD2/HD3 P24
 550   3.849   3.849 0 U         7.358e+004 0.00e+000 -   0  273  273 0
# HD2/HD2 P24
 551   3.849   2.243 0 U         8.395e+002 0.00e+000 -   0  273  267 0
# HD2 P24/HB3 P23
 552   3.849   1.817 0 U         4.386e+002 0.00e+000 -   0  273  277 0
# HD2/HG P24
 553   3.849   3.976 0 U         1.886e+003 0.00e+000 -   0  273  272 0
# HD2/HA P24
 554   3.849   2.587 0 U         7.353e+002 0.00e+000 -   0  273  266 0
# HD2 P24/HB2 P23
 555   3.849   2.035 0 U         3.733e+003 0.00e+000 -   0  273  276 0
# HD2/HB3 P24
 556   3.849   2.335 0 U         5.349e+002 0.00e+000 -   0  273  275 0
# HD2/HB2 P24
 557   3.849   5.142 0 U         5.288e+003 0.00e+000 -   0  273  263 0
# HD2 P24/HA P23
 558   8.713   4.557 0 U         1.548e+003 0.00e+000 -   0  240  241 0
# H/HA L30
 559   8.713   4.434 0 U         4.869e+002 0.00e+000 -   0  240  172 0
# H L30/HA T22
 560   8.713   8.713 0 U         4.137e+004 0.00e+000 -   0  240  240 0
# H/H L30
 561   8.713   9.384 0 U         7.858e+002 0.00e+000 -   0  240  171 0
# H L30/H T22
 562   8.713   1.030 0 U         3.204e+002 0.00e+000 -   0  240  244 0
# H/HD L30
 563   8.713   4.623 0 U         1.030e+003 0.00e+000 -   0  240  290 0
# H L30/HA H4
 564   8.713   1.626 0 U         6.089e+002 0.00e+000 -   0  240  243 0
# H/HG L30
 565   8.713   4.799 0 U         1.728e+002 0.00e+000 -   0  240  185 0
# H L30/HA C29
 566   8.713   1.824 0 U         9.203e+002 0.00e+000 -   0  240  242 0
# H/HB L30
 567   2.984   2.984 0 U         9.732e+004 0.00e+000 -   0  183  183 0
# HB3/HB3 C15
 568   2.984   3.203 0 U         1.370e+004 0.00e+000 -   0  183  182 0
# HB3/HB2 C15
 569   2.984   4.111 0 U         -8.105e+001 0.00e+000 -   0  183  181 0
# HB3/HA C15
 570   2.984   9.429 0 U         6.098e+002 0.00e+000 -   0  183    9 0
# HB3 C15/H L20
 571   2.984   8.047 0 U         4.479e+002 0.00e+000 -   0  183  180 0
# HB3/H C15
 572   3.941   2.797 0 U         1.676e+002 0.00e+000 -   0  346  347 0
# HA/HB D9
 573   3.941   3.941 0 U         1.706e+006 0.00e+000 -   0  346  346 0
# HA/HA D9
 574   3.941   7.983 0 U         4.687e+003 0.00e+000 -   0  346  331 0
# HA D9/H Y5
 575   3.941   8.397 0 U         1.487e+003 0.00e+000 -   0  346  345 0
# HA/H D9
 576   3.048   3.048 0 U         1.173e+005 0.00e+000 -   0  304  304 0
# HB3/HB3 N13
 577   3.048   3.293 0 U         2.396e+004 0.00e+000 -   0  304  303 0
# HB3/HB2 N13
 578   3.048   6.260 0 U         4.077e+002 0.00e+000 -   0  304  310 0
# HB3/HD22 N13
 579   3.048   3.725 0 U         3.675e+003 0.00e+000 -   0  304  302 0
# HB3/HA N13
 580   3.048   9.606 0 U         1.345e+003 0.00e+000 -   0  304  301 0
# HB3/H N13
 581   3.048   6.624 0 U         2.506e+003 0.00e+000 -   0  304  307 0
# HB3/HD21 N13
 582   2.609   2.609 0 U         2.291e+005 0.00e+000 -   0  292  292 0
# HB3/HB3 H4
 583   2.609   3.409 0 U         7.069e+003 0.00e+000 -   0  292  291 0
# HB3/HB2 H4
 584   2.609   4.623 0 U         2.871e+002 0.00e+000 -   0  292  290 0
# HB3/HA H4
 585   2.609  10.081 0 U         6.920e+002 0.00e+000 -   0  292  289 0
# HB3/H H4
 586   2.948   2.750 0 U         2.758e+003 0.00e+000 -   0  197  198 0
# HE2/HE3 K7
 587   2.948   1.572 0 U         4.081e+003 0.00e+000 -   0  197  202 0
# HE2/HD K7
 588   2.948   2.948 0 U         2.195e+005 0.00e+000 -   0  197  197 0
# HE2/HE2 K7
 589   2.948   1.725 0 U         -2.628e+001 0.00e+000 -   0  197  201 0
# HE2/HB2 K7
 590   2.948   8.343 0 U         -8.731e+000 0.00e+000 -   0  197  191 0
# HE2/H K7
 591   2.948   7.473 0 U         1.788e+002 0.00e+000 -   0  197  212 0
# HE2/HZ K7
 592   2.948   1.250 0 U         6.422e+002 0.00e+000 -   0  197  200 0
# HE2/HG3 K7
 593   2.948   4.259 0 U         -6.476e+001 0.00e+000 -   0  197  229 0
# HE2/HA K7
 594   2.948   9.606 0 U         3.183e+002 0.00e+000 -   0  197  301 0
# HE2 K7/H N13
 595   2.948  10.081 0 U         2.859e+002 0.00e+000 -   0  197  289 0
# HE2 K7/H H4
 596   2.948   1.406 0 U         3.338e+002 0.00e+000 -   0  197  199 0
# HE2/HG2 K7
 597   2.604   7.373 0 U         2.007e+002 0.00e+000 -   0   90  357 0
# HB3/HZ F28
 598   2.604   2.604 0 U         -1.759e+005 0.00e+000 -   0   90   90 0
# HB3/HB3 F28
 599   2.604   7.304 0 U         3.116e+003 0.00e+000 -   0   90  356 0
# HB3/HD F28
 600   2.604   5.478 0 U         1.045e+003 0.00e+000 -   0   90   79 0
# HB3/HA F28
 601   2.604   8.222 0 U         7.305e+002 0.00e+000 -   0   90   78 0
# HB3/H F28
 602   2.604   2.725 0 U         2.363e+004 0.00e+000 -   0   90   89 0
# HB3/HB2 F28
 603   2.604   8.885 0 U         1.899e+002 0.00e+000 -   0   90  184 0
# HB3 F28/H C29
 604   7.304   7.373 0 U         2.599e+004 0.00e+000 -   0  356  357 0
# HD/HZ F28
 605   7.304   2.604 0 U         7.751e+003 0.00e+000 -   0  356   90 0
# HD/HB3 F28
 606   7.304   7.304 0 U         4.712e+005 0.00e+000 -   0  356  356 0
# HD/HD F28
 607   7.304   5.478 0 U         2.625e+003 0.00e+000 -   0  356   79 0
# HD/HA F28
 608   7.304   8.343 0 U         1.163e+003 0.00e+000 -   0  356  191 0
# HD F28/H K7
 609   7.304   8.222 0 U         8.043e+002 0.00e+000 -   0  356   78 0
# HD/H F28
 610   7.304   2.725 0 U         8.093e+003 0.00e+000 -   0  356   89 0
# HD/HB2 F28
 611   4.176   8.346 0 U         1.200e+003 0.00e+000 -   0  207  188 0
# HA/H I11
 612   4.176   4.176 0 U         1.886e+004 0.00e+000 -   0  207  207 0
# HA/HA I11
 613   4.176   1.148 0 U         7.841e+001 0.00e+000 -   0  207  205 0
# HA/HG2 I11
 614   4.176   1.632 0 U         1.738e+001 0.00e+000 -   0  207  204 0
# HA/HG1 I11
 615   4.176   0.897 0 U         4.955e+002 0.00e+000 -   0  207  190 0
# HA/HD1 I11
 616   4.176   1.865 0 U         6.836e+002 0.00e+000 -   0  207  203 0
# HA/HB I11
 617   9.384   4.305 0 U         4.638e+003 0.00e+000 -   0  171  173 0
# H/HB T22
 618   9.384   4.434 0 U         9.464e+003 0.00e+000 -   0  171  172 0
# H/HA T22
 619   9.384   8.713 0 U         8.074e+002 0.00e+000 -   0  171  240 0
# H T22/H L30
 620   9.384   9.384 0 U         5.944e+004 0.00e+000 -   0  171  171 0
# H/H T22
 621   9.384   1.030 0 U         5.302e+002 0.00e+000 -   0  171  244 0
# H T22/HD L30
 622   9.384   8.222 0 U         1.748e+003 0.00e+000 -   0  171   78 0
# H T22/H F28
 623   9.384   1.258 0 U         1.039e+003 0.00e+000 -   0  171  174 0
# H/HG1 T22
 624   6.988   3.494 0 U         -4.146e+001 0.00e+000 -   0  367  333 0
# HE2/HB2 Y5
 625   6.988   4.819 0 U         -7.800e+000 0.00e+000 -   0  367  332 0
# HE2/HA Y5
 626   6.988   6.988 0 U         7.694e+004 0.00e+000 -   0  367  367 0
# HE2/HE2 Y5
 627   6.988   7.983 0 U         1.039e+002 0.00e+000 -   0  367  331 0
# HE2/H Y5
 628   6.988   7.806 0 U         3.441e+004 0.00e+000 -   0  367  366 0
# HE2/HE1 Y5
 629   6.988   2.345 0 U         -4.328e+001 0.00e+000 -   0  367  334 0
# HE2/HB3 Y5
 630   7.489   4.534 0 U         4.470e+001 0.00e+000 -   0  361  284 0
# HE21/HA Q14
 631   7.489   6.823 0 U         4.762e+004 0.00e+000 -   0  361  362 0
# HE21/HE22 Q14
 632   7.489   8.644 0 U         4.427e+001 0.00e+000 -   0  361  283 0
# HE21/H Q14
 633   7.489   2.146 0 U         2.145e+002 0.00e+000 -   0  361  288 0
# HE21/HB2 Q14
 634   7.489   7.489 0 U         1.400e+005 0.00e+000 -   0  361  361 0
# HE21/HE21 Q14
 635   7.489   2.286 0 U         1.742e+003 0.00e+000 -   0  361  287 0
# HE21/HG3 Q14
 636   7.489   2.862 0 U         -5.917e+001 0.00e+000 -   0  361  286 0
# HE21/HG2 Q14
 637   7.489   1.907 0 U         2.739e+002 0.00e+000 -   0  361  285 0
# HE21/HB3 Q14
 638   7.983   3.494 0 U         1.059e+004 0.00e+000 -   0  331  333 0
# H/HB2 Y5
 639   7.983   4.819 0 U         6.690e+000 0.00e+000 -   0  331  332 0
# H/HA Y5
 640   7.983   3.941 0 U         -2.991e+006 0.00e+000 -   0  331  346 0
# H Y5/HA D9
 641   7.983   6.988 0 U         1.933e+002 0.00e+000 -   0  331  367 0
# H/HE2 Y5
 642   7.983   7.983 0 U         3.368e+004 0.00e+000 -   0  331  331 0
# H/H Y5
 643   7.983   7.806 0 U         8.602e+002 0.00e+000 -   0  331  366 0
# H/HE1 Y5
 644   7.983   2.345 0 U         8.639e+002 0.00e+000 -   0  331  334 0
# H/HB3 Y5
 645   1.810   1.441 0 U         9.601e+001 0.00e+000 -   0  327  328 0
# HB/HG1 I25
 646   1.810   1.810 0 U         3.693e+005 0.00e+000 -   0  327  327 0
# HB/HB I25
 647   1.810   5.364 0 U         -3.615e+001 0.00e+000 -   0  327  316 0
# HB/HA I25
 648   1.810   7.983 0 U         4.719e+002 0.00e+000 -   0  327  315 0
# HB/H I25
 649   1.810   0.877 0 U         -1.147e+002 0.00e+000 -   0  327  330 0
# HB/HD1 I25
 650   1.810   1.073 0 U         -2.306e+003 0.00e+000 -   0  327  329 0
# HB/HG2 I25
 651   2.243   3.585 0 U         3.157e+003 0.00e+000 -   0  267  274 0
# HB3 P23/HD3 P24
 652   2.243   2.021 0 U         3.934e+003 0.00e+000 -   0  267  268 0
# HB3/HG P23
 653   2.243   3.849 0 U         1.173e+003 0.00e+000 -   0  267  273 0
# HB3 P23/HD2 P24
 654   2.243   2.243 0 U         1.119e+005 0.00e+000 -   0  267  267 0
# HB3/HB3 P23
 655   2.243   2.587 0 U         1.535e+004 0.00e+000 -   0  267  266 0
# HB3/HB2 P23
 656   2.243   3.662 0 U         3.365e+002 0.00e+000 -   0  267  270 0
# HB3/HD3 P23
 657   2.243   5.142 0 U         2.023e+003 0.00e+000 -   0  267  263 0
# HB3/HA P23
 658   2.243   3.970 0 U         5.894e+002 0.00e+000 -   0  267  269 0
# HB3/HD2 P23
 659   2.752   2.641 0 U         2.526e+004 0.00e+000 -   0  178  179 0
# HB2/HB3 C16
 660   2.752   4.877 0 U         6.268e+002 0.00e+000 -   0  178  278 0
# HB2/HA C16
 661   2.752   2.752 0 U         -1.337e+006 0.00e+000 -   0  178  178 0
# HB2/HB2 C16
 662   2.752   8.748 0 U         1.207e+003 0.00e+000 -   0  178  176 0
# HB2/H C16
 663   2.752   7.806 0 U         9.183e+002 0.00e+000 -   0  178  366 0
# HB2 C16/HE1 Y5
 664   5.478   7.373 0 U         1.294e+001 0.00e+000 -   0   79  357 0
# HA/HZ F28
 665   5.478   8.455 0 U         5.433e+002 0.00e+000 -   0   79  245 0
# HA F28/H C8
 666   5.478   2.604 0 U         7.162e+002 0.00e+000 -   0   79   90 0
# HA/HB3 F28
 667   5.478   7.304 0 U         5.645e+002 0.00e+000 -   0   79  356 0
# HA/HD F28
 668   5.478   5.478 0 U         2.371e+004 0.00e+000 -   0   79   79 0
# HA/HA F28
 669   5.478   4.259 0 U         1.392e+003 0.00e+000 -   0   79  229 0
# HA F28/HA K7
 670   5.478   8.222 0 U         9.678e+001 0.00e+000 -   0   79   78 0
# HA/H F28
 671   5.478   2.725 0 U         1.370e+003 0.00e+000 -   0   79   89 0
# HA/HB2 F28
 672   5.478   8.885 0 U         6.767e+002 0.00e+000 -   0   79  184 0
# HA F28/H C29
 673   3.504   5.022 0 U         5.860e+002 0.00e+000 -   0  372  340 0
# HA P18/HA D17
 674   3.504   0.886 0 U         4.385e+003 0.00e+000 -   0  372  377 0
# HA/HG3 P18
 675   3.504   3.504 0 U         -1.238e+004 0.00e+000 -   0  372  372 0
# HA/HA P18
 676   3.504   1.062 0 U         1.865e+003 0.00e+000 -   0  372  376 0
# HA/HG2 P18
 677   3.504   1.443 0 U         1.115e+003 0.00e+000 -   0  372  375 0
# HA/HB P18
 678   3.504   2.811 0 U         4.035e+002 0.00e+000 -   0  372  341 0
# HA P18/HB D17
 679   3.504   2.340 0 U         5.333e+003 0.00e+000 -   0  372  374 0
# HA/HD P18
 680   8.397   3.494 0 U         6.684e+002 0.00e+000 -   0  345  333 0
# H D9/HB2 Y5
 681   8.397   2.797 0 U         6.583e+002 0.00e+000 -   0  345  347 0
# H/HB D9
 682   8.397   4.994 0 U         2.344e+003 0.00e+000 -   0  345  246 0
# H D9/HA C8
 683   8.397   3.941 0 U         3.927e+003 0.00e+000 -   0  345  346 0
# H/HA D9
 684   8.397   8.397 0 U         1.001e+005 0.00e+000 -   0  345  345 0
# H/H D9
 685   0.881   4.662 0 U         1.959e+003 0.00e+000 -   0  298  233 0
# HD1/HA I12
 686   0.881   8.155 0 U         2.372e+002 0.00e+000 -   0  298  232 0
# HD1/H I12
 687   0.881   1.731 0 U         -5.390e+003 0.00e+000 -   0  298  299 0
# HD1/HG1 I12
 688   0.881   0.881 0 U         -6.661e+009 0.00e+000 -   0  298  298 0
# HD1/HD1 I12
 689   0.881   1.866 0 U         1.437e+004 0.00e+000 -   0  298  297 0
# HD1/HB I12
 690   2.286   4.534 0 U         1.756e+003 0.00e+000 -   0  287  284 0
# HG3/HA Q14
 691   2.286   6.823 0 U         4.576e+002 0.00e+000 -   0  287  362 0
# HG3/HE22 Q14
 692   2.286   8.644 0 U         4.944e+002 0.00e+000 -   0  287  283 0
# HG3/H Q14
 693   2.286   2.146 0 U         4.648e+003 0.00e+000 -   0  287  288 0
# HG3/HB2 Q14
 694   2.286   7.489 0 U         8.158e+002 0.00e+000 -   0  287  361 0
# HG3/HE21 Q14
 695   2.286   2.286 0 U         1.126e+005 0.00e+000 -   0  287  287 0
# HG3/HG3 Q14
 696   2.286   2.862 0 U         5.277e+002 0.00e+000 -   0  287  286 0
# HG3/HG2 Q14
 697   2.286   1.907 0 U         3.004e+003 0.00e+000 -   0  287  285 0
# HG3/HB3 Q14
 698   1.817   3.585 0 U         1.305e+003 0.00e+000 -   0  277  274 0
# HG/HD3 P24
 699   1.817   3.849 0 U         6.985e+002 0.00e+000 -   0  277  273 0
# HG/HD2 P24
 700   1.817   1.817 0 U         -6.261e+005 0.00e+000 -   0  277  277 0
# HG/HG P24
 701   1.817   3.976 0 U         1.416e+003 0.00e+000 -   0  277  272 0
# HG/HA P24
 702   1.817   2.035 0 U         1.053e+004 0.00e+000 -   0  277  276 0
# HG/HB3 P24
 703   1.817   2.335 0 U         1.432e+004 0.00e+000 -   0  277  275 0
# HG/HB2 P24
 704   2.746   2.556 0 U         7.667e+003 0.00e+000 -   0  222  223 0
# HB2/HB3 C21
 705   2.746   2.746 0 U         -2.229e+006 0.00e+000 -   0  222  222 0
# HB2/HB2 C21
 706   2.746   8.676 0 U         5.926e+002 0.00e+000 -   0  222  220 0
# HB2/H C21
 707   2.746   5.534 0 U         -3.117e+002 0.00e+000 -   0  222  338 0
# HB2/HA C21
 708   2.739   2.739 0 U         7.425e+005 0.00e+000 -   0  187  187 0
# HB3/HB3 C29
 709   2.739   2.971 0 U         6.129e+003 0.00e+000 -   0  187  186 0
# HB3/HB2 C29
 710   2.739   8.646 0 U         1.965e+002 0.00e+000 -   0  187  279 0
# HB3 C29/H G6
 711   2.739   4.799 0 U         4.715e+002 0.00e+000 -   0  187  185 0
# HB3/HA C29
 712   2.739   8.885 0 U         1.877e+003 0.00e+000 -   0  187  184 0
# HB3/H C29
 713   1.872   0.809 0 U         2.965e+003 0.00e+000 -   0  249  250 0
# HB/HD1 I2
 714   1.872   1.872 0 U         -6.195e+007 0.00e+000 -   0  249  249 0
# HB/HB I2
 715   1.872   4.169 0 U         -1.238e+002 0.00e+000 -   0  249  235 0
# HB/HA I2
 716   1.872   1.276 0 U         1.191e+003 0.00e+000 -   0  249  253 0
# HB/HG13 I2
 717   1.872   9.118 0 U         1.614e+003 0.00e+000 -   0  249  234 0
# HB/H I2
 718   1.872  10.081 0 U         6.714e+002 0.00e+000 -   0  249  289 0
# HB I2/H H4
 719   1.872   1.368 0 U         1.295e+003 0.00e+000 -   0  249  252 0
# HB/HG12 I2
 720   1.872   1.059 0 U         5.442e+003 0.00e+000 -   0  249  251 0
# HB/HG2 I2
 721   1.725   2.750 0 U         3.321e+001 0.00e+000 -   0  201  198 0
# HB2/HE3 K7
 722   1.725   1.572 0 U         -1.442e+003 0.00e+000 -   0  201  202 0
# HB2/HD K7
 723   1.725   2.948 0 U         8.546e+001 0.00e+000 -   0  201  197 0
# HB2/HE2 K7
 724   1.725   1.725 0 U         -4.247e+005 0.00e+000 -   0  201  201 0
# HB2/HB2 K7
 725   1.725   8.343 0 U         1.748e+003 0.00e+000 -   0  201  191 0
# HB2/H K7
 726   1.725   7.473 0 U         -3.552e+001 0.00e+000 -   0  201  212 0
# HB2/HZ K7
 727   1.725   1.250 0 U         -1.797e+002 0.00e+000 -   0  201  200 0
# HB2/HG3 K7
 728   1.725   4.259 0 U         1.222e+003 0.00e+000 -   0  201  229 0
# HB2/HA K7
 729   1.725   1.406 0 U         -1.373e+003 0.00e+000 -   0  201  199 0
# HB2/HG2 K7
 730   8.748   4.534 0 U         7.353e+002 0.00e+000 -   0  176  284 0
# H C16/HA Q14
 731   8.748   2.641 0 U         8.036e+002 0.00e+000 -   0  176  179 0
# H/HB3 C16
 732   8.748   4.877 0 U         -6.439e+002 0.00e+000 -   0  176  278 0
# H/HA C16
 733   8.748   2.752 0 U         1.575e+003 0.00e+000 -   0  176  178 0
# H/HB2 C16
 734   8.748   8.748 0 U         4.961e+004 0.00e+000 -   0  176  176 0
# H/H C16
 735   8.748   4.111 0 U         5.099e+002 0.00e+000 -   0  176  181 0
# H C16/HA C15
 736   1.452   0.887 0 U         -2.724e+004 0.00e+000 -   0  104  105 0
# HG1/HD1 L20
 737   1.452   4.695 0 U         1.515e+003 0.00e+000 -   0  104   51 0
# HG1/HA L20
 738   1.452   9.429 0 U         2.919e+002 0.00e+000 -   0  104    9 0
# HG1/H L20
 739   1.452   1.576 0 U         2.493e+004 0.00e+000 -   0  104  103 0
# HG1/HB L20
 740   1.452   1.453 0 U         -1.513e+007 0.00e+000 -   0  104  261 0
# HG1/HG L20
 741   1.062   0.886 0 U         -6.262e+003 0.00e+000 -   0  376  377 0
# HG2/HG3 P18
 742   1.062   3.504 0 U         9.402e+002 0.00e+000 -   0  376  372 0
# HG2/HA P18
 743   1.062   1.062 0 U         7.023e+006 0.00e+000 -   0  376  376 0
# HG2/HG2 P18
 744   1.062   1.443 0 U         1.327e+004 0.00e+000 -   0  376  375 0
# HG2/HB P18
 745   1.062   2.340 0 U         9.197e+002 0.00e+000 -   0  376  374 0
# HG2/HD P18
 746   1.362   8.454 0 U         2.620e+002 0.00e+000 -   0  337  368 0
# HB/H A3
 747   4.207   4.207 0 U         3.410e+004 0.00e+000 -   0  282  282 0
# HA2/HA2 G6
 748   4.207   8.343 0 U         2.241e+003 0.00e+000 -   0  282  191 0
# HA2 G6/H K7
 749   4.207   3.559 0 U         5.057e+003 0.00e+000 -   0  282  281 0
# HA2/HA3 G6
 750   4.207   8.646 0 U         1.044e+002 0.00e+000 -   0  282  279 0
# HA2/H G6
 751   3.976   3.585 0 U         1.120e+002 0.00e+000 -   0  272  274 0
# HA/HD3 P24
 752   3.976   3.849 0 U         2.621e+003 0.00e+000 -   0  272  273 0
# HA/HD2 P24
 753   3.976   1.817 0 U         1.562e+003 0.00e+000 -   0  272  277 0
# HA/HG P24
 754   3.976   3.976 0 U         4.301e+004 0.00e+000 -   0  272  272 0
# HA/HA P24
 755   3.976   2.035 0 U         1.704e+003 0.00e+000 -   0  272  276 0
# HA/HB3 P24
 756   3.976   2.335 0 U         2.902e+003 0.00e+000 -   0  272  275 0
# HA/HB2 P24
 757   8.676   2.556 0 U         3.563e+003 0.00e+000 -   0  220  223 0
# H/HB3 C21
 758   8.676   2.746 0 U         1.779e+002 0.00e+000 -   0  220  222 0
# H/HB2 C21
 759   8.676   8.676 0 U         6.911e+004 0.00e+000 -   0  220  220 0
# H/H C21
 760   8.676   5.534 0 U         5.910e+001 0.00e+000 -   0  220  338 0
# H/HA C21
 761   8.676   4.695 0 U         1.484e+003 0.00e+000 -   0  220   51 0
# H C21/HA L20
 762   8.343   2.750 0 U         1.330e+002 0.00e+000 -   0  191  198 0
# H/HE3 K7
 763   8.343   1.572 0 U         -3.650e+002 0.00e+000 -   0  191  202 0
# H/HD K7
 764   8.343   2.948 0 U         2.597e+002 0.00e+000 -   0  191  197 0
# H/HE2 K7
 765   8.343   7.304 0 U         5.729e+002 0.00e+000 -   0  191  356 0
# H K7/HD F28
 766   8.343   1.725 0 U         3.123e+003 0.00e+000 -   0  191  201 0
# H/HB2 K7
 767   8.343   4.207 0 U         8.515e+003 0.00e+000 -   0  191  282 0
# H K7/HA2 G6
 768   8.343   8.343 0 U         2.231e+006 0.00e+000 -   0  191  191 0
# H/H K7
 769   8.343   7.473 0 U         3.706e+001 0.00e+000 -   0  191  212 0
# H/HZ K7
 770   8.343   1.250 0 U         4.815e+002 0.00e+000 -   0  191  200 0
# H/HG3 K7
 771   8.343   4.259 0 U         2.912e+003 0.00e+000 -   0  191  229 0
# H/HA K7
 772   8.343   3.559 0 U         3.848e+003 0.00e+000 -   0  191  281 0
# H K7/HA3 G6
 773   8.343   1.406 0 U         2.503e+003 0.00e+000 -   0  191  199 0
# H/HG2 K7
 774   3.203   2.984 0 U         1.018e+004 0.00e+000 -   0  182  183 0
# HB2/HB3 C15
 775   3.203   3.203 0 U         1.864e+004 0.00e+000 -   0  182  182 0
# HB2/HB2 C15
 776   3.203   4.111 0 U         -3.497e+001 0.00e+000 -   0  182  181 0
# HB2/HA C15
 777   3.203   9.429 0 U         5.100e+002 0.00e+000 -   0  182    9 0
# HB2 C15/H L20
 778   3.203   8.047 0 U         1.259e+002 0.00e+000 -   0  182  180 0
# HB2/H C15
 779   5.534   2.556 0 U         -2.964e+001 0.00e+000 -   0  338  223 0
# HA/HB3 C21
 780   5.534   2.746 0 U         8.041e+001 0.00e+000 -   0  338  222 0
# HA/HB2 C21
 781   5.534   8.676 0 U         -2.194e+001 0.00e+000 -   0  338  220 0
# HA/H C21
 782   5.534   5.534 0 U         1.310e+003 0.00e+000 -   0  338  338 0
# HA/HA C21
 783   3.293   3.048 0 U         2.221e+004 0.00e+000 -   0  303  304 0
# HB2/HB3 N13
 784   3.293   3.293 0 U         8.410e+004 0.00e+000 -   0  303  303 0
# HB2/HB2 N13
 785   3.293   6.260 0 U         4.212e+002 0.00e+000 -   0  303  310 0
# HB2/HD22 N13
 786   3.293   3.725 0 U         6.205e+002 0.00e+000 -   0  303  302 0
# HB2/HA N13
 787   3.293   9.606 0 U         1.284e+003 0.00e+000 -   0  303  301 0
# HB2/H N13
 788   3.293   6.624 0 U         2.753e+003 0.00e+000 -   0  303  307 0
# HB2/HD21 N13
 789   3.409   2.609 0 U         4.860e+003 0.00e+000 -   0  291  292 0
# HB2/HB3 H4
 790   3.409   3.409 0 U         2.440e+004 0.00e+000 -   0  291  291 0
# HB2/HB2 H4
 791   3.409   4.623 0 U         1.202e+003 0.00e+000 -   0  291  290 0
# HB2/HA H4
 792   3.409  10.081 0 U         1.923e+002 0.00e+000 -   0  291  289 0
# HB2/H H4
 793   1.030   4.557 0 U         2.484e+002 0.00e+000 -   0  244  241 0
# HD/HA L30
 794   1.030   8.713 0 U         7.030e+001 0.00e+000 -   0  244  240 0
# HD/H L30
 795   1.030   9.384 0 U         1.281e+002 0.00e+000 -   0  244  171 0
# HD L30/H T22
 796   1.030   1.030 0 U         -1.614e+006 0.00e+000 -   0  244  244 0
# HD/HD L30
 797   1.030   1.626 0 U         2.454e+003 0.00e+000 -   0  244  243 0
# HD/HG L30
 798   1.030   1.824 0 U         -1.278e+003 0.00e+000 -   0  244  242 0
# HD/HB L30
 799   5.364   1.441 0 U         5.174e+001 0.00e+000 -   0  316  328 0
# HA/HG1 I25
 800   5.364   1.810 0 U         -7.700e+000 0.00e+000 -   0  316  327 0
# HA/HB I25
 801   5.364   5.364 0 U         9.476e+002 0.00e+000 -   0  316  316 0
# HA/HA I25
 802   5.364   7.983 0 U         2.754e+001 0.00e+000 -   0  316  315 0
# HA/H I25
 803   5.364   0.877 0 U         1.187e+002 0.00e+000 -   0  316  330 0
# HA/HD1 I25
 804   5.364   1.073 0 U         -9.580e+000 0.00e+000 -   0  316  329 0
# HA/HG2 I25
 805   6.260   3.048 0 U         5.193e+002 0.00e+000 -   0  310  304 0
# HD22/HB3 N13
 806   6.260   3.293 0 U         5.796e+002 0.00e+000 -   0  310  303 0
# HD22/HB2 N13
 807   6.260   6.260 0 U         1.640e+005 0.00e+000 -   0  310  310 0
# HD22/HD22 N13
 808   6.260   3.725 0 U         3.862e+002 0.00e+000 -   0  310  302 0
# HD22/HA N13
 809   6.260   9.606 0 U         1.012e+003 0.00e+000 -   0  310  301 0
# HD22/H N13
 810   6.260   6.624 0 U         8.464e+003 0.00e+000 -   0  310  307 0
# HD22/HD21 N13
 811   7.473   2.750 0 U         -2.876e+000 0.00e+000 -   0  212  198 0
# HZ/HE3 K7
 812   7.473   1.572 0 U         4.000e+000 0.00e+000 -   0  212  202 0
# HZ/HD K7
 813   7.473   2.948 0 U         2.577e+002 0.00e+000 -   0  212  197 0
# HZ/HE2 K7
 814   7.473   1.725 0 U         6.170e+000 0.00e+000 -   0  212  201 0
# HZ/HB2 K7
 815   7.473   8.343 0 U         -4.534e+001 0.00e+000 -   0  212  191 0
# HZ/H K7
 816   7.473   7.473 0 U         1.601e+004 0.00e+000 -   0  212  212 0
# HZ/HZ K7
 817   7.473   1.250 0 U         1.044e+002 0.00e+000 -   0  212  200 0
# HZ/HG3 K7
 818   7.473   4.259 0 U         2.327e+001 0.00e+000 -   0  212  229 0
# HZ/HA K7
 819   7.473   1.406 0 U         8.056e+001 0.00e+000 -   0  212  199 0
# HZ/HG2 K7
 820   1.148   8.346 0 U         1.372e+003 0.00e+000 -   0  205  188 0
# HG2/H I11
 821   1.148   4.176 0 U         5.091e+002 0.00e+000 -   0  205  207 0
# HG2/HA I11
 822   1.148   1.148 0 U         1.434e+005 0.00e+000 -   0  205  205 0
# HG2/HG2 I11
 823   1.148   1.632 0 U         2.103e+002 0.00e+000 -   0  205  204 0
# HG2/HG1 I11
 824   1.148   0.897 0 U         -7.254e+003 0.00e+000 -   0  205  190 0
# HG2/HD1 I11
 825   1.148   1.865 0 U         7.658e+002 0.00e+000 -   0  205  203 0
# HG2/HB I11
 826   7.806   3.494 0 U         2.247e+002 0.00e+000 -   0  366  333 0
# HE1/HB2 Y5
 827   7.806   2.641 0 U         1.809e+003 0.00e+000 -   0  366  179 0
# HE1 Y5/HB3 C16
 828   7.806   4.819 0 U         3.484e+001 0.00e+000 -   0  366  332 0
# HE1/HA Y5
 829   7.806   6.988 0 U         4.031e+004 0.00e+000 -   0  366  367 0
# HE1/HE2 Y5
 830   7.806   7.983 0 U         2.588e+002 0.00e+000 -   0  366  331 0
# HE1/H Y5
 831   7.806   2.752 0 U         2.428e+003 0.00e+000 -   0  366  178 0
# HE1 Y5/HB2 C16
 832   7.806   7.806 0 U         7.480e+004 0.00e+000 -   0  366  366 0
# HE1/HE1 Y5
 833   7.806   2.345 0 U         5.446e+002 0.00e+000 -   0  366  334 0
# HE1/HB3 Y5
 834   0.860   1.405 0 U         5.457e+003 0.00e+000 -   0  326  324 0
# HD1/HG1 I26
 835   0.860   4.389 0 U         6.188e+003 0.00e+000 -   0  326  318 0
# HD1/HA I26
 836   0.860   7.827 0 U         6.671e+002 0.00e+000 -   0  326  317 0
# HD1/H I26
 837   0.860   1.895 0 U         5.165e+003 0.00e+000 -   0  326  323 0
# HD1/HB I26
 838   0.860   0.860 0 U         -8.759e+007 0.00e+000 -   0  326  326 0
# HD1/HD1 I26
 839   0.860   1.039 0 U         -3.257e+003 0.00e+000 -   0  326  325 0
# HD1/HG2 I26
 840   2.587   3.585 0 U         1.769e+003 0.00e+000 -   0  266  274 0
# HB2 P23/HD3 P24
 841   2.587   2.021 0 U         8.007e+002 0.00e+000 -   0  266  268 0
# HB2/HG P23
 842   2.587   3.849 0 U         9.722e+002 0.00e+000 -   0  266  273 0
# HB2 P23/HD2 P24
 843   2.587   2.243 0 U         1.660e+004 0.00e+000 -   0  266  267 0
# HB2/HB3 P23
 844   2.587   2.587 0 U         1.340e+005 0.00e+000 -   0  266  266 0
# HB2/HB2 P23
 845   2.587   3.662 0 U         7.216e+002 0.00e+000 -   0  266  270 0
# HB2/HD3 P23
 846   2.587   5.142 0 U         5.313e+003 0.00e+000 -   0  266  263 0
# HB2/HA P23
 847   2.587   3.970 0 U         1.357e+002 0.00e+000 -   0  266  269 0
# HB2/HD2 P23
 848   1.866   4.662 0 U         2.907e+002 0.00e+000 -   0  297  233 0
# HB/HA I12
 849   1.866   8.155 0 U         1.420e+003 0.00e+000 -   0  297  232 0
# HB/H I12
 850   1.866   1.731 0 U         7.808e+003 0.00e+000 -   0  297  299 0
# HB/HG1 I12
 851   1.866   0.881 0 U         2.162e+003 0.00e+000 -   0  297  298 0
# HB/HD1 I12
 852   1.866   1.866 0 U         1.339e+008 0.00e+000 -   0  297  297 0
# HB/HB I12
 853   2.862   4.534 0 U         1.711e+002 0.00e+000 -   0  286  284 0
# HG2/HA Q14
 854   2.862   6.823 0 U         8.759e+001 0.00e+000 -   0  286  362 0
# HG2/HE22 Q14
 855   2.862   8.644 0 U         5.348e+002 0.00e+000 -   0  286  283 0
# HG2/H Q14
 856   2.862   2.146 0 U         1.480e+002 0.00e+000 -   0  286  288 0
# HG2/HB2 Q14
 857   2.862   7.489 0 U         4.795e+001 0.00e+000 -   0  286  361 0
# HG2/HE21 Q14
 858   2.862   2.286 0 U         3.952e+002 0.00e+000 -   0  286  287 0
# HG2/HG3 Q14
 859   2.862   2.862 0 U         -1.726e+006 0.00e+000 -   0  286  286 0
# HG2/HG2 Q14
 860   2.862   1.907 0 U         8.511e+002 0.00e+000 -   0  286  285 0
# HG2/HB3 Q14
 861   2.035   3.585 0 U         4.678e+003 0.00e+000 -   0  276  274 0
# HB3/HD3 P24
 862   2.035   3.849 0 U         5.400e+003 0.00e+000 -   0  276  273 0
# HB3/HD2 P24
 863   2.035   1.817 0 U         7.108e+003 0.00e+000 -   0  276  277 0
# HB3/HG P24
 864   2.035   3.976 0 U         2.181e+003 0.00e+000 -   0  276  272 0
# HB3/HA P24
 865   2.035   2.035 0 U         2.921e+005 0.00e+000 -   0  276  276 0
# HB3/HB3 P24
 866   2.035   2.335 0 U         5.415e+003 0.00e+000 -   0  276  275 0
# HB3/HB2 P24
 867   4.169   8.454 0 U         9.113e+002 0.00e+000 -   0  235  368 0
# HA I2/H A3
 868   4.169   0.809 0 U         8.944e+002 0.00e+000 -   0  235  250 0
# HA/HD1 I2
 869   4.169   1.872 0 U         -1.655e+002 0.00e+000 -   0  235  249 0
# HA/HB I2
 870   4.169   4.169 0 U         2.474e+004 0.00e+000 -   0  235  235 0
# HA/HA I2
 871   4.169   1.276 0 U         1.120e+002 0.00e+000 -   0  235  253 0
# HA/HG13 I2
 872   4.169   9.118 0 U         1.564e+002 0.00e+000 -   0  235  234 0
# HA/H I2
 873   4.169   1.368 0 U         1.931e+002 0.00e+000 -   0  235  252 0
# HA/HG12 I2
 874   4.169   1.059 0 U         7.338e+002 0.00e+000 -   0  235  251 0
# HA/HG2 I2
 875   2.971   2.739 0 U         1.027e+004 0.00e+000 -   0  186  187 0
# HB2/HB3 C29
 876   2.971   2.971 0 U         -3.035e+004 0.00e+000 -   0  186  186 0
# HB2/HB2 C29
 877   2.971   8.646 0 U         4.072e+002 0.00e+000 -   0  186  279 0
# HB2 C29/H G6
 878   2.971   4.799 0 U         4.264e+002 0.00e+000 -   0  186  185 0
# HB2/HA C29
 879   2.971   8.885 0 U         1.289e+003 0.00e+000 -   0  186  184 0
# HB2/H C29
 880   7.983   1.441 0 U         1.048e+003 0.00e+000 -   0  315  328 0
# H/HG1 I25
 881   7.983   1.810 0 U         6.437e+002 0.00e+000 -   0  315  327 0
# H/HB I25
 882   7.983   5.364 0 U         -6.660e+000 0.00e+000 -   0  315  316 0
# H/HA I25
 883   7.983   7.983 0 U         3.368e+004 0.00e+000 -   0  315  315 0
# H/H I25
 884   7.983   0.877 0 U         4.345e+002 0.00e+000 -   0  315  330 0
# H/HD1 I25
 885   7.983   1.073 0 U         6.351e+002 0.00e+000 -   0  315  329 0
# H/HG2 I25
 886   2.861   4.994 0 U         3.672e+003 0.00e+000 -   0  248  246 0
# HB3/HA C8
 887   2.861   8.455 0 U         1.763e+003 0.00e+000 -   0  248  245 0
# HB3/H C8
 888   2.861   2.861 0 U         1.926e+006 0.00e+000 -   0  248  248 0
# HB3/HB3 C8
 889   2.861  10.081 0 U         8.173e+001 0.00e+000 -   0  248  289 0
# HB3 C8/H H4
 890   2.861   3.242 0 U         2.398e+004 0.00e+000 -   0  248  247 0
# HB3/HB2 C8
 891   1.250   2.750 0 U         -1.445e+002 0.00e+000 -   0  200  198 0
# HG3/HE3 K7
 892   1.250   1.572 0 U         6.369e+003 0.00e+000 -   0  200  202 0
# HG3/HD K7
 893   1.250   2.948 0 U         3.302e+002 0.00e+000 -   0  200  197 0
# HG3/HE2 K7
 894   1.250   1.725 0 U         1.908e+003 0.00e+000 -   0  200  201 0
# HG3/HB2 K7
 895   1.250   8.343 0 U         5.142e+002 0.00e+000 -   0  200  191 0
# HG3/H K7
 896   1.250   7.473 0 U         -3.588e+001 0.00e+000 -   0  200  212 0
# HG3/HZ K7
 897   1.250   1.250 0 U         2.738e+004 0.00e+000 -   0  200  200 0
# HG3/HG3 K7
 898   1.250   4.259 0 U         3.887e+002 0.00e+000 -   0  200  229 0
# HG3/HA K7
 899   1.250   1.406 0 U         1.194e+004 0.00e+000 -   0  200  199 0
# HG3/HG2 K7
 900   4.094   4.094 0 U         8.541e+004 0.00e+000 -   0  320  320 0
# HA/HA G27
 901   4.094   8.222 0 U         1.108e+003 0.00e+000 -   0  320   78 0
# HA G27/H F28
 902   4.094   7.701 0 U         8.822e+002 0.00e+000 -   0  320  319 0
# HA/H G27
 903   1.276   0.809 0 U         3.746e+002 0.00e+000 -   0  253  250 0
# HG13/HD1 I2
 904   1.276   1.872 0 U         -1.446e+002 0.00e+000 -   0  253  249 0
# HG13/HB I2
 905   1.276   4.169 0 U         2.682e+002 0.00e+000 -   0  253  235 0
# HG13/HA I2
 906   1.276   1.276 0 U         8.587e+005 0.00e+000 -   0  253  253 0
# HG13/HG13 I2
 907   1.276   9.118 0 U         7.451e+002 0.00e+000 -   0  253  234 0
# HG13/H I2
 908   1.276   1.368 0 U         -4.130e+003 0.00e+000 -   0  253  252 0
# HG13/HG12 I2
 909   1.276   1.059 0 U         9.611e+003 0.00e+000 -   0  253  251 0
# HG13/HG2 I2
 910   4.259   2.750 0 U         7.173e+001 0.00e+000 -   0  229  198 0
# HA/HE3 K7
 911   4.259   8.455 0 U         1.833e+003 0.00e+000 -   0  229  245 0
# HA K7/H C8
 912   4.259   1.572 0 U         1.261e+002 0.00e+000 -   0  229  202 0
# HA/HD K7
 913   4.259   2.948 0 U         7.074e+001 0.00e+000 -   0  229  197 0
# HA/HE2 K7
 914   4.259   5.478 0 U         6.909e+002 0.00e+000 -   0  229   79 0
# HA K7/HA F28
 915   4.259   1.725 0 U         3.660e+002 0.00e+000 -   0  229  201 0
# HA/HB2 K7
 916   4.259   8.343 0 U         4.829e+002 0.00e+000 -   0  229  191 0
# HA/H K7
 917   4.259   7.473 0 U         -1.110e+001 0.00e+000 -   0  229  212 0
# HA/HZ K7
 918   4.259   1.250 0 U         3.390e+002 0.00e+000 -   0  229  200 0
# HA/HG3 K7
 919   4.259   4.259 0 U         2.382e+004 0.00e+000 -   0  229  229 0
# HA/HA K7
 920   4.259   8.222 0 U         6.625e+000 0.00e+000 -   0  229   78 0
# HA K7/H F28
 921   4.259   1.406 0 U         3.104e+001 0.00e+000 -   0  229  199 0
# HA/HG2 K7
 922   8.222   7.373 0 U         1.820e+002 0.00e+000 -   0   78  357 0
# H/HZ F28
 923   8.222   2.604 0 U         1.476e+003 0.00e+000 -   0   78   90 0
# H/HB3 F28
 924   8.222   7.304 0 U         9.515e+002 0.00e+000 -   0   78  356 0
# H/HD F28
 925   8.222   9.384 0 U         1.010e+003 0.00e+000 -   0   78  171 0
# H F28/H T22
 926   8.222   5.478 0 U         6.404e+002 0.00e+000 -   0   78   79 0
# H/HA F28
 927   8.222   4.094 0 U         6.049e+003 0.00e+000 -   0   78  320 0
# H F28/HA G27
 928   8.222   4.259 0 U         2.019e+002 0.00e+000 -   0   78  229 0
# H F28/HA K7
 929   8.222   8.222 0 U         5.578e+004 0.00e+000 -   0   78   78 0
# H/H F28
 930   8.222   2.725 0 U         5.265e+002 0.00e+000 -   0   78   89 0
# H/HB2 F28
 931   1.443   0.886 0 U         -1.173e+004 0.00e+000 -   0  375  377 0
# HB/HG3 P18
 932   1.443   3.504 0 U         4.290e+002 0.00e+000 -   0  375  372 0
# HB/HA P18
 933   1.443   1.062 0 U         3.862e+004 0.00e+000 -   0  375  376 0
# HB/HG2 P18
 934   1.443   1.443 0 U         8.357e+006 0.00e+000 -   0  375  375 0
# HB/HB P18
 935   1.443   2.340 0 U         2.589e+003 0.00e+000 -   0  375  374 0
# HB/HD P18
 936   1.488   8.454 0 U         5.973e+002 0.00e+000 -   0  370  368 0
# HB/H A3
 937   1.488   1.488 0 U         2.571e+005 0.00e+000 -   0  370  370 0
# HB/HB A3
 938   1.488   4.855 0 U         -7.880e+001 0.00e+000 -   0  370  369 0
# HB/HA A3
 939   0.877   1.441 0 U         -1.613e+004 0.00e+000 -   0  330  328 0
# HD1/HG1 I25
 940   0.877   1.810 0 U         -3.161e+003 0.00e+000 -   0  330  327 0
# HD1/HB I25
 941   0.877   5.364 0 U         4.404e+002 0.00e+000 -   0  330  316 0
# HD1/HA I25
 942   0.877   7.983 0 U         -6.335e+002 0.00e+000 -   0  330  315 0
# HD1/H I25
 943   0.877   0.877 0 U         2.362e+009 0.00e+000 -   0  330  330 0
# HD1/HD1 I25
 944   0.877   1.073 0 U         -1.695e+004 0.00e+000 -   0  330  329 0
# HD1/HG2 I25
 945   3.559   4.207 0 U         1.201e+004 0.00e+000 -   0  281  282 0
# HA3/HA2 G6
 946   3.559   8.343 0 U         1.714e+003 0.00e+000 -   0  281  191 0
# HA3 G6/H K7
 947   3.559   3.559 0 U         3.847e+004 0.00e+000 -   0  281  281 0
# HA3/HA3 G6
 948   3.559   8.646 0 U         7.248e+002 0.00e+000 -   0  281  279 0
# HA3/H G6
 949   3.662   2.021 0 U         2.862e+003 0.00e+000 -   0  270  268 0
# HD3/HG P23
 950   3.662   2.243 0 U         2.611e+002 0.00e+000 -   0  270  267 0
# HD3/HB3 P23
 951   3.662   2.587 0 U         1.073e+003 0.00e+000 -   0  270  266 0
# HD3/HB2 P23
 952   3.662   3.662 0 U         2.103e+005 0.00e+000 -   0  270  270 0
# HD3/HD3 P23
 953   3.662   5.142 0 U         5.644e+002 0.00e+000 -   0  270  263 0
# HD3/HA P23
 954   3.662   3.970 0 U         1.185e+004 0.00e+000 -   0  270  269 0
# HD3/HD2 P23
 955   9.118   4.662 0 U         3.224e+003 0.00e+000 -   0  234  233 0
# H I2/HA I12
 956   9.118   0.809 0 U         7.150e+002 0.00e+000 -   0  234  250 0
# H/HD1 I2
 957   9.118   1.872 0 U         3.058e+003 0.00e+000 -   0  234  249 0
# H/HB I2
 958   9.118   4.169 0 U         9.664e+002 0.00e+000 -   0  234  235 0
# H/HA I2
 959   9.118   1.276 0 U         2.064e+003 0.00e+000 -   0  234  253 0
# H/HG13 I2
 960   9.118   9.118 0 U         4.268e+004 0.00e+000 -   0  234  234 0
# H/H I2
 961   9.118  10.081 0 U         7.519e+002 0.00e+000 -   0  234  289 0
# H I2/H H4
 962   9.118   4.799 0 U         -2.773e+002 0.00e+000 -   0  234  185 0
# H I2/HA C29
 963   9.118   1.368 0 U         1.634e+003 0.00e+000 -   0  234  252 0
# H/HG12 I2
 964   9.118   1.059 0 U         5.374e+002 0.00e+000 -   0  234  251 0
# H/HG2 I2
 965   4.111   2.984 0 U         -3.884e+001 0.00e+000 -   0  181  183 0
# HA/HB3 C15
 966   4.111   8.748 0 U         4.864e+002 0.00e+000 -   0  181  176 0
# HA C15/H C16
 967   4.111   3.203 0 U         -4.252e+001 0.00e+000 -   0  181  182 0
# HA/HB2 C15
 968   4.111   4.111 0 U         2.824e+004 0.00e+000 -   0  181  181 0
# HA/HA C15
 969   4.111   8.047 0 U         6.598e+001 0.00e+000 -   0  181  180 0
# HA/H C15
 970   3.725   3.048 0 U         1.862e+003 0.00e+000 -   0  302  304 0
# HA/HB3 N13
 971   3.725   3.293 0 U         -1.475e+003 0.00e+000 -   0  302  303 0
# HA/HB2 N13
 972   3.725   6.260 0 U         2.138e+002 0.00e+000 -   0  302  310 0
# HA/HD22 N13
 973   3.725   3.725 0 U         6.902e+004 0.00e+000 -   0  302  302 0
# HA/HA N13
 974   3.725   9.606 0 U         3.839e+003 0.00e+000 -   0  302  301 0
# HA/H N13
 975   3.725   6.624 0 U         1.741e+003 0.00e+000 -   0  302  307 0
# HA/HD21 N13
 976   4.623   8.713 0 U         1.575e+002 0.00e+000 -   0  290  240 0
# HA H4/H L30
 977   4.623   2.609 0 U         1.172e+003 0.00e+000 -   0  290  292 0
# HA/HB3 H4
 978   4.623   3.409 0 U         -3.770e+002 0.00e+000 -   0  290  291 0
# HA/HB2 H4
 979   4.623   4.623 0 U         8.067e+002 0.00e+000 -   0  290  290 0
# HA/HA H4
 980   4.623  10.081 0 U         -7.089e+001 0.00e+000 -   0  290  289 0
# HA/H H4
 981   1.626   4.557 0 U         6.330e+002 0.00e+000 -   0  243  241 0
# HG/HA L30
 982   1.626   8.713 0 U         5.806e+002 0.00e+000 -   0  243  240 0
# HG/H L30
 983   1.626   1.030 0 U         2.156e+003 0.00e+000 -   0  243  244 0
# HG/HD L30
 984   1.626   1.626 0 U         -3.501e+004 0.00e+000 -   0  243  243 0
# HG/HG L30
 985   1.626   1.824 0 U         2.176e+003 0.00e+000 -   0  243  242 0
# HG/HB L30
 986   2.725   7.373 0 U         4.542e+001 0.00e+000 -   0   89  357 0
# HB2/HZ F28
 987   2.725   2.604 0 U         1.209e+004 0.00e+000 -   0   89   90 0
# HB2/HB3 F28
 988   2.725   7.304 0 U         1.965e+003 0.00e+000 -   0   89  356 0
# HB2/HD F28
 989   2.725   5.478 0 U         1.450e+003 0.00e+000 -   0   89   79 0
# HB2/HA F28
 990   2.725   8.222 0 U         7.499e+000 0.00e+000 -   0   89   78 0
# HB2/H F28
 991   2.725   2.725 0 U         -5.601e+004 0.00e+000 -   0   89   89 0
# HB2/HB2 F28
 992   4.695   0.887 0 U         1.985e+003 0.00e+000 -   0   51  105 0
# HA/HD1 L20
 993   4.695   8.676 0 U         5.769e+002 0.00e+000 -   0   51  220 0
# HA L20/H C21
 994   4.695   4.695 0 U         -9.012e+002 0.00e+000 -   0   51   51 0
# HA/HA L20
 995   4.695   9.429 0 U         -1.624e+003 0.00e+000 -   0   51    9 0
# HA/H L20
 996   4.695   1.576 0 U         5.272e+002 0.00e+000 -   0   51  103 0
# HA/HB L20
 997   4.695   1.453 0 U         -1.408e+002 0.00e+000 -   0   51  261 0
# HA/HG L20
 998   7.701   4.389 0 U         6.858e+003 0.00e+000 -   0  319  318 0
# H G27/HA I26
 999   7.701   8.455 0 U         7.524e+002 0.00e+000 -   0  319  245 0
# H G27/H C8
1000   7.701   4.094 0 U         4.107e+003 0.00e+000 -   0  319  320 0
# H/HA G27
1001   7.701   7.701 0 U         8.175e+004 0.00e+000 -   0  319  319 0
# H/H G27
1002   1.632   8.346 0 U         1.970e+003 0.00e+000 -   0  204  188 0
# HG1/H I11
1003   1.632   4.176 0 U         4.615e+001 0.00e+000 -   0  204  207 0
# HG1/HA I11
1004   1.632   1.148 0 U         -2.011e+002 0.00e+000 -   0  204  205 0
# HG1/HG2 I11
1005   1.632   1.632 0 U         1.580e+005 0.00e+000 -   0  204  204 0
# HG1/HG1 I11
1006   1.632   0.897 0 U         -9.917e+002 0.00e+000 -   0  204  190 0
# HG1/HD1 I11
1007   1.632   1.865 0 U         3.839e+003 0.00e+000 -   0  204  203 0
# HG1/HB I11
1008   9.429   0.887 0 U         2.253e+002 0.00e+000 -   0    9  105 0
# H/HD1 L20
1009   9.429   2.984 0 U         6.450e+002 0.00e+000 -   0    9  183 0
# H L20/HB3 C15
1010   9.429   3.203 0 U         7.361e+002 0.00e+000 -   0    9  182 0
# H L20/HB2 C15
1011   9.429   4.695 0 U         1.101e+003 0.00e+000 -   0    9   51 0
# H/HA L20
1012   9.429   9.429 0 U         2.872e+004 0.00e+000 -   0    9    9 0
# H/H L20
1013   9.429   1.576 0 U         2.140e+003 0.00e+000 -   0    9  103 0
# H/HB L20
1014   9.429   1.453 0 U         6.782e+002 0.00e+000 -   0    9  261 0
# H/HG L20
1015   9.429   4.747 0 U         1.026e+003 0.00e+000 -   0    9  312 0
# H L20/HA W19
1016   8.047   4.534 0 U         2.555e+002 0.00e+000 -   0  180  284 0
# H C15/HA Q14
1017   8.047   2.984 0 U         4.304e+002 0.00e+000 -   0  180  183 0
# H/HB3 C15
1018   8.047   3.203 0 U         1.467e+002 0.00e+000 -   0  180  182 0
# H/HB2 C15
1019   8.047   4.111 0 U         1.210e+002 0.00e+000 -   0  180  181 0
# H/HA C15
1020   8.047   8.047 0 U         1.837e+004 0.00e+000 -   0  180  180 0
# H/H C15
1021   1.258   4.305 0 U         2.505e+003 0.00e+000 -   0  174  173 0
# HG1/HB T22
1022   1.258   4.434 0 U         2.764e+002 0.00e+000 -   0  174  172 0
# HG1/HA T22
1023   1.258   9.384 0 U         1.818e+002 0.00e+000 -   0  174  171 0
# HG1/H T22
1024   1.258   1.258 0 U         7.035e+004 0.00e+000 -   0  174  174 0
# HG1/HG1 T22
1025   2.811   5.022 0 U         2.813e+003 0.00e+000 -   0  341  340 0
# HB/HA D17
1026   2.811   8.434 0 U         9.788e+002 0.00e+000 -   0  341  339 0
# HB/H D17
1027   2.811   3.504 0 U         6.246e+001 0.00e+000 -   0  341  372 0
# HB D17/HA P18
1028   2.811   2.811 0 U         4.109e+004 0.00e+000 -   0  341  341 0
# HB/HB D17
1029   2.345   3.494 0 U         4.003e+003 0.00e+000 -   0  334  333 0
# HB3/HB2 Y5
1030   2.345   4.819 0 U         -1.423e+002 0.00e+000 -   0  334  332 0
# HB3/HA Y5
1031   2.345   6.988 0 U         3.987e+001 0.00e+000 -   0  334  367 0
# HB3/HE2 Y5
1032   2.345   7.983 0 U         1.664e+003 0.00e+000 -   0  334  331 0
# HB3/H Y5
1033   2.345   7.806 0 U         1.883e+003 0.00e+000 -   0  334  366 0
# HB3/HE1 Y5
1034   2.345   2.345 0 U         1.547e+005 0.00e+000 -   0  334  334 0
# HB3/HB3 Y5
1035   1.039   1.405 0 U         1.339e+004 0.00e+000 -   0  325  324 0
# HG2/HG1 I26
1036   1.039   4.389 0 U         1.269e+003 0.00e+000 -   0  325  318 0
# HG2/HA I26
1037   1.039   7.827 0 U         1.642e+002 0.00e+000 -   0  325  317 0
# HG2/H I26
1038   1.039   1.895 0 U         1.263e+003 0.00e+000 -   0  325  323 0
# HG2/HB I26
1039   1.039   0.860 0 U         -9.628e+003 0.00e+000 -   0  325  326 0
# HG2/HD1 I26
1040   1.039   1.039 0 U         2.753e+006 0.00e+000 -   0  325  325 0
# HG2/HG2 I26
1041   9.606   4.534 0 U         3.105e+002 0.00e+000 -   0  301  284 0
# H N13/HA Q14
1042   9.606   2.750 0 U         1.059e+003 0.00e+000 -   0  301  198 0
# H N13/HE3 K7
1043   9.606   8.644 0 U         1.405e+003 0.00e+000 -   0  301  283 0
# H N13/H Q14
1044   9.606   3.048 0 U         1.888e+003 0.00e+000 -   0  301  304 0
# H/HB3 N13
1045   9.606   2.948 0 U         2.068e+003 0.00e+000 -   0  301  197 0
# H N13/HE2 K7
1046   9.606   3.293 0 U         1.248e+003 0.00e+000 -   0  301  303 0
# H/HB2 N13
1047   9.606   6.260 0 U         1.315e+003 0.00e+000 -   0  301  310 0
# H/HD22 N13
1048   9.606   3.725 0 U         7.595e+003 0.00e+000 -   0  301  302 0
# H/HA N13
1049   9.606   9.606 0 U         5.267e+004 0.00e+000 -   0  301  301 0
# H/H N13
1050   9.606   6.624 0 U         4.485e+002 0.00e+000 -   0  301  307 0
# H/HD21 N13
1051  10.081   2.609 0 U         1.436e+003 0.00e+000 -   0  289  292 0
# H/HB3 H4
1052  10.081   2.948 0 U         8.021e+002 0.00e+000 -   0  289  197 0
# H H4/HE2 K7
1053  10.081   1.872 0 U         8.110e+002 0.00e+000 -   0  289  249 0
# H H4/HB I2
1054  10.081   3.409 0 U         6.543e+002 0.00e+000 -   0  289  291 0
# H/HB2 H4
1055  10.081   2.861 0 U         3.953e+002 0.00e+000 -   0  289  248 0
# H H4/HB3 C8
1056  10.081   9.118 0 U         8.769e+002 0.00e+000 -   0  289  234 0
# H H4/H I2
1057  10.081   4.623 0 U         1.184e+003 0.00e+000 -   0  289  290 0
# H/HA H4
1058  10.081  10.081 0 U         5.234e+004 0.00e+000 -   0  289  289 0
# H/H H4
1059  10.081   3.242 0 U         4.490e+002 0.00e+000 -   0  289  247 0
# H H4/HB2 C8
1060  10.081   4.855 0 U         5.855e+003 0.00e+000 -   0  289  369 0
# H H4/HA A3
1061   1.907   4.534 0 U         2.456e+003 0.00e+000 -   0  285  284 0
# HB3/HA Q14
1062   1.907   6.823 0 U         5.859e+001 0.00e+000 -   0  285  362 0
# HB3/HE22 Q14
1063   1.907   8.644 0 U         1.210e+003 0.00e+000 -   0  285  283 0
# HB3/H Q14
1064   1.907   2.146 0 U         8.539e+003 0.00e+000 -   0  285  288 0
# HB3/HB2 Q14
1065   1.907   7.489 0 U         1.131e+002 0.00e+000 -   0  285  361 0
# HB3/HE21 Q14
1066   1.907   2.286 0 U         4.557e+003 0.00e+000 -   0  285  287 0
# HB3/HG3 Q14
1067   1.907   2.862 0 U         3.849e+002 0.00e+000 -   0  285  286 0
# HB3/HG2 Q14
1068   1.907   1.907 0 U         9.108e+005 0.00e+000 -   0  285  285 0
# HB3/HB3 Q14
1069   8.646   4.819 0 U         2.531e+003 0.00e+000 -   0  279  332 0
# H G6/HA Y5
1070   8.646   2.739 0 U         4.421e+002 0.00e+000 -   0  279  187 0
# H G6/HB3 C29
1071   8.646   4.207 0 U         1.123e+003 0.00e+000 -   0  279  282 0
# H/HA2 G6
1072   8.646   2.971 0 U         6.774e+002 0.00e+000 -   0  279  186 0
# H G6/HB2 C29
1073   8.646   3.559 0 U         2.160e+003 0.00e+000 -   0  279  281 0
# H/HA3 G6
1074   8.646   8.646 0 U         -1.037e+006 0.00e+000 -   0  279  279 0
# H/H G6
1075   2.335   3.585 0 U         1.733e+002 0.00e+000 -   0  275  274 0
# HB2/HD3 P24
1076   2.335   7.827 0 U         -3.925e+002 0.00e+000 -   0  275  317 0
# HB2 P24/H I26
1077   2.335   3.849 0 U         6.408e+002 0.00e+000 -   0  275  273 0
# HB2/HD2 P24
1078   2.335   1.817 0 U         1.616e+004 0.00e+000 -   0  275  277 0
# HB2/HG P24
1079   2.335   3.976 0 U         3.633e+003 0.00e+000 -   0  275  272 0
# HB2/HA P24
1080   2.335   2.035 0 U         4.119e+003 0.00e+000 -   0  275  276 0
# HB2/HB3 P24
1081   2.335   2.335 0 U         -3.473e+005 0.00e+000 -   0  275  275 0
# HB2/HB2 P24
1082   5.142   3.585 0 U         2.872e+002 0.00e+000 -   0  263  274 0
# HA P23/HD3 P24
1083   5.142   2.021 0 U         1.313e+002 0.00e+000 -   0  263  268 0
# HA/HG P23
1084   5.142   4.434 0 U         1.212e+002 0.00e+000 -   0  263  172 0
# HA P23/HA T22
1085   5.142   3.849 0 U         7.303e+002 0.00e+000 -   0  263  273 0
# HA P23/HD2 P24
1086   5.142   2.243 0 U         4.968e+002 0.00e+000 -   0  263  267 0
# HA/HB3 P23
1087   5.142   2.587 0 U         5.052e+002 0.00e+000 -   0  263  266 0
# HA/HB2 P23
1088   5.142   3.662 0 U         1.078e+002 0.00e+000 -   0  263  270 0
# HA/HD3 P23
1089   5.142   5.142 0 U         1.108e+004 0.00e+000 -   0  263  263 0
# HA/HA P23
1090   5.142   3.970 0 U         -1.884e+001 0.00e+000 -   0  263  269 0
# HA/HD2 P23
1091   3.942   4.330 0 U         1.736e+003 0.00e+000 -   0  219  218 0
# HA3/HA2 G10
1092   3.942   8.346 0 U         1.359e+003 0.00e+000 -   0  219  188 0
# HA3 G10/H I11
1093   3.942   3.942 0 U         -1.653e+006 0.00e+000 -   0  219  219 0
# HA3/HA3 G10
1094   3.942   8.559 0 U         4.924e+003 0.00e+000 -   0  219  109 0
# HA3/H G10
1095   4.799   8.713 0 U         5.566e+003 0.00e+000 -   0  185  240 0
# HA C29/H L30
1096   4.799   2.739 0 U         3.185e+003 0.00e+000 -   0  185  187 0
# HA/HB3 C29
1097   4.799   2.971 0 U         1.346e+004 0.00e+000 -   0  185  186 0
# HA/HB2 C29
1098   4.799   9.118 0 U         4.204e+003 0.00e+000 -   0  185  234 0
# HA C29/H I2
1099   4.799   4.799 0 U         -4.364e+004 0.00e+000 -   0  185  185 0
# HA/HA C29
1100   4.799   8.885 0 U         1.803e+002 0.00e+000 -   0  185  184 0
# HA/H C29
1101   4.799   8.559 0 U         3.383e+003 0.00e+000 -   0  185  109 0
# HA C29/H G10
1102   2.325   8.781 0 U         7.754e+001 0.00e+000 -   0  348  311 0
# HB2/H W19
1103   2.325   9.725 0 U         7.383e+001 0.00e+000 -   0  348  352 0
# HB2/HE1 W19
1104   2.325   2.325 0 U         2.303e+005 0.00e+000 -   0  348  348 0
# HB2/HB2 W19
1105   2.325   1.875 0 U         2.326e+002 0.00e+000 -   0  348  358 0
# HB2/HB3 W19
1106   2.325   4.747 0 U         -2.355e+001 0.00e+000 -   0  348  312 0
# HB2/HA W19
1107   3.242   4.994 0 U         1.295e+003 0.00e+000 -   0  247  246 0
# HB2/HA C8
1108   3.242   8.455 0 U         1.336e+003 0.00e+000 -   0  247  245 0
# HB2/H C8
1109   3.242   2.861 0 U         1.763e+004 0.00e+000 -   0  247  248 0
# HB2/HB3 C8
1110   3.242  10.081 0 U         2.233e+002 0.00e+000 -   0  247  289 0
# HB2 C8/H H4
1111   3.242   3.242 0 U         1.248e+005 0.00e+000 -   0  247  247 0
# HB2/HB2 C8
1112   1.406   2.750 0 U         1.434e+002 0.00e+000 -   0  199  198 0
# HG2/HE3 K7
1113   1.406   1.572 0 U         6.430e+003 0.00e+000 -   0  199  202 0
# HG2/HD K7
1114   1.406   2.948 0 U         1.422e+002 0.00e+000 -   0  199  197 0
# HG2/HE2 K7
1115   1.406   1.725 0 U         1.608e+003 0.00e+000 -   0  199  201 0
# HG2/HB2 K7
1116   1.406   8.343 0 U         1.138e+003 0.00e+000 -   0  199  191 0
# HG2/H K7
1117   1.406   7.473 0 U         3.138e+001 0.00e+000 -   0  199  212 0
# HG2/HZ K7
1118   1.406   1.250 0 U         5.837e+003 0.00e+000 -   0  199  200 0
# HG2/HG3 K7
1119   1.406   4.259 0 U         3.792e+002 0.00e+000 -   0  199  229 0
# HG2/HA K7
1120   1.406   1.406 0 U         7.123e+005 0.00e+000 -   0  199  199 0
# HG2/HG2 K7
1121   1.875   8.781 0 U         1.388e+003 0.00e+000 -   0  358  311 0
# HB3/H W19
1122   1.875   9.725 0 U         -6.939e+001 0.00e+000 -   0  358  352 0
# HB3/HE1 W19
1123   1.875   2.325 0 U         3.028e+003 0.00e+000 -   0  358  348 0
# HB3/HB2 W19
1124   1.875   1.875 0 U         3.338e+007 0.00e+000 -   0  358  358 0
# HB3/HB3 W19
1125   1.875   4.747 0 U         5.060e+002 0.00e+000 -   0  358  312 0
# HB3/HA W19
1126   1.368   0.809 0 U         -9.532e+002 0.00e+000 -   0  252  250 0
# HG12/HD1 I2
1127   1.368   1.872 0 U         2.164e+003 0.00e+000 -   0  252  249 0
# HG12/HB I2
1128   1.368   4.169 0 U         4.675e+002 0.00e+000 -   0  252  235 0
# HG12/HA I2
1129   1.368   1.276 0 U         1.006e+004 0.00e+000 -   0  252  253 0
# HG12/HG13 I2
1130   1.368   9.118 0 U         6.544e+002 0.00e+000 -   0  252  234 0
# HG12/H I2
1131   1.368   1.368 0 U         1.901e+005 0.00e+000 -   0  252  252 0
# HG12/HG12 I2
1132   1.368   1.059 0 U         3.070e+002 0.00e+000 -   0  252  251 0
# HG12/HG2 I2
1133   1.576   0.887 0 U         1.737e+003 0.00e+000 -   0  103  105 0
# HB/HD1 L20
1134   1.576   4.695 0 U         1.482e+003 0.00e+000 -   0  103   51 0
# HB/HA L20
1135   1.576   9.429 0 U         1.078e+003 0.00e+000 -   0  103    9 0
# HB/H L20
1136   1.576   1.576 0 U         6.690e+005 0.00e+000 -   0  103  103 0
# HB/HB L20
1137   1.576   1.453 0 U         2.170e+004 0.00e+000 -   0  103  261 0
# HB/HG L20
1138   2.340   8.781 0 U         2.038e+002 0.00e+000 -   0  374  311 0
# HD P18/H W19
1139   2.340   0.886 0 U         4.675e+003 0.00e+000 -   0  374  377 0
# HD/HG3 P18
1140   2.340   3.504 0 U         -2.108e+003 0.00e+000 -   0  374  372 0
# HD/HA P18
1141   2.340   1.062 0 U         1.507e+003 0.00e+000 -   0  374  376 0
# HD/HG2 P18
1142   2.340   1.443 0 U         3.681e+003 0.00e+000 -   0  374  375 0
# HD/HB P18
1143   2.340   2.340 0 U         3.003e+005 0.00e+000 -   0  374  374 0
# HD/HD P18
1144   4.855   8.454 0 U         1.857e+003 0.00e+000 -   0  369  368 0
# HA/H A3
1145   4.855   1.488 0 U         -4.696e+002 0.00e+000 -   0  369  370 0
# HA/HB A3
1146   4.855  10.081 0 U         9.843e+002 0.00e+000 -   0  369  289 0
# HA A3/H H4
1147   4.855   4.855 0 U         -1.713e+004 0.00e+000 -   0  369  369 0
# HA/HA A3
1148   1.073   1.441 0 U         8.191e+003 0.00e+000 -   0  329  328 0
# HG2/HG1 I25
1149   1.073   1.810 0 U         -4.706e+001 0.00e+000 -   0  329  327 0
# HG2/HB I25
1150   1.073   5.364 0 U         1.982e+001 0.00e+000 -   0  329  316 0
# HG2/HA I25
1151   1.073   7.983 0 U         4.739e+002 0.00e+000 -   0  329  315 0
# HG2/H I25
1152   1.073   0.877 0 U         -9.380e+002 0.00e+000 -   0  329  330 0
# HG2/HD1 I25
1153   1.073   1.073 0 U         -1.056e+006 0.00e+000 -   0  329  329 0
# HG2/HG2 I25
1154   3.970   2.021 0 U         1.532e+003 0.00e+000 -   0  269  268 0
# HD2/HG P23
1155   3.970   2.243 0 U         5.114e+002 0.00e+000 -   0  269  267 0
# HD2/HB3 P23
1156   3.970   2.587 0 U         1.684e+002 0.00e+000 -   0  269  266 0
# HD2/HB2 P23
1157   3.970   3.662 0 U         1.063e+004 0.00e+000 -   0  269  270 0
# HD2/HD3 P23
1158   3.970   5.142 0 U         3.447e+002 0.00e+000 -   0  269  263 0
# HD2/HA P23
1159   3.970   3.970 0 U         6.558e+004 0.00e+000 -   0  269  269 0
# HD2/HD2 P23
1160   1.453   0.887 0 U         3.197e+004 0.00e+000 -   0  261  105 0
# HG/HD1 L20
1161   1.453   4.695 0 U         1.515e+003 0.00e+000 -   0  261   51 0
# HG/HA L20
1162   1.453   9.429 0 U         1.961e+002 0.00e+000 -   0  261    9 0
# HG/H L20
1163   1.453   1.576 0 U         2.432e+004 0.00e+000 -   0  261  103 0
# HG/HB L20
1164   1.453   1.453 0 U         1.299e+007 0.00e+000 -   0  261  261 0
# HG/HG L20
1165   8.885   2.604 0 U         5.201e+002 0.00e+000 -   0  184   90 0
# H C29/HB3 F28
1166   8.885   5.478 0 U         3.896e+003 0.00e+000 -   0  184   79 0
# H C29/HA F28
1167   8.885   2.739 0 U         1.672e+003 0.00e+000 -   0  184  187 0
# H/HB3 C29
1168   8.885   2.971 0 U         2.468e+003 0.00e+000 -   0  184  186 0
# H/HB2 C29
1169   8.885   4.799 0 U         2.250e+002 0.00e+000 -   0  184  185 0
# H/HA C29
1170   8.885   8.885 0 U         5.128e+004 0.00e+000 -   0  184  184 0
# H/H C29
1171   8.559   4.330 0 U         4.902e+002 0.00e+000 -   0  109  218 0
# H/HA2 G10
1172   8.559   3.942 0 U         1.152e+005 0.00e+000 -   0  109  219 0
# H/HA3 G10
1173   8.559   4.799 0 U         8.046e+001 0.00e+000 -   0  109  185 0
# H G10/HA C29
1174   8.559   8.559 0 U         5.016e+004 0.00e+000 -   0  109  109 0
# H/H G10
1175   1.824   4.557 0 U         6.114e+002 0.00e+000 -   0  242  241 0
# HB/HA L30
1176   1.824   8.713 0 U         6.407e+002 0.00e+000 -   0  242  240 0
# HB/H L30
1177   1.824   1.030 0 U         -6.825e+002 0.00e+000 -   0  242  244 0
# HB/HD L30
1178   1.824   1.626 0 U         7.492e+002 0.00e+000 -   0  242  243 0
# HB/HG L30
1179   1.824   1.824 0 U         5.162e+005 0.00e+000 -   0  242  242 0
# HB/HB L30
1180   0.897   8.346 0 U         3.935e+002 0.00e+000 -   0  190  188 0
# HD1/H I11
1181   0.897   4.176 0 U         8.474e+001 0.00e+000 -   0  190  207 0
# HD1/HA I11
1182   0.897   1.148 0 U         -5.069e+003 0.00e+000 -   0  190  205 0
# HD1/HG2 I11
1183   0.897   1.632 0 U         -1.856e+003 0.00e+000 -   0  190  204 0
# HD1/HG1 I11
1184   0.897   0.897 0 U         3.429e+008 0.00e+000 -   0  190  190 0
# HD1/HD1 I11
1185   0.897   1.865 0 U         -8.262e+003 0.00e+000 -   0  190  203 0
# HD1/HB I11
1186   4.747   8.781 0 U         -1.546e+003 0.00e+000 -   0  312  311 0
# HA/H W19
1187   4.747   9.725 0 U         4.618e+003 0.00e+000 -   0  312  352 0
# HA/HE1 W19
1188   4.747   9.429 0 U         -1.628e+003 0.00e+000 -   0  312    9 0
# HA W19/H L20
1189   4.747   2.325 0 U         5.176e+003 0.00e+000 -   0  312  348 0
# HA/HB2 W19
1190   4.747   1.875 0 U         -7.653e+002 0.00e+000 -   0  312  358 0
# HA/HB3 W19
1191   4.747   4.747 0 U         -4.654e+003 0.00e+000 -   0  312  312 0
# HA/HA W19
1192   6.624   3.048 0 U         7.204e+003 0.00e+000 -   0  307  304 0
# HD21/HB3 N13
1193   6.624   3.293 0 U         8.460e+003 0.00e+000 -   0  307  303 0
# HD21/HB2 N13
1194   6.624   6.260 0 U         1.573e+004 0.00e+000 -   0  307  310 0
# HD21/HD22 N13
1195   6.624   3.725 0 U         7.040e+003 0.00e+000 -   0  307  302 0
# HD21/HA N13
1196   6.624   9.606 0 U         8.615e+002 0.00e+000 -   0  307  301 0
# HD21/H N13
1197   6.624   6.624 0 U         1.970e+005 0.00e+000 -   0  307  307 0
# HD21/HD21 N13
1198   1.059   0.809 0 U         1.885e+003 0.00e+000 -   0  251  250 0
# HG2/HD1 I2
1199   1.059   1.872 0 U         2.912e+003 0.00e+000 -   0  251  249 0
# HG2/HB I2
1200   1.059   4.169 0 U         1.343e+003 0.00e+000 -   0  251  235 0
# HG2/HA I2
1201   1.059   1.276 0 U         3.471e+003 0.00e+000 -   0  251  253 0
# HG2/HG13 I2
1202   1.059   9.118 0 U         -4.413e+001 0.00e+000 -   0  251  234 0
# HG2/H I2
1203   1.059   1.368 0 U         -1.998e+003 0.00e+000 -   0  251  252 0
# HG2/HG12 I2
1204   1.059   1.059 0 U         -6.444e+006 0.00e+000 -   0  251  251 0
# HG2/HG2 I2
1205   1.865   8.346 0 U         2.210e+003 0.00e+000 -   0  203  188 0
# HB/H I11
1206   1.865   4.176 0 U         1.257e+003 0.00e+000 -   0  203  207 0
# HB/HA I11
1207   1.865   1.148 0 U         1.093e+003 0.00e+000 -   0  203  205 0
# HB/HG2 I11
1208   1.865   1.632 0 U         2.020e+003 0.00e+000 -   0  203  204 0
# HB/HG1 I11
1209   1.865   0.897 0 U         4.945e+003 0.00e+000 -   0  203  190 0
# HB/HD1 I11
1210   1.865   1.865 0 U         -1.044e+008 0.00e+000 -   0  203  203 0
# HB/HB I11
# Structure of model1 (i-tasser) from MOLMOL 
  1 CYSS   PSI    50.0    70.0
  2 ILE   PHI     45.0     75.0
  2 ILE   PSI     110.0    130.0
  3 ALA   PHI     -80.0    -60.0 
  3 ALA   PSI     140.0    160.0 
  4 HIS+  PHI     -60.0    -40.0    
  4 HIS+  PSI     100.0    120.0
  5 TYR   PHI     40.0     60.0 
  5 TYR   PSI     15.0      35.0 
  6 GLY   PHI     -100.0    -80.0
  6 GLY   PSI     150.0    170.0 
  7 LYS+  PHI     -70.0    -50.0
  7 LYS+  PSI     130.0    150.0 
  8 CYSS   PHI     -140.0    -120.0 
  8 CYSS   PSI     150.0    170.0 
  9 ASP   PHI     -80.0    -60.0 
  9 ASP   PSI     -35.0   -15.0 
 10 GLY   PHI     100.0     120.0 
 10 GLY   PSI     -90.0     -70.0
 11 ILE   PHI     -80.0    -60.0 
 11 ILE   PSI     -35.0    -15.0 
 12 ILE   PHI     -110.0    -90.0 
 12 ILE   PSI     80.0     100.0 
 13 ASN   PHI     -100.0   -80.0 
 13 ASN   PSI     10.0      30.0 
 14 GLN   PHI     -80.0    -60.0 
 14 GLN   PSI      70.0     90.0 
 15 CYSS   PHI     -110.0    -90.0 
 15 CYSS   PSI     105.0    125.0
 16 CYSS   PHI     -55.0    -35.0 
 16 CYSS   PSI     -85.0    -65.0 
 17 ASP   PHI     -135.0    -115.0 
 17 ASP   PSI     150.0     170.0 
 18 PRO   OMEGA   -10.0     10.0
 18 PRO   PSI     -65.0     -45.0 
 19 TRP   PHI     -130.0     -110.0 
 19 TRP   PSI    -115.0      -95.0
 20 LEU   PHI    -130.0     -110.0 
 20 LEU   PSI    140.0      160.0 
 21 CYSS   PHI    -100.0     -80.0 
 21 CYSS   PSI    105.0       125.0 
 22 THR    PHI     -160.0    -140.0 
 22 THR   PSI    145.0     165.0 
 23 PRO   OMEGA  -10.0      10.0 
 24 PRO   OMEGA  160.0      180.0 
 28 PHE   PHI    -130.0     -110.0 
 28 PHE   PSI    115.0      135.0 
 29 CYSS   PHI    -100.0     -80.0 
 29 CYSS   PSI    130.0      150.0 
 30 LEU   PHI    -160.0     -140.0   11 ILE  QD1    13 ASN  H       5.50            #peak     2 #SUP  0.91  #QF  0.91
 25 ILE  H      26 ILE  H       4.48            #peak    10 #SUP  0.98  #QF  0.98
 26 ILE  H      27 GLY  QA      5.42            #peak    11 #SUP  1.00
 14 GLN  HG3    15 CYSS H       4.93            #peak    20 #SUP  1.00
 29 CYSS HB2    30 LEU  H       4.68            #peak    24 #SUP  0.51  #QF  0.51
 29 CYSS HB3    30 LEU  H       4.21            #peak    29 #SUP  1.00
 24 PRO  HB3    25 ILE  H       4.21            #peak    32 #SUP  1.00
  5 TYR  H       6 GLY  HA2     5.35            #peak    35 #SUP  0.99  #QF  0.99
 15 CYSS H      16 CYSS H       5.50            #peak    40 #SUP  1.00
 16 CYSS H      17 ASP  H       3.81            #peak    42 #SUP  0.99  #QF  0.99
  9 ASP  H      10 GLY  H       3.10            #peak    44 #SUP  0.94  #QF  0.94
  8 CYSS H      28 PHE  QD      5.04            #peak    46 #SUP  1.00
 26 ILE  H      27 GLY  H       3.19            #peak    47 #SUP  0.98  #QF  0.98
 19 TRP  HE3    20 LEU  H       4.89            #peak    49 #SUP  0.97  #QF  0.97
 20 LEU  QB     30 LEU  H       5.50            #peak    54 #SUP  0.97  #QF  0.97
 28 PHE  QD     29 CYSS H       4.55            #peak    59 #SUP  1.00
 20 LEU  H      30 LEU  H       4.26            #peak    62 #SUP  0.99  #QF  0.99
  2 ILE  HB     15 CYSS HA      3.59            #peak    67 #SUP  0.67  #QF  0.67
 20 LEU  H      22 THR  HB      5.50            #peak    70 #SUP  0.80  #QF  0.80
 22 THR  HB     30 LEU  H       4.56            #peak    72 #SUP  0.95  #QF  0.95
 24 PRO  HA     25 ILE  H       3.50            #peak    73 #SUP  0.99  #QF  0.99
 21 CYSS H      29 CYSS HB2     4.87            #peak    79 #SUP  0.90  #QF  0.90
 20 LEU  QB     21 CYSS H       5.45            #peak    81 #SUP  1.00
  4 HIS  HA      5 TYR  HE1     5.50            #peak    84 #SUP  1.00
  2 ILE  QG2     6 GLY  HA3     3.65            #peak    85 #SUP  0.98  #QF  0.98
 27 GLY  QA     28 PHE  QD      3.51            #peak    89 #SUP  0.94  #QF  0.94
 27 GLY  QA     28 PHE  HZ      5.50            #peak    92 #SUP  0.93  #QF  0.93
  2 ILE  H      16 CYSS H       5.50            #peak    93 #SUP  0.87  #QF  0.87
 30 LEU  QB     30 LEU  QQD     2.72            #peak    97 #SUP  0.33  #QF  0.33
 25 ILE  QG1    26 ILE  H       5.44            #peak   102 #SUP  1.00
 26 ILE  HB     27 GLY  H       4.66            #peak   104 #SUP  1.00
 26 ILE  QG2    27 GLY  H       4.51            #peak   105 #SUP  1.00
 26 ILE  QD1    27 GLY  H       4.30            #peak   107 #SUP  0.90  #QF  0.90
  7 LYS  HG2    27 GLY  H       4.48            #peak   109 #SUP  0.82  #QF  0.82
 26 ILE  QG1    27 GLY  H       5.50            #peak   110 #SUP  1.00
  7 LYS  QD     26 ILE  QG2     3.21            #peak   111 #SUP  0.46  #QF  0.46
  7 LYS  QD      8 CYSS H       4.74            #peak   123 #SUP  1.00
  7 LYS  HG2     8 CYSS H       3.96            #peak   125 #SUP  1.00
  7 LYS  HG3     8 CYSS H       4.67            #peak   133 #SUP  1.00
  2 ILE  QD1     7 LYS  H       5.32            #peak   138 #SUP  0.91  #QF  0.91
  2 ILE  QG2    29 CYSS H       4.57            #peak   139 #SUP  0.83  #QF  0.83
  2 ILE  QG2     6 GLY  H       4.70            #peak   141 #SUP  0.96  #QF  0.96
 12 ILE  HB     14 GLN  H       4.08            #peak   144 #SUP  0.54  #QF  0.54
 11 ILE  H      25 ILE  QG2     3.70            #peak   145 #SUP  0.98  #QF  0.98
 11 ILE  H      25 ILE  QG1     3.68            #peak   147 #SUP  0.98  #QF  0.98
  4 HIS  HD2     5 TYR  HE2     4.03            #peak   149 #SUP  0.97  #QF  0.97
  4 HIS  HA      4 HIS  HE1     4.79            #peak   161 #SUP  0.97  #QF  0.97
  4 HIS  H       4 HIS  HE1     5.50            #peak   162 #SUP  1.00
  4 HIS  HA      4 HIS  HD2     4.44            #peak   166 #SUP  0.97  #QF  0.97
  4 HIS  H       4 HIS  HD2     5.50            #peak   171 #SUP  1.00
 11 ILE  QG2    12 ILE  H       4.30            #peak   174 #SUP  0.99  #QF  0.99
  2 ILE  HB     16 CYSS H       4.07            #peak   176 #SUP  0.95  #QF  0.95
 10 GLY  H      12 ILE  HB      4.82            #peak   185 #SUP  0.69  #QF  0.69
  9 ASP  QB     10 GLY  H       4.44            #peak   188 #SUP  1.00
  8 CYSS HB2     9 ASP  H       4.04            #peak   194 #SUP  1.00
  8 CYSS HB3     9 ASP  H       4.04            #peak   196 #SUP  1.00
 20 LEU  HG     22 THR  H       4.54            #peak   207 #SUP  0.86  #QF  0.86
  7 LYS  HA     29 CYSS H       4.65            #peak   214 #SUP  0.99  #QF  0.99
  7 LYS  HG3    28 PHE  QD      3.71            #peak   215 #SUP  0.99  #QF  0.99
  7 LYS  HG3    28 PHE  HZ      3.70            #peak   217 #SUP  0.98  #QF  0.98
  7 LYS  HG2    28 PHE  QD      4.26            #peak   219 #SUP  1.00
  7 LYS  HG2    28 PHE  HZ      4.22            #peak   221 #SUP  0.85  #QF  0.85
  7 LYS  QD     28 PHE  QD      4.83            #peak   223 #SUP  1.00
  7 LYS  QD     28 PHE  HZ      4.73            #peak   226 #SUP  0.95  #QF  0.95
  7 LYS  HA     28 PHE  QD      2.95            #peak   231 #SUP  0.96  #QF  0.96
  7 LYS  HA     28 PHE  HZ      5.50            #peak   234 #SUP  0.50  #QF  0.50
 22 THR  H      27 GLY  QA      5.50            #peak   238 #SUP  0.53  #QF  0.53
 22 THR  H      28 PHE  HA      5.42            #peak   243 #SUP  0.98  #QF  0.98
 13 ASN  HB2    14 GLN  H       5.03            #peak   251 #SUP  1.00
 13 ASN  HB3    14 GLN  H       4.59            #peak   253 #SUP  1.00
 19 TRP  HA     19 TRP  HZ3     5.50            #peak   265 #SUP  1.00
 19 TRP  HB3    19 TRP  HZ3     5.50            #peak   271 #SUP  1.00
 19 TRP  H      19 TRP  HE3     5.50            #peak   277 #SUP  1.00
 19 TRP  HA     19 TRP  HE3     3.59            #peak   284 #SUP  0.92  #QF  0.92
 19 TRP  H      19 TRP  HD1     5.28            #peak   302 #SUP  0.99  #QF  0.99
 19 TRP  HA     19 TRP  HD1     5.18            #peak   311 #SUP  1.00
  2 ILE  HA      3 ALA  H       2.89            #peak   314 #SUP  0.65  #QF  0.65
  3 ALA  H       3 ALA  QB      3.37            #peak   315 #SUP  1.00
 17 ASP  H      18 PRO  HA      4.83            #peak   322 #SUP  0.67  #QF  0.67
 26 ILE  HA     26 ILE  QG1     4.22            #peak   330 #SUP  1.00
 14 GLN  HA     14 GLN  HE22    4.24            #peak   336 #SUP  0.94  #QF  0.94
 14 GLN  HA     14 GLN  HE21    3.76            #peak   339 #SUP  0.96  #QF  0.96
 14 GLN  HA     14 GLN  HG2     4.11            #peak   342 #SUP  1.00
 23 PRO  HA     24 PRO  HD3     3.07            #peak   354 #SUP  1.00
 11 ILE  QD1    12 ILE  HA      4.21            #peak   358 #SUP  0.97  #QF  0.20
 12 ILE  HA     12 ILE  QD1     4.45            #peak   358 #SUP  0.97  #QF  0.20
 11 ILE  H      11 ILE  QG2     3.30            #peak   368 #SUP  0.99  #QF  0.99
 11 ILE  H      11 ILE  QG1     2.64            #peak   369 #SUP  0.87  #QF  0.87
 11 ILE  H      11 ILE  QD1     4.06            #peak   371 #SUP  1.00
 11 ILE  H      11 ILE  HB      3.76            #peak   372 #SUP  1.00
  9 ASP  H       9 ASP  QB      3.74            #peak   375 #SUP  1.00
 19 TRP  H      19 TRP  HB3     3.78            #peak   383 #SUP  0.96  #QF  0.96
 18 PRO  QD     19 TRP  H       4.73            #peak   384 #SUP  0.67  #QF  0.45
 14 GLN  H      14 GLN  HE22    5.50            #peak   429 #SUP  0.80  #QF  0.80
 14 GLN  H      14 GLN  HB2     4.10            #peak   431 #SUP  1.00
 14 GLN  H      14 GLN  HG3     4.58            #peak   433 #SUP  1.00
 14 GLN  H      14 GLN  HG2     4.80            #peak   434 #SUP  1.00
 12 ILE  H      12 ILE  QG1     5.15            #peak   445 #SUP  1.00
 11 ILE  QD1    12 ILE  H       4.63            #peak   446 #SUP  0.97  #QF  0.30
 12 ILE  H      12 ILE  QD1     4.96            #peak   446 #SUP  0.97  #QF  0.30
 17 ASP  H      17 ASP  QB      3.20            #peak   457 #SUP  0.80  #QF  0.80
  8 CYSS H      28 PHE  HA      4.06            #peak   478 #SUP  0.98  #QF  0.98
  7 LYS  HA      8 CYSS H       2.57            #peak   480 #SUP  0.86  #QF  0.86
 30 LEU  HA     30 LEU  QQD     3.85            #peak   485 #SUP  1.00
 19 TRP  HB2    19 TRP  HE1     5.03            #peak   494 #SUP  0.95  #QF  0.95
 19 TRP  HA     19 TRP  HE1     5.50            #peak   496 #SUP  1.00
 26 ILE  H      26 ILE  QG1     4.34            #peak   497 #SUP  1.00
 26 ILE  H      26 ILE  HB      4.10            #peak   500 #SUP  1.00
 26 ILE  H      26 ILE  QD1     3.38            #peak   501 #SUP  0.86  #QF  0.86
 26 ILE  H      26 ILE  QG2     4.07            #peak   502 #SUP  1.00
  2 ILE  HA      2 ILE  QD1     3.23            #peak   506 #SUP  0.98  #QF  0.98
  2 ILE  QG2     2 ILE  QD1     2.70            #peak   510 #SUP  0.94  #QF  0.94
  7 LYS  HA      7 LYS  QD      3.96            #peak   518 #SUP  1.00
  7 LYS  HG2     7 LYS  QD      2.48            #peak   519 #SUP  0.97  #QF  0.97
  5 TYR  H       5 TYR  HA      2.88            #peak   539 #SUP  0.98  #QF  0.98
  5 TYR  HA      5 TYR  HB3     2.40            #peak   541 #SUP  0.71  #QF  0.71
  5 TYR  HA      6 GLY  H       3.00            #peak   542 #SUP  0.95  #QF  0.95
 26 ILE  HB     26 ILE  QG1     2.99            #peak   543 #SUP  1.00
 23 PRO  HA     24 PRO  HD2     3.07            #peak   557 #SUP  1.00
 30 LEU  H      30 LEU  QQD     4.42            #peak   562 #SUP  1.00
 30 LEU  H      30 LEU  HG      3.97            #peak   564 #SUP  0.99  #QF  0.99
 30 LEU  H      30 LEU  QB      3.70            #peak   566 #SUP  1.00
 13 ASN  HA     13 ASN  HB3     2.94            #peak   579 #SUP  0.99  #QF  0.99
 13 ASN  H      13 ASN  HB3     3.69            #peak   580 #SUP  1.00
 28 PHE  H      28 PHE  HB3     4.07            #peak   601 #SUP  1.00
 28 PHE  HA     28 PHE  QD      3.30            #peak   607 #SUP  0.98  #QF  0.98
  7 LYS  H      28 PHE  QD      3.56            #peak   608 #SUP  0.94  #QF  0.94
 11 ILE  HA     11 ILE  QD1     4.11            #peak   615 #SUP  1.00
 22 THR  H      22 THR  HB      2.83            #peak   617 #SUP  0.58  #QF  0.58
 22 THR  H      30 LEU  H       3.79            #peak   619 #SUP  1.00
 22 THR  H      30 LEU  QQD     4.31            #peak   621 #SUP  0.82  #QF  0.82
 22 THR  H      22 THR  HG1     3.86            #peak   623 #SUP  0.90  #QF  0.90
 14 GLN  H      14 GLN  HE21    5.50            #peak   632 #SUP  1.00
 14 GLN  HB2    14 GLN  HE21    4.72            #peak   633 #SUP  1.00
 14 GLN  HG3    14 GLN  HE21    3.33            #peak   635 #SUP  0.81  #QF  0.81
 14 GLN  HB3    14 GLN  HE21    4.72            #peak   637 #SUP  1.00
  5 TYR  H       5 TYR  HE2     5.50            #peak   641 #SUP  1.00
 23 PRO  HB3    24 PRO  HD3     3.77            #peak   651 #SUP  1.00
 23 PRO  HB3    24 PRO  HD2     3.77            #peak   653 #SUP  1.00
  7 LYS  HA     28 PHE  HA      3.46            #peak   669 #SUP  0.97  #QF  0.97
 17 ASP  QB     18 PRO  HA      4.25            #peak   678 #SUP  1.00
  8 CYSS HA      9 ASP  H       3.17            #peak   682 #SUP  0.92  #QF  0.92
  9 ASP  H       9 ASP  HA      2.91            #peak   683 #SUP  0.97  #QF  0.97
 11 ILE  HB     11 ILE  QD1     2.49            #peak   689 #SUP  0.49  #QF  0.21
 12 ILE  HB     12 ILE  QD1     2.82            #peak   689 #SUP  0.49  #QF  0.21
 14 GLN  HA     14 GLN  HG3     3.33            #peak   690 #SUP  0.99  #QF  0.99
 21 CYSS HA     29 CYSS HB3     4.52            #peak   707 #SUP  1.00
 29 CYSS H      29 CYSS HB3     3.29            #peak   712 #SUP  0.99  #QF  0.99
  2 ILE  HB      2 ILE  QD1     3.24            #peak   713 #SUP  1.00
 16 CYSS H      16 CYSS HB3     3.79            #peak   731 #SUP  1.00
 16 CYSS H      16 CYSS HB2     3.79            #peak   733 #SUP  0.92  #QF  0.92
  2 ILE  HG12    3 ALA  H       4.85            #peak   746 #SUP  0.85  #QF  0.85
 20 LEU  HA     21 CYSS H       3.42            #peak   761 #SUP  0.88  #QF  0.88
  7 LYS  H       7 LYS  HE3     5.50            #peak   762 #SUP  1.00
  7 LYS  H       7 LYS  QD      4.86            #peak   763 #SUP  1.00
  7 LYS  H       7 LYS  HE2     5.50            #peak   764 #SUP  1.00
  6 GLY  HA2     7 LYS  H       2.56            #peak   767 #SUP  0.77  #QF  0.77
  6 GLY  HA3     7 LYS  H       2.92            #peak   772 #SUP  0.92  #QF  0.92
  7 LYS  H       7 LYS  HG2     3.92            #peak   773 #SUP  1.00
 13 ASN  H      13 ASN  HB2     3.50            #peak   787 #SUP  1.00
 13 ASN  HB2    13 ASN  HD22    4.00            #peak   806 #SUP  1.00
 13 ASN  HA     13 ASN  HD22    4.28            #peak   808 #SUP  0.85  #QF  0.85
 13 ASN  H      13 ASN  HD22    3.87            #peak   809 #SUP  1.00
  7 LYS  QZ     11 ILE  H       5.50            #peak   815 #SUP  0.39  #QF  0.39
  7 LYS  HG3     7 LYS  QZ      5.32            #peak   817 #SUP  1.00
 11 ILE  HA     11 ILE  QG2     4.09            #peak   821 #SUP  1.00
 11 ILE  QG2    11 ILE  QD1     2.95            #peak   824 #SUP  1.00
  5 TYR  HE1    18 PRO  HA      4.98            #peak   826 #SUP  0.67  #QF  0.67
  5 TYR  HA      5 TYR  HE1     5.50            #peak   828 #SUP  1.00
  5 TYR  H       5 TYR  HE1     4.58            #peak   830 #SUP  0.99  #QF  0.99
 26 ILE  HA     26 ILE  QD1     2.70            #peak   835 #SUP  0.81  #QF  0.81
 26 ILE  HB     26 ILE  QD1     3.30            #peak   837 #SUP  1.00
 23 PRO  HB2    24 PRO  HD3     3.77            #peak   840 #SUP  1.00
 23 PRO  HB2    24 PRO  HD2     3.77            #peak   842 #SUP  1.00
 12 ILE  H      12 ILE  HB      3.45            #peak   849 #SUP  0.97  #QF  0.97
 12 ILE  HB     12 ILE  QG1     2.59            #peak   850 #SUP  1.00
 29 CYSS H      29 CYSS HB2     3.72            #peak   879 #SUP  1.00
 25 ILE  H      25 ILE  QG1     3.62            #peak   880 #SUP  0.99  #QF  0.99
 24 PRO  QG     25 ILE  H       3.96            #peak   881 #SUP  1.00  #QF  0.82
 25 ILE  H      25 ILE  QG2     3.94            #peak   885 #SUP  1.00
  8 CYSS H       8 CYSS HB3     3.92            #peak   887 #SUP  0.96  #QF  0.96
  7 LYS  HG3     7 LYS  QD      2.68            #peak   892 #SUP  1.00
  7 LYS  H       7 LYS  HG3     4.34            #peak   895 #SUP  1.00
  2 ILE  H       2 ILE  HG13    4.56            #peak   907 #SUP  1.00
  2 ILE  QG2     2 ILE  HG13    2.51            #peak   909 #SUP  0.86  #QF  0.86
  7 LYS  HA      7 LYS  QZ      5.50            #peak   917 #SUP  1.00
 28 PHE  H      28 PHE  QD      3.68            #peak   924 #SUP  1.00
 27 GLY  QA     28 PHE  H       2.71            #peak   927 #SUP  0.85  #QF  0.85
  7 LYS  HA     28 PHE  H       5.37            #peak   928 #SUP  1.00
 28 PHE  H      28 PHE  HB2     4.07            #peak   930 #SUP  1.00
 25 ILE  QG2    25 ILE  QG1     2.77            #peak   933 #SUP  1.00
 25 ILE  HB     25 ILE  QD1     3.02            #peak   940 #SUP  0.96  #QF  0.96
 25 ILE  HA     25 ILE  QD1     4.19            #peak   941 #SUP  1.00
 25 ILE  H      25 ILE  QD1     3.94            #peak   942 #SUP  0.99  #QF  0.99
 25 ILE  QG2    25 ILE  QD1     2.85            #peak   944 #SUP  0.86  #QF  0.45
  2 ILE  H       2 ILE  QD1     3.86            #peak   956 #SUP  1.00
  2 ILE  H       2 ILE  HB      3.41            #peak   957 #SUP  0.98  #QF  0.98
  2 ILE  H       2 ILE  HG12    3.37            #peak   963 #SUP  0.96  #QF  0.96
  2 ILE  H       2 ILE  QG2     4.30            #peak   964 #SUP  1.00
 13 ASN  H      13 ASN  HA      2.92            #peak   974 #SUP  1.00
 30 LEU  HA     30 LEU  HG      3.94            #peak   981 #SUP  0.94  #QF  0.94
 26 ILE  HA     27 GLY  H       2.65            #peak   998 #SUP  0.68  #QF  0.68
  8 CYSS H      27 GLY  H       3.83            #peak   999 #SUP  0.81  #QF  0.81
 27 GLY  H      27 GLY  QA      2.89            #peak  1000 #SUP  1.00
 11 ILE  HB     11 ILE  QG1     2.92            #peak  1007 #SUP  1.00
 20 LEU  H      29 CYSS HB2     4.42            #peak  1009 #SUP  0.50  #QF  0.50
 20 LEU  H      20 LEU  QB      3.22            #peak  1013 #SUP  1.00
 20 LEU  H      20 LEU  HG      3.90            #peak  1014 #SUP  0.86  #QF  0.86
 24 PRO  HB2    25 ILE  H       3.38            #peak  1032 #SUP  0.85  #QF  0.56
  5 TYR  HE1    18 PRO  QD      3.29            #peak  1033 #SUP  0.66  #QF  0.66
 26 ILE  QG2    26 ILE  QG1     2.40            #peak  1035 #SUP  0.91  #QF  0.91
 26 ILE  HA     26 ILE  QG2     3.51            #peak  1036 #SUP  1.00
 26 ILE  QG2    26 ILE  QD1     2.50            #peak  1039 #SUP  0.94  #QF  0.94
 13 ASN  H      14 GLN  HA      4.99            #peak  1041 #SUP  1.00
 13 ASN  H      14 GLN  H       3.45            #peak  1043 #SUP  0.95  #QF  0.95
  4 HIS  H       4 HIS  HB3     3.92            #peak  1051 #SUP  0.97  #QF  0.97
  4 HIS  H       4 HIS  HB2     3.92            #peak  1054 #SUP  0.99  #QF  0.99
  3 ALA  HA      4 HIS  H       2.72            #peak  1060 #SUP  0.45  #QF  0.45
 14 GLN  H      14 GLN  HB3     4.10            #peak  1063 #SUP  0.99  #QF  0.99
 29 CYSS HA     30 LEU  H       2.74            #peak  1095 #SUP  0.69  #QF  0.69
 29 CYSS HA     29 CYSS HB3     3.01            #peak  1096 #SUP  1.00
 29 CYSS HA     29 CYSS HB2     2.55            #peak  1097 #SUP  0.83  #QF  0.83
  8 CYSS H       8 CYSS HB2     3.92            #peak  1108 #SUP  1.00
  7 LYS  HG2     7 LYS  QZ      5.50            #peak  1117 #SUP  1.00
  7 LYS  QZ     26 ILE  QG1     5.50            #peak  1117 #SUP  1.00
  2 ILE  HA      2 ILE  HG12    4.15            #peak  1128 #SUP  1.00
 24 PRO  HB2    25 ILE  QG1     3.41            #peak  1142 #SUP  1.00
 20 LEU  HA     20 LEU  HG      3.83            #peak  1161 #SUP  1.00
 20 LEU  QB     20 LEU  HG      2.55            #peak  1163 #SUP  1.00
 28 PHE  HA     29 CYSS H       2.91            #peak  1166 #SUP  0.84  #QF  0.84
 13 ASN  HB2    13 ASN  HD21    2.88            #peak  1193 #SUP  0.93  #QF  0.93
 13 ASN  HA     13 ASN  HD21    3.30            #peak  1195 #SUP  0.85  #QF  0.85
 13 ASN  H      13 ASN  HD21    3.74            #peak  1196 #SUP  1.00
  2 ILE  HA      2 ILE  QG2     3.48            #peak  1200 #SUP  1.00
  2 ILE  QG2     2 ILE  HG12    3.25            #peak  1203 #SUP  1.00
  4 HIS  H       4 HIS  QB      3.36            #peak  1051
  4 HIS  QB      4 HIS  HE1     4.68            #peak   155
  7 LYS  H       7 LYS  QB      2.96            #peak   766
  7 LYS  HA      7 LYS  QE      4.52            #peak   398
  7 LYS  QB      7 LYS  QD      3.45            #peak   722
  7 LYS  QB      7 LYS  QE      4.76            #peak   721
  7 LYS  QB      7 LYS  QZ      5.34            #peak   814
  7 LYS  QB      8 CYSS H       4.18            #peak   131
  7 LYS  QB     28 PHE  QD      4.25            #peak   227
  7 LYS  QB     28 PHE  HZ      5.18            #peak   230
  7 LYS  HG3     7 LYS  QE      3.62            #peak   592
  7 LYS  QE      8 CYSS H       3.66            #peak   129
  8 CYSS H       8 CYSS QB      3.15            #peak   887
  8 CYSS QB      9 ASP  H       3.44            #peak   196
 13 ASN  HA     21 CYSS QB      3.68            #peak     3
 14 GLN  H      14 GLN  QB      3.34            #peak  1063
 14 GLN  H      21 CYSS QB      5.24            #peak   710
 14 GLN  QB     14 GLN  HG3     2.60            #peak  1066
 14 GLN  QB     14 GLN  HE21    4.11            #peak   637
 15 CYSS H      21 CYSS QB      5.34            #peak   182
 16 CYSS H      16 CYSS QB      3.16            #peak   733
 16 CYSS QB     17 ASP  H       4.09            #peak   201
 20 LEU  H      20 LEU  QQD     4.64            #peak  1008
 20 LEU  HA     20 LEU  QQD     4.05            #peak   992
 20 LEU  QQD    30 LEU  H       4.92            #peak    55
 21 CYSS H      21 CYSS QB      2.89            #peak   757
 23 PRO  HA     24 PRO  QD      2.58            #peak   557
 23 PRO  QB     24 PRO  HA      5.13            #peak  1156
 23 PRO  QB     24 PRO  QD      2.88            #peak   840
 24 PRO  QD     25 ILE  H       3.56            #peak     8
 28 PHE  H      28 PHE  QB      3.52            #peak   601
 28 PHE  QB     29 CYSS H       4.00            #peak  1165

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   CYS   1           H        CYS   1   2.089   0.348   0.506
    2    HA   CYS   1           HA       CYS   1   2.312   1.799  -1.642
    3    HB2  CYS   1           2HB      CYS   1   3.859   0.032  -2.684
    4    HB3  CYS   1           3HB      CYS   1   4.240   0.586  -1.058
    5    H    ILE   2           H        ILE   2  -0.107   1.628  -2.237
    6    HA   ILE   2           HA       ILE   2  -1.641   1.270  -3.879
    7    HB   ILE   2           HB       ILE   2   0.739   0.123  -5.340
    8   HG12  ILE   2          2HG1      ILE   2   0.839   2.543  -4.772
    9   HG13  ILE   2          3HG1      ILE   2   0.780   2.248  -6.506
   10   HG21  ILE   2          1HG2      ILE   2  -0.775   0.598  -7.367
   11   HG22  ILE   2          2HG2      ILE   2  -1.069  -0.862  -6.424
   12   HG23  ILE   2          3HG2      ILE   2  -2.098   0.552  -6.202
   13   HD11  ILE   2          3HD1      ILE   2  -1.634   2.745  -6.469
   14   HD12  ILE   2          1HD1      ILE   2  -1.498   3.135  -4.755
   15   HD13  ILE   2          2HD1      ILE   2  -0.636   4.104  -5.951
   16    H    ALA   3           H        ALA   3  -3.216  -0.202  -4.001
   17    HA   ALA   3           HA       ALA   3  -2.918  -2.757  -2.818
   18    HB1  ALA   3           1HB      ALA   3  -5.213  -1.979  -4.590
   19    HB2  ALA   3           2HB      ALA   3  -5.211  -3.053  -3.190
   20    HB3  ALA   3           3HB      ALA   3  -5.022  -1.313  -2.968
   21    H    HIS   4           H        HIS   4  -3.415  -4.826  -3.856
   22    HA   HIS   4           HA       HIS   4  -1.728  -5.397  -5.992
   23    HB2  HIS   4           2HB      HIS   4  -4.010  -6.873  -4.721
   24    HB3  HIS   4           3HB      HIS   4  -3.227  -7.528  -6.156
   25    HD1  HIS   4           HD1      HIS   4  -1.362  -5.780  -3.387
   26    HD2  HIS   4           HD2      HIS   4  -1.936  -9.610  -4.891
   27    HE1  HIS   4           HE1      HIS   4   0.305  -7.230  -2.186
   28    H    TYR   5           H        TYR   5  -1.877  -4.945  -8.079
   29    HA   TYR   5           HA       TYR   5  -2.709  -4.364 -10.115
   30    HB2  TYR   5           2HB      TYR   5  -5.292  -5.744  -9.573
   31    HB3  TYR   5           3HB      TYR   5  -4.265  -5.803 -11.001
   32    HD1  TYR   5           HD1      TYR   5  -1.899  -6.954 -10.574
   33    HD2  TYR   5           HD2      TYR   5  -5.394  -7.625  -8.243
   34    HE1  TYR   5           HE1      TYR   5  -0.981  -9.111  -9.829
   35    HE2  TYR   5           HE2      TYR   5  -4.485  -9.783  -7.490
   36    HH   TYR   5           HH       TYR   5  -1.230 -10.824  -8.401
   37    H    GLY   6           H        GLY   6  -3.278  -2.643  -7.811
   38    HA2  GLY   6           2HA      GLY   6  -5.884  -1.497  -8.536
   39    HA3  GLY   6           3HA      GLY   6  -4.972  -1.132  -7.078
   40    H    LYS   7           H        LYS   7  -6.140   0.692  -9.043
   41    HA   LYS   7           HA       LYS   7  -4.343   1.801 -10.820
   42    HB2  LYS   7           2HB      LYS   7  -6.797   2.602  -9.542
   43    HB3  LYS   7           3HB      LYS   7  -5.699   3.971  -9.641
   44    HG2  LYS   7           2HG      LYS   7  -5.672   2.592 -12.134
   45    HG3  LYS   7           3HG      LYS   7  -7.345   2.897 -11.661
   46    HD2  LYS   7           2HD      LYS   7  -6.461   4.749 -12.979
   47    HD3  LYS   7           3HD      LYS   7  -6.816   5.266 -11.329
   48    HE2  LYS   7           2HE      LYS   7  -4.433   4.999 -10.763
   49    HE3  LYS   7           3HE      LYS   7  -4.102   4.550 -12.435
   50    HZ1  LYS   7           3HZ      LYS   7  -5.120   6.780 -13.021
   51    HZ2  LYS   7           1HZ      LYS   7  -3.592   6.810 -12.294
   52    HZ3  LYS   7           2HZ      LYS   7  -4.970   7.173 -11.382
   53    H    CYS   8           H        CYS   8  -2.938   3.626 -10.692
   54    HA   CYS   8           HA       CYS   8  -1.758   3.991  -8.016
   55    HB2  CYS   8           2HB      CYS   8  -0.303   4.375 -10.630
   56    HB3  CYS   8           3HB      CYS   8   0.386   4.228  -9.016
   57    H    ASP   9           H        ASP   9  -0.622   6.100  -7.726
   58    HA   ASP   9           HA       ASP   9  -2.375   8.241  -8.108
   59    HB2  ASP   9           2HB      ASP   9   0.494   8.024  -7.270
   60    HB3  ASP   9           3HB      ASP   9  -0.205   9.613  -7.567
   61    H    GLY  10           H        GLY  10  -0.104   6.848 -10.243
   62    HA2  GLY  10           2HA      GLY  10  -0.368   7.481 -12.600
   63    HA3  GLY  10           3HA      GLY  10  -0.424   9.153 -12.064
   64    H    ILE  11           H        ILE  11   1.480  10.225 -11.541
   65    HA   ILE  11           HA       ILE  11   3.775   9.464 -12.967
   66    HB   ILE  11           HB       ILE  11   4.912  11.314 -11.849
   67   HG12  ILE  11          2HG1      ILE  11   2.735  12.372 -10.308
   68   HG13  ILE  11          3HG1      ILE  11   3.088  10.737  -9.759
   69   HG21  ILE  11          1HG2      ILE  11   3.763  12.933 -12.953
   70   HG22  ILE  11          2HG2      ILE  11   2.932  11.525 -13.612
   71   HG23  ILE  11          3HG2      ILE  11   2.207  12.437 -12.288
   72   HD11  ILE  11          3HD1      ILE  11   5.220  12.822 -10.082
   73   HD12  ILE  11          1HD1      ILE  11   4.300  12.617  -8.591
   74   HD13  ILE  11          2HD1      ILE  11   5.300  11.297  -9.199
   75    H    ILE  12           H        ILE  12   2.643   8.505  -9.901
   76    HA   ILE  12           HA       ILE  12   5.304   7.653  -9.020
   77    HB   ILE  12           HB       ILE  12   2.668   7.616  -7.545
   78   HG12  ILE  12          2HG1      ILE  12   5.012   9.289  -6.753
   79   HG13  ILE  12          3HG1      ILE  12   4.019   9.828  -8.103
   80   HG21  ILE  12          1HG2      ILE  12   4.672   7.386  -5.682
   81   HG22  ILE  12          2HG2      ILE  12   3.661   6.069  -6.276
   82   HG23  ILE  12          3HG2      ILE  12   5.242   6.363  -7.000
   83   HD11  ILE  12          3HD1      ILE  12   3.571  10.292  -5.413
   84   HD12  ILE  12          1HD1      ILE  12   2.440  10.567  -6.738
   85   HD13  ILE  12          2HD1      ILE  12   2.400   9.046  -5.846
   86    H    ASN  13           H        ASN  13   5.844   5.801 -10.029
   87    HA   ASN  13           HA       ASN  13   3.862   3.693 -10.369
   88    HB2  ASN  13           2HB      ASN  13   6.737   3.906 -11.288
   89    HB3  ASN  13           3HB      ASN  13   5.675   2.545 -11.639
   90   HD21  ASN  13          1HD2      ASN  13   5.693   6.086 -11.867
   91   HD22  ASN  13          2HD2      ASN  13   4.949   6.159 -13.424
   92    H    GLN  14           H        GLN  14   4.760   4.393  -7.699
   93    HA   GLN  14           HA       GLN  14   6.564   2.321  -6.836
   94    HB2  GLN  14           2HB      GLN  14   6.140   4.692  -5.804
   95    HB3  GLN  14           3HB      GLN  14   4.828   3.881  -4.959
   96    HG2  GLN  14           2HG      GLN  14   6.487   3.640  -3.427
   97    HG3  GLN  14           3HG      GLN  14   6.724   2.162  -4.357
   98   HE21  GLN  14          1HE2      GLN  14   8.365   2.209  -6.038
   99   HE22  GLN  14          2HE2      GLN  14   9.766   3.196  -5.817
  100    H    CYS  15           H        CYS  15   5.124   0.650  -7.888
  101    HA   CYS  15           HA       CYS  15   2.955  -0.163  -6.070
  102    HB2  CYS  15           2HB      CYS  15   2.449   0.260  -8.539
  103    HB3  CYS  15           3HB      CYS  15   3.384  -1.194  -8.871
  104    H    CYS  16           H        CYS  16   3.839  -1.474  -4.582
  105    HA   CYS  16           HA       CYS  16   6.073  -3.040  -4.729
  106    HB2  CYS  16           2HB      CYS  16   3.503  -3.476  -3.212
  107    HB3  CYS  16           3HB      CYS  16   4.907  -4.518  -3.003
  108    H    ASP  17           H        ASP  17   2.848  -4.536  -4.893
  109    HA   ASP  17           HA       ASP  17   3.934  -6.428  -6.875
  110    HB2  ASP  17           2HB      ASP  17   2.335  -6.829  -4.432
  111    HB3  ASP  17           3HB      ASP  17   1.774  -7.730  -5.838
  112    HA   PRO  18           HA       PRO  18   2.538  -8.403  -7.590
  113    HB2  PRO  18           2HB      PRO  18   2.499  -9.035 -10.230
  114    HB3  PRO  18           3HB      PRO  18   1.093  -9.224  -9.176
  115    HG2  PRO  18           2HG      PRO  18   1.739  -7.020 -11.096
  116    HG3  PRO  18           3HG      PRO  18   0.191  -7.837 -10.810
  117    HD2  PRO  18           2HD      PRO  18   0.772  -5.409  -9.762
  118    HD3  PRO  18           3HD      PRO  18  -0.267  -6.585  -8.931
  119    H    TRP  19           H        TRP  19   3.329  -6.238 -10.317
  120    HA   TRP  19           HA       TRP  19   6.178  -6.678  -9.716
  121    HB2  TRP  19           2HB      TRP  19   4.779  -6.716 -12.379
  122    HB3  TRP  19           3HB      TRP  19   6.495  -6.334 -12.259
  123    HD1  TRP  19           HD1      TRP  19   4.188  -9.208 -12.563
  124    HE1  TRP  19           HE1      TRP  19   5.456 -11.422 -12.225
  125    HE3  TRP  19           HE3      TRP  19   8.561  -7.357 -10.669
  126    HZ2  TRP  19           HZ2      TRP  19   7.976 -12.272 -11.279
  127    HZ3  TRP  19           HZ3      TRP  19  10.350  -8.938 -10.072
  128    HH2  TRP  19           HH2      TRP  19  10.062 -11.344 -10.371
  129    H    LEU  20           H        LEU  20   5.003  -4.703 -12.338
  130    HA   LEU  20           HA       LEU  20   5.683  -2.288 -10.795
  131    HB2  LEU  20           2HB      LEU  20   6.878  -1.386 -12.550
  132    HB3  LEU  20           3HB      LEU  20   7.330  -3.088 -12.613
  133    HG   LEU  20           HG       LEU  20   5.271  -1.785 -14.393
  134   HD11  LEU  20          1HD1      LEU  20   7.068  -2.222 -16.141
  135   HD12  LEU  20          2HD1      LEU  20   8.187  -2.381 -14.788
  136   HD13  LEU  20          3HD1      LEU  20   7.326  -0.864 -15.046
  137   HD21  LEU  20          3HD2      LEU  20   6.298  -4.559 -14.064
  138   HD22  LEU  20          1HD2      LEU  20   5.893  -3.991 -15.684
  139   HD23  LEU  20          2HD2      LEU  20   4.665  -3.991 -14.417
  140    H    CYS  21           H        CYS  21   4.699  -0.288 -11.659
  141    HA   CYS  21           HA       CYS  21   1.933  -0.811 -12.428
  142    HB2  CYS  21           2HB      CYS  21   2.550   0.680 -10.473
  143    HB3  CYS  21           3HB      CYS  21   3.156   1.839 -11.652
  144    H    THR  22           H        THR  22   1.704  -1.021 -14.573
  145    HA   THR  22           HA       THR  22   2.563   1.223 -16.251
  146    HB   THR  22           HB       THR  22   3.203  -1.675 -16.732
  147    HG1  THR  22           HG1      THR  22   4.640   0.192 -15.841
  148   HG21  THR  22          3HG2      THR  22   3.843  -0.986 -19.056
  149   HG22  THR  22          1HG2      THR  22   2.967   0.520 -18.788
  150   HG23  THR  22          2HG2      THR  22   2.106  -1.019 -18.757
  151    HA   PRO  23           HA       PRO  23   2.219   2.166 -18.045
  152    HB2  PRO  23           2HB      PRO  23   0.484   4.214 -18.452
  153    HB3  PRO  23           3HB      PRO  23   0.846   3.002 -19.686
  154    HG2  PRO  23           2HG      PRO  23  -1.494   3.170 -17.827
  155    HG3  PRO  23           3HG      PRO  23  -1.463   2.767 -19.553
  156    HD2  PRO  23           2HD      PRO  23  -1.649   0.880 -17.620
  157    HD3  PRO  23           3HD      PRO  23  -0.819   0.589 -19.162
  158    HA   PRO  24           HA       PRO  24   2.594   4.376 -14.262
  159    HB2  PRO  24           2HB      PRO  24   3.401   6.846 -15.048
  160    HB3  PRO  24           3HB      PRO  24   4.444   5.421 -15.136
  161    HG2  PRO  24           2HG      PRO  24   2.843   6.732 -17.299
  162    HG3  PRO  24           3HG      PRO  24   4.499   6.101 -17.359
  163    HD2  PRO  24           2HD      PRO  24   2.380   4.729 -18.339
  164    HD3  PRO  24           3HD      PRO  24   3.793   3.923 -17.628
  165    H    ILE  25           H        ILE  25   1.120   6.585 -16.653
  166    HA   ILE  25           HA       ILE  25  -0.613   7.652 -14.553
  167    HB   ILE  25           HB       ILE  25  -0.625   8.669 -17.367
  168   HG12  ILE  25          2HG1      ILE  25   1.456   9.313 -15.266
  169   HG13  ILE  25          3HG1      ILE  25   1.743   8.503 -16.802
  170   HG21  ILE  25          1HG2      ILE  25  -0.766  10.231 -14.810
  171   HG22  ILE  25          2HG2      ILE  25  -1.350  10.676 -16.412
  172   HG23  ILE  25          3HG2      ILE  25  -2.184   9.429 -15.485
  173   HD11  ILE  25          3HD1      ILE  25   2.346  10.562 -17.452
  174   HD12  ILE  25          1HD1      ILE  25   0.610  10.775 -17.677
  175   HD13  ILE  25          2HD1      ILE  25   1.386  11.356 -16.203
  176    H    ILE  26           H        ILE  26  -2.584   6.859 -14.296
  177    HA   ILE  26           HA       ILE  26  -4.636   5.967 -14.718
  178    HB   ILE  26           HB       ILE  26  -4.131   6.492 -17.643
  179   HG12  ILE  26          2HG1      ILE  26  -3.690   8.549 -16.420
  180   HG13  ILE  26          3HG1      ILE  26  -5.225   8.682 -17.270
  181   HG21  ILE  26          1HG2      ILE  26  -6.787   6.983 -16.992
  182   HG22  ILE  26          2HG2      ILE  26  -6.148   5.577 -17.841
  183   HG23  ILE  26          3HG2      ILE  26  -6.367   5.526 -16.092
  184   HD11  ILE  26          3HD1      ILE  26  -6.299   7.984 -15.065
  185   HD12  ILE  26          1HD1      ILE  26  -4.732   8.339 -14.339
  186   HD13  ILE  26          2HD1      ILE  26  -5.625   9.610 -15.174
  187    H    GLY  27           H        GLY  27  -3.191   4.018 -14.127
  188    HA2  GLY  27           2HA      GLY  27  -3.916   1.884 -15.919
  189    HA3  GLY  27           3HA      GLY  27  -2.182   2.159 -15.842
  190    H    PHE  28           H        PHE  28  -2.744  -0.238 -15.109
  191    HA   PHE  28           HA       PHE  28  -2.662  -0.188 -12.169
  192    HB2  PHE  28           2HB      PHE  28  -3.914  -2.472 -13.672
  193    HB3  PHE  28           3HB      PHE  28  -4.086  -2.046 -11.972
  194    HD1  PHE  28           HD1      PHE  28  -5.108  -1.204 -15.398
  195    HD2  PHE  28           HD2      PHE  28  -5.700  -0.447 -11.252
  196    HE1  PHE  28           HE1      PHE  28  -7.180   0.016 -15.921
  197    HE2  PHE  28           HE2      PHE  28  -7.774   0.773 -11.768
  198    HZ   PHE  28           HZ       PHE  28  -8.516   1.006 -14.104
  199    H    CYS  29           H        CYS  29  -1.177  -1.508 -11.208
  200    HA   CYS  29           HA       CYS  29   0.974  -2.450 -12.842
  201    HB2  CYS  29           2HB      CYS  29   1.946  -3.200 -10.659
  202    HB3  CYS  29           3HB      CYS  29   1.502  -1.497 -10.698
  203    H    LEU  30           H        LEU  30   1.318  -4.426 -13.628
  204    HA   LEU  30           HA       LEU  30  -0.071  -6.712 -12.434
  205    HB2  LEU  30           2HB      LEU  30  -0.206  -5.826 -15.295
  206    HB3  LEU  30           3HB      LEU  30  -0.442  -7.514 -14.849
  207    HG   LEU  30           HG       LEU  30  -2.195  -6.218 -13.186
  208   HD11  LEU  30          1HD1      LEU  30  -3.093  -4.965 -15.613
  209   HD12  LEU  30          2HD1      LEU  30  -1.521  -4.329 -15.131
  210   HD13  LEU  30          3HD1      LEU  30  -2.877  -4.273 -14.005
  211   HD21  LEU  30          3HD2      LEU  30  -2.397  -7.674 -15.770
  212   HD22  LEU  30          1HD2      LEU  30  -3.844  -6.889 -15.136
  213   HD23  LEU  30          2HD2      LEU  30  -3.009  -8.108 -14.174
  Start of MODEL    2
    1    H1   CYS   1           H        CYS   1   1.807   0.001   0.856
    2    HA   CYS   1           HA       CYS   1   2.505   0.988  -1.378
    3    HB2  CYS   1           2HB      CYS   1   3.498  -1.165  -0.119
    4    HB3  CYS   1           3HB      CYS   1   2.918  -1.946  -1.587
    5    H    ILE   2           H        ILE   2  -0.126   1.052  -1.855
    6    HA   ILE   2           HA       ILE   2  -1.661   0.882  -3.527
    7    HB   ILE   2           HB       ILE   2   0.660  -0.303  -5.051
    8   HG12  ILE   2          2HG1      ILE   2   0.861   2.079  -4.282
    9   HG13  ILE   2          3HG1      ILE   2   0.901   1.878  -6.030
   10   HG21  ILE   2          1HG2      ILE   2  -2.148   0.321  -5.862
   11   HG22  ILE   2          2HG2      ILE   2  -0.836   0.460  -7.031
   12   HG23  ILE   2          3HG2      ILE   2  -1.157  -1.086  -6.247
   13   HD11  ILE   2          3HD1      ILE   2  -0.631   3.675  -4.694
   14   HD12  ILE   2          1HD1      ILE   2  -0.954   3.082  -6.324
   15   HD13  ILE   2          2HD1      ILE   2  -1.768   2.350  -4.941
   16    H    ALA   3           H        ALA   3  -3.310  -0.494  -3.745
   17    HA   ALA   3           HA       ALA   3  -3.154  -3.133  -2.732
   18    HB1  ALA   3           1HB      ALA   3  -5.510  -3.195  -3.965
   19    HB2  ALA   3           2HB      ALA   3  -5.261  -2.337  -2.444
   20    HB3  ALA   3           3HB      ALA   3  -5.255  -1.449  -3.968
   21    H    HIS   4           H        HIS   4  -3.701  -5.107  -3.886
   22    HA   HIS   4           HA       HIS   4  -2.047  -5.629  -6.049
   23    HB2  HIS   4           2HB      HIS   4  -4.393  -7.049  -4.851
   24    HB3  HIS   4           3HB      HIS   4  -3.718  -7.639  -6.367
   25    HD1  HIS   4           HD1      HIS   4  -1.863  -6.352  -3.310
   26    HD2  HIS   4           HD2      HIS   4  -2.292  -9.808  -5.577
   27    HE1  HIS   4           HE1      HIS   4  -0.201  -7.986  -2.366
   28    H    TYR   5           H        TYR   5  -2.143  -5.031  -8.102
   29    HA   TYR   5           HA       TYR   5  -2.913  -4.257 -10.098
   30    HB2  TYR   5           2HB      TYR   5  -5.551  -5.588  -9.653
   31    HB3  TYR   5           3HB      TYR   5  -4.558  -5.529 -11.105
   32    HD1  TYR   5           HD1      TYR   5  -2.186  -6.750 -10.801
   33    HD2  TYR   5           HD2      TYR   5  -5.701  -7.612  -8.565
   34    HE1  TYR   5           HE1      TYR   5  -1.307  -8.991 -10.296
   35    HE2  TYR   5           HE2      TYR   5  -4.832  -9.855  -8.052
   36    HH   TYR   5           HH       TYR   5  -1.704 -10.950  -9.331
   37    H    GLY   6           H        GLY   6  -3.342  -2.588  -7.810
   38    HA2  GLY   6           2HA      GLY   6  -5.948  -1.346  -8.353
   39    HA3  GLY   6           3HA      GLY   6  -4.932  -1.031  -6.954
   40    H    LYS   7           H        LYS   7  -6.165   0.856  -8.817
   41    HA   LYS   7           HA       LYS   7  -4.412   1.927 -10.679
   42    HB2  LYS   7           2HB      LYS   7  -6.812   2.765  -9.317
   43    HB3  LYS   7           3HB      LYS   7  -5.698   4.117  -9.470
   44    HG2  LYS   7           2HG      LYS   7  -5.788   2.714 -11.949
   45    HG3  LYS   7           3HG      LYS   7  -7.436   3.054 -11.416
   46    HD2  LYS   7           2HD      LYS   7  -6.567   4.876 -12.787
   47    HD3  LYS   7           3HD      LYS   7  -6.854   5.415 -11.131
   48    HE2  LYS   7           2HE      LYS   7  -4.458   5.113 -10.645
   49    HE3  LYS   7           3HE      LYS   7  -4.193   4.639 -12.323
   50    HZ1  LYS   7           3HZ      LYS   7  -5.236   6.895 -12.865
   51    HZ2  LYS   7           1HZ      LYS   7  -3.648   6.878 -12.281
   52    HZ3  LYS   7           2HZ      LYS   7  -4.925   7.289 -11.250
   53    H    CYS   8           H        CYS   8  -2.975   3.727 -10.593
   54    HA   CYS   8           HA       CYS   8  -1.720   4.086  -7.951
   55    HB2  CYS   8           2HB      CYS   8  -0.336   4.396 -10.616
   56    HB3  CYS   8           3HB      CYS   8   0.404   4.301  -9.021
   57    H    ASP   9           H        ASP   9  -0.500   6.176  -7.746
   58    HA   ASP   9           HA       ASP   9  -2.227   8.350  -8.072
   59    HB2  ASP   9           2HB      ASP   9   0.675   8.088  -7.367
   60    HB3  ASP   9           3HB      ASP   9  -0.017   9.685  -7.636
   61    H    GLY  10           H        GLY  10  -0.087   6.884 -10.290
   62    HA2  GLY  10           2HA      GLY  10  -0.421   7.484 -12.638
   63    HA3  GLY  10           3HA      GLY  10  -0.456   9.166 -12.128
   64    H    ILE  11           H        ILE  11   1.465  10.245 -11.696
   65    HA   ILE  11           HA       ILE  11   3.706   9.457 -13.193
   66    HB   ILE  11           HB       ILE  11   4.883  11.328 -12.152
   67   HG12  ILE  11          2HG1      ILE  11   2.830  12.479 -10.561
   68   HG13  ILE  11          3HG1      ILE  11   3.048  10.820 -10.015
   69   HG21  ILE  11          1HG2      ILE  11   2.018  11.885 -12.898
   70   HG22  ILE  11          2HG2      ILE  11   3.262  13.125 -12.747
   71   HG23  ILE  11          3HG2      ILE  11   3.419  11.863 -13.969
   72   HD11  ILE  11          3HD1      ILE  11   4.425  12.548  -8.837
   73   HD12  ILE  11          1HD1      ILE  11   5.328  11.194  -9.517
   74   HD13  ILE  11          2HD1      ILE  11   5.322  12.753 -10.342
   75    H    ILE  12           H        ILE  12   2.686   8.548 -10.076
   76    HA   ILE  12           HA       ILE  12   5.380   7.717  -9.275
   77    HB   ILE  12           HB       ILE  12   2.824   7.604  -7.671
   78   HG12  ILE  12          2HG1      ILE  12   5.075   9.626  -7.605
   79   HG13  ILE  12          3HG1      ILE  12   3.449   9.918  -8.213
   80   HG21  ILE  12          1HG2      ILE  12   5.257   6.315  -7.275
   81   HG22  ILE  12          2HG2      ILE  12   5.297   7.700  -6.185
   82   HG23  ILE  12          3HG2      ILE  12   3.971   6.542  -6.089
   83   HD11  ILE  12          3HD1      ILE  12   3.057  10.714  -6.169
   84   HD12  ILE  12          1HD1      ILE  12   2.946   9.020  -5.695
   85   HD13  ILE  12          2HD1      ILE  12   4.459   9.900  -5.477
   86    H    ASN  13           H        ASN  13   5.883   5.846 -10.268
   87    HA   ASN  13           HA       ASN  13   3.890   3.731 -10.492
   88    HB2  ASN  13           2HB      ASN  13   6.727   3.924 -11.525
   89    HB3  ASN  13           3HB      ASN  13   5.650   2.561 -11.812
   90   HD21  ASN  13          1HD2      ASN  13   5.669   6.097 -12.102
   91   HD22  ASN  13          2HD2      ASN  13   4.865   6.145 -13.630
   92    H    GLN  14           H        GLN  14   4.893   4.484  -7.873
   93    HA   GLN  14           HA       GLN  14   6.729   2.426  -7.043
   94    HB2  GLN  14           2HB      GLN  14   6.333   4.822  -6.043
   95    HB3  GLN  14           3HB      GLN  14   5.076   4.012  -5.118
   96    HG2  GLN  14           2HG      GLN  14   6.806   3.808  -3.667
   97    HG3  GLN  14           3HG      GLN  14   7.028   2.324  -4.593
   98   HE21  GLN  14          1HE2      GLN  14   8.566   2.421  -6.388
   99   HE22  GLN  14          2HE2      GLN  14   9.964   3.423  -6.227
  100    H    CYS  15           H        CYS  15   5.276   0.718  -7.982
  101    HA   CYS  15           HA       CYS  15   3.151  -0.037  -6.089
  102    HB2  CYS  15           2HB      CYS  15   2.671   0.283  -8.613
  103    HB3  CYS  15           3HB      CYS  15   3.510  -1.252  -8.817
  104    H    CYS  16           H        CYS  16   4.067  -1.282  -4.565
  105    HA   CYS  16           HA       CYS  16   6.308  -2.847  -4.702
  106    HB2  CYS  16           2HB      CYS  16   3.819  -3.004  -3.050
  107    HB3  CYS  16           3HB      CYS  16   5.002  -4.303  -2.935
  108    H    ASP  17           H        ASP  17   3.013  -4.203  -4.893
  109    HA   ASP  17           HA       ASP  17   4.063  -6.230  -6.757
  110    HB2  ASP  17           2HB      ASP  17   1.998  -7.553  -5.647
  111    HB3  ASP  17           3HB      ASP  17   3.642  -7.639  -5.020
  112    HA   PRO  18           HA       PRO  18   2.668  -8.218  -7.384
  113    HB2  PRO  18           2HB      PRO  18   2.557  -8.915 -10.005
  114    HB3  PRO  18           3HB      PRO  18   1.183  -9.088  -8.906
  115    HG2  PRO  18           2HG      PRO  18   1.755  -6.927 -10.896
  116    HG3  PRO  18           3HG      PRO  18   0.223  -7.748 -10.546
  117    HD2  PRO  18           2HD      PRO  18   0.814  -5.291  -9.573
  118    HD3  PRO  18           3HD      PRO  18  -0.190  -6.454  -8.684
  119    H    TRP  19           H        TRP  19   3.361  -6.116 -10.185
  120    HA   TRP  19           HA       TRP  19   6.230  -6.515  -9.655
  121    HB2  TRP  19           2HB      TRP  19   4.787  -6.572 -12.304
  122    HB3  TRP  19           3HB      TRP  19   6.523  -6.298 -12.182
  123    HD1  TRP  19           HD1      TRP  19   4.111  -9.018 -12.604
  124    HE1  TRP  19           HE1      TRP  19   5.207 -11.304 -12.159
  125    HE3  TRP  19           HE3      TRP  19   8.415  -7.430 -10.346
  126    HZ2  TRP  19           HZ2      TRP  19   7.581 -12.302 -11.004
  127    HZ3  TRP  19           HZ3      TRP  19  10.046  -9.114  -9.601
  128    HH2  TRP  19           HH2      TRP  19   9.636 -11.500  -9.923
  129    H    LEU  20           H        LEU  20   4.959  -4.628 -12.298
  130    HA   LEU  20           HA       LEU  20   5.661  -2.162 -10.846
  131    HB2  LEU  20           2HB      LEU  20   6.314  -1.280 -13.140
  132    HB3  LEU  20           3HB      LEU  20   7.410  -2.424 -12.367
  133    HG   LEU  20           HG       LEU  20   5.398  -3.464 -14.304
  134   HD11  LEU  20          1HD1      LEU  20   6.363  -1.502 -15.419
  135   HD12  LEU  20          2HD1      LEU  20   6.872  -3.012 -16.174
  136   HD13  LEU  20          3HD1      LEU  20   7.980  -2.138 -15.118
  137   HD21  LEU  20          3HD2      LEU  20   6.627  -5.306 -14.125
  138   HD22  LEU  20          1HD2      LEU  20   7.536  -4.507 -12.842
  139   HD23  LEU  20          2HD2      LEU  20   8.106  -4.424 -14.509
  140    H    CYS  21           H        CYS  21   4.629  -0.198 -11.730
  141    HA   CYS  21           HA       CYS  21   1.847  -0.768 -12.402
  142    HB2  CYS  21           2HB      CYS  21   2.566   0.797 -10.510
  143    HB3  CYS  21           3HB      CYS  21   3.022   1.936 -11.773
  144    H    THR  22           H        THR  22   1.546  -1.030 -14.530
  145    HA   THR  22           HA       THR  22   2.356   1.169 -16.293
  146    HB   THR  22           HB       THR  22   2.957  -1.746 -16.713
  147    HG1  THR  22           HG1      THR  22   4.653  -0.498 -15.929
  148   HG21  THR  22          3HG2      THR  22   3.506  -1.123 -19.086
  149   HG22  THR  22          1HG2      THR  22   2.620   0.379 -18.827
  150   HG23  THR  22          2HG2      THR  22   1.783  -1.169 -18.712
  151    HA   PRO  23           HA       PRO  23   1.951   2.083 -18.085
  152    HB2  PRO  23           2HB      PRO  23   0.217   4.137 -18.466
  153    HB3  PRO  23           3HB      PRO  23   0.524   2.899 -19.690
  154    HG2  PRO  23           2HG      PRO  23  -1.744   3.122 -17.749
  155    HG3  PRO  23           3HG      PRO  23  -1.781   2.686 -19.467
  156    HD2  PRO  23           2HD      PRO  23  -1.909   0.838 -17.492
  157    HD3  PRO  23           3HD      PRO  23  -1.140   0.510 -19.058
  158    HA   PRO  24           HA       PRO  24   2.483   4.358 -14.360
  159    HB2  PRO  24           2HB      PRO  24   3.286   6.803 -15.222
  160    HB3  PRO  24           3HB      PRO  24   4.311   5.366 -15.320
  161    HG2  PRO  24           2HG      PRO  24   2.646   6.653 -17.449
  162    HG3  PRO  24           3HG      PRO  24   4.292   6.003 -17.556
  163    HD2  PRO  24           2HD      PRO  24   2.126   4.636 -18.433
  164    HD3  PRO  24           3HD      PRO  24   3.555   3.829 -17.757
  165    H    ILE  25           H        ILE  25   0.975   6.571 -16.725
  166    HA   ILE  25           HA       ILE  25  -0.672   7.695 -14.592
  167    HB   ILE  25           HB       ILE  25  -0.782   8.625 -17.437
  168   HG12  ILE  25          2HG1      ILE  25   1.360   9.331 -15.418
  169   HG13  ILE  25          3HG1      ILE  25   1.602   8.470 -16.935
  170   HG21  ILE  25          1HG2      ILE  25  -0.821  10.305 -14.959
  171   HG22  ILE  25          2HG2      ILE  25  -1.522  10.636 -16.543
  172   HG23  ILE  25          3HG2      ILE  25  -2.263   9.436 -15.484
  173   HD11  ILE  25          3HD1      ILE  25   0.903  11.353 -16.516
  174   HD12  ILE  25          1HD1      ILE  25   2.299  10.663 -17.342
  175   HD13  ILE  25          2HD1      ILE  25   0.698  10.551 -18.073
  176    H    ILE  26           H        ILE  26  -2.627   6.911 -14.220
  177    HA   ILE  26           HA       ILE  26  -4.704   6.026 -14.522
  178    HB   ILE  26           HB       ILE  26  -4.337   6.497 -17.478
  179   HG12  ILE  26          2HG1      ILE  26  -3.838   8.576 -16.328
  180   HG13  ILE  26          3HG1      ILE  26  -5.426   8.694 -17.079
  181   HG21  ILE  26          1HG2      ILE  26  -6.556   5.696 -15.742
  182   HG22  ILE  26          2HG2      ILE  26  -6.943   6.995 -16.869
  183   HG23  ILE  26          3HG2      ILE  26  -6.325   5.459 -17.474
  184   HD11  ILE  26          3HD1      ILE  26  -6.311   7.979 -14.763
  185   HD12  ILE  26          1HD1      ILE  26  -4.717   8.466 -14.189
  186   HD13  ILE  26          2HD1      ILE  26  -5.757   9.637 -15.000
  187    H    GLY  27           H        GLY  27  -3.172   4.093 -13.991
  188    HA2  GLY  27           2HA      GLY  27  -4.009   1.930 -15.718
  189    HA3  GLY  27           3HA      GLY  27  -2.271   2.191 -15.685
  190    H    PHE  28           H        PHE  28  -2.854  -0.193 -14.906
  191    HA   PHE  28           HA       PHE  28  -2.690  -0.102 -11.971
  192    HB2  PHE  28           2HB      PHE  28  -3.988  -2.425 -13.352
  193    HB3  PHE  28           3HB      PHE  28  -4.174  -1.875 -11.690
  194    HD1  PHE  28           HD1      PHE  28  -5.162  -1.294 -15.177
  195    HD2  PHE  28           HD2      PHE  28  -5.765  -0.190 -11.111
  196    HE1  PHE  28           HE1      PHE  28  -7.213  -0.093 -15.811
  197    HE2  PHE  28           HE2      PHE  28  -7.818   1.012 -11.738
  198    HZ   PHE  28           HZ       PHE  28  -8.545   1.061 -14.091
  199    H    CYS  29           H        CYS  29  -1.185  -1.413 -11.037
  200    HA   CYS  29           HA       CYS  29   0.889  -2.434 -12.725
  201    HB2  CYS  29           2HB      CYS  29   1.935  -3.133 -10.561
  202    HB3  CYS  29           3HB      CYS  29   1.515  -1.425 -10.633
  203    H    LEU  30           H        LEU  30   1.162  -4.435 -13.472
  204    HA   LEU  30           HA       LEU  30  -0.201  -6.664 -12.149
  205    HB2  LEU  30           2HB      LEU  30  -1.045  -7.536 -14.219
  206    HB3  LEU  30           3HB      LEU  30  -1.632  -5.889 -13.999
  207    HG   LEU  30           HG       LEU  30   0.792  -6.365 -15.677
  208   HD11  LEU  30          1HD1      LEU  30  -1.552  -6.278 -17.305
  209   HD12  LEU  30          2HD1      LEU  30  -1.672  -7.632 -16.182
  210   HD13  LEU  30          3HD1      LEU  30  -0.278  -7.496 -17.253
  211   HD21  LEU  30          3HD2      LEU  30   0.219  -4.086 -15.204
  212   HD22  LEU  30          1HD2      LEU  30  -1.458  -4.359 -15.677
  213   HD23  LEU  30          2HD2      LEU  30  -0.179  -4.421 -16.890
  Start of MODEL    3
    1    H1   CYS   1           H        CYS   1   1.628   0.525   0.761
    2    HA   CYS   1           HA       CYS   1   2.519   0.942  -1.349
    3    HB2  CYS   1           2HB      CYS   1   3.518  -1.219  -0.112
    4    HB3  CYS   1           3HB      CYS   1   2.932  -1.991  -1.581
    5    H    ILE   2           H        ILE   2  -0.116   1.006  -1.816
    6    HA   ILE   2           HA       ILE   2  -1.656   0.848  -3.484
    7    HB   ILE   2           HB       ILE   2   0.666  -0.313  -5.025
    8   HG12  ILE   2          2HG1      ILE   2   0.860   2.062  -4.244
    9   HG13  ILE   2          3HG1      ILE   2   0.881   1.879  -5.994
   10   HG21  ILE   2          1HG2      ILE   2  -1.141  -1.100  -6.228
   11   HG22  ILE   2          2HG2      ILE   2  -2.150   0.286  -5.819
   12   HG23  ILE   2          3HG2      ILE   2  -0.847   0.461  -6.995
   13   HD11  ILE   2          3HD1      ILE   2  -0.688   3.613  -4.557
   14   HD12  ILE   2          1HD1      ILE   2  -0.929   3.140  -6.239
   15   HD13  ILE   2          2HD1      ILE   2  -1.793   2.296  -4.953
   16    H    ALA   3           H        ALA   3  -3.303  -0.530  -3.710
   17    HA   ALA   3           HA       ALA   3  -3.142  -3.175  -2.719
   18    HB1  ALA   3           1HB      ALA   3  -5.233  -2.260  -2.437
   19    HB2  ALA   3           2HB      ALA   3  -5.263  -1.556  -4.054
   20    HB3  ALA   3           3HB      ALA   3  -5.495  -3.291  -3.844
   21    H    HIS   4           H        HIS   4  -3.720  -5.138  -3.901
   22    HA   HIS   4           HA       HIS   4  -2.047  -5.643  -6.061
   23    HB2  HIS   4           2HB      HIS   4  -4.492  -7.096  -5.056
   24    HB3  HIS   4           3HB      HIS   4  -3.508  -7.709  -6.382
   25    HD1  HIS   4           HD1      HIS   4  -1.967  -6.072  -3.376
   26    HD2  HIS   4           HD2      HIS   4  -2.538  -9.877  -4.943
   27    HE1  HIS   4           HE1      HIS   4  -0.538  -7.596  -1.977
   28    H    TYR   5           H        TYR   5  -2.146  -5.034  -8.111
   29    HA   TYR   5           HA       TYR   5  -2.919  -4.259 -10.105
   30    HB2  TYR   5           2HB      TYR   5  -5.567  -5.564  -9.666
   31    HB3  TYR   5           3HB      TYR   5  -4.561  -5.528 -11.110
   32    HD1  TYR   5           HD1      TYR   5  -2.219  -6.786 -10.798
   33    HD2  TYR   5           HD2      TYR   5  -5.742  -7.569  -8.545
   34    HE1  TYR   5           HE1      TYR   5  -1.374  -9.035 -10.270
   35    HE2  TYR   5           HE2      TYR   5  -4.907  -9.819  -8.010
   36    HH   TYR   5           HH       TYR   5  -3.281 -11.475  -9.053
   37    H    GLY   6           H        GLY   6  -3.333  -2.596  -7.806
   38    HA2  GLY   6           2HA      GLY   6  -5.933  -1.337  -8.336
   39    HA3  GLY   6           3HA      GLY   6  -4.906  -1.028  -6.944
   40    H    LYS   7           H        LYS   7  -6.145   0.855  -8.821
   41    HA   LYS   7           HA       LYS   7  -4.388   1.919 -10.682
   42    HB2  LYS   7           2HB      LYS   7  -6.791   2.763  -9.329
   43    HB3  LYS   7           3HB      LYS   7  -5.676   4.114  -9.480
   44    HG2  LYS   7           2HG      LYS   7  -5.757   2.708 -11.958
   45    HG3  LYS   7           3HG      LYS   7  -7.407   3.048 -11.431
   46    HD2  LYS   7           2HD      LYS   7  -6.537   4.870 -12.799
   47    HD3  LYS   7           3HD      LYS   7  -6.826   5.410 -11.144
   48    HE2  LYS   7           2HE      LYS   7  -4.430   5.108 -10.655
   49    HE3  LYS   7           3HE      LYS   7  -4.163   4.633 -12.332
   50    HZ1  LYS   7           3HZ      LYS   7  -5.210   6.890 -12.875
   51    HZ2  LYS   7           1HZ      LYS   7  -3.620   6.870 -12.297
   52    HZ3  LYS   7           2HZ      LYS   7  -4.891   7.284 -11.261
   53    H    CYS   8           H        CYS   8  -2.947   3.714 -10.601
   54    HA   CYS   8           HA       CYS   8  -1.697   4.084  -7.958
   55    HB2  CYS   8           2HB      CYS   8  -0.307   4.377 -10.621
   56    HB3  CYS   8           3HB      CYS   8   0.430   4.291  -9.024
   57    H    ASP   9           H        ASP   9  -0.477   6.174  -7.756
   58    HA   ASP   9           HA       ASP   9  -2.200   8.349  -8.103
   59    HB2  ASP   9           2HB      ASP   9   0.706   8.100  -7.396
   60    HB3  ASP   9           3HB      ASP   9  -0.009   9.690  -7.646
   61    H    GLY  10           H        GLY  10  -0.058   6.865 -10.304
   62    HA2  GLY  10           2HA      GLY  10  -0.376   7.457 -12.656
   63    HA3  GLY  10           3HA      GLY  10  -0.408   9.141 -12.153
   64    H    ILE  11           H        ILE  11   1.516  10.214 -11.714
   65    HA   ILE  11           HA       ILE  11   3.760   9.413 -13.198
   66    HB   ILE  11           HB       ILE  11   4.953  11.266 -12.067
   67   HG12  ILE  11          2HG1      ILE  11   2.846  12.530 -10.689
   68   HG13  ILE  11          3HG1      ILE  11   2.861  10.863 -10.122
   69   HG21  ILE  11          1HG2      ILE  11   2.203  12.201 -12.814
   70   HG22  ILE  11          2HG2      ILE  11   3.757  12.976 -13.119
   71   HG23  ILE  11          3HG2      ILE  11   3.307  11.523 -14.010
   72   HD11  ILE  11          3HD1      ILE  11   5.251  12.690 -10.150
   73   HD12  ILE  11          1HD1      ILE  11   4.231  12.373  -8.747
   74   HD13  ILE  11          2HD1      ILE  11   5.168  11.065  -9.470
   75    H    ILE  12           H        ILE  12   2.723   8.518 -10.082
   76    HA   ILE  12           HA       ILE  12   5.410   7.676  -9.268
   77    HB   ILE  12           HB       ILE  12   2.859   7.532  -7.661
   78   HG12  ILE  12          2HG1      ILE  12   5.036   9.632  -7.569
   79   HG13  ILE  12          3HG1      ILE  12   3.446   9.862  -8.288
   80   HG21  ILE  12          1HG2      ILE  12   5.349   7.750  -6.205
   81   HG22  ILE  12          2HG2      ILE  12   4.057   6.561  -6.056
   82   HG23  ILE  12          3HG2      ILE  12   5.329   6.334  -7.257
   83   HD11  ILE  12          3HD1      ILE  12   2.728  10.559  -6.320
   84   HD12  ILE  12          1HD1      ILE  12   2.984   8.932  -5.691
   85   HD13  ILE  12          2HD1      ILE  12   4.264  10.138  -5.562
   86    H    ASN  13           H        ASN  13   5.909   5.801 -10.257
   87    HA   ASN  13           HA       ASN  13   3.909   3.694 -10.485
   88    HB2  ASN  13           2HB      ASN  13   6.751   3.876 -11.508
   89    HB3  ASN  13           3HB      ASN  13   5.671   2.514 -11.795
   90   HD21  ASN  13          1HD2      ASN  13   5.700   6.049 -12.095
   91   HD22  ASN  13          2HD2      ASN  13   4.901   6.095 -13.626
   92    H    GLN  14           H        GLN  14   4.903   4.446  -7.863
   93    HA   GLN  14           HA       GLN  14   6.730   2.385  -7.022
   94    HB2  GLN  14           2HB      GLN  14   6.365   4.773  -6.023
   95    HB3  GLN  14           3HB      GLN  14   5.063   4.002  -5.127
   96    HG2  GLN  14           2HG      GLN  14   6.721   3.721  -3.622
   97    HG3  GLN  14           3HG      GLN  14   6.988   2.263  -4.576
   98   HE21  GLN  14          1HE2      GLN  14   8.609   2.394  -6.283
   99   HE22  GLN  14          2HE2      GLN  14   9.990   3.404  -6.047
  100    H    CYS  15           H        CYS  15   5.280   0.678  -7.966
  101    HA   CYS  15           HA       CYS  15   3.147  -0.074  -6.080
  102    HB2  CYS  15           2HB      CYS  15   2.678   0.255  -8.609
  103    HB3  CYS  15           3HB      CYS  15   3.501  -1.289  -8.807
  104    H    CYS  16           H        CYS  16   4.067  -1.322  -4.558
  105    HA   CYS  16           HA       CYS  16   6.301  -2.898  -4.710
  106    HB2  CYS  16           2HB      CYS  16   3.826  -3.030  -3.036
  107    HB3  CYS  16           3HB      CYS  16   4.993  -4.344  -2.931
  108    H    ASP  17           H        ASP  17   2.992  -4.224  -4.885
  109    HA   ASP  17           HA       ASP  17   4.017  -6.267  -6.745
  110    HB2  ASP  17           2HB      ASP  17   1.933  -7.557  -5.615
  111    HB3  ASP  17           3HB      ASP  17   3.586  -7.679  -5.019
  112    HA   PRO  18           HA       PRO  18   2.595  -8.247  -7.353
  113    HB2  PRO  18           2HB      PRO  18   2.461  -8.957  -9.970
  114    HB3  PRO  18           3HB      PRO  18   1.092  -9.109  -8.862
  115    HG2  PRO  18           2HG      PRO  18   1.676  -6.964 -10.868
  116    HG3  PRO  18           3HG      PRO  18   0.137  -7.767 -10.504
  117    HD2  PRO  18           2HD      PRO  18   0.762  -5.311  -9.549
  118    HD3  PRO  18           3HD      PRO  18  -0.251  -6.458  -8.647
  119    H    TRP  19           H        TRP  19   3.295  -6.171 -10.172
  120    HA   TRP  19           HA       TRP  19   6.162  -6.604  -9.658
  121    HB2  TRP  19           2HB      TRP  19   4.637  -6.814 -12.226
  122    HB3  TRP  19           3HB      TRP  19   6.309  -6.263 -12.262
  123    HD1  TRP  19           HD1      TRP  19   4.338  -9.346 -12.412
  124    HE1  TRP  19           HE1      TRP  19   5.825 -11.413 -12.034
  125    HE3  TRP  19           HE3      TRP  19   8.514  -7.020 -10.599
  126    HZ2  TRP  19           HZ2      TRP  19   8.424 -11.982 -11.091
  127    HZ3  TRP  19           HZ3      TRP  19  10.457  -8.398  -9.982
  128    HH2  TRP  19           HH2      TRP  19  10.411 -10.827 -10.223
  129    H    LEU  20           H        LEU  20   4.901  -4.700 -12.293
  130    HA   LEU  20           HA       LEU  20   5.638  -2.243 -10.843
  131    HB2  LEU  20           2HB      LEU  20   6.788  -1.400 -12.654
  132    HB3  LEU  20           3HB      LEU  20   7.225  -3.107 -12.690
  133    HG   LEU  20           HG       LEU  20   5.125  -1.825 -14.437
  134   HD11  LEU  20          1HD1      LEU  20   8.041  -2.279 -14.785
  135   HD12  LEU  20          2HD1      LEU  20   7.026  -0.955 -15.353
  136   HD13  LEU  20          3HD1      LEU  20   6.981  -2.514 -16.175
  137   HD21  LEU  20          3HD2      LEU  20   5.626  -4.054 -15.699
  138   HD22  LEU  20          1HD2      LEU  20   4.508  -4.041 -14.334
  139   HD23  LEU  20          2HD2      LEU  20   6.164  -4.605 -14.111
  140    H    CYS  21           H        CYS  21   4.630  -0.267 -11.725
  141    HA   CYS  21           HA       CYS  21   1.844  -0.803 -12.403
  142    HB2  CYS  21           2HB      CYS  21   2.603   0.761 -10.513
  143    HB3  CYS  21           3HB      CYS  21   3.032   1.896 -11.789
  144    H    THR  22           H        THR  22   1.542  -1.060 -14.533
  145    HA   THR  22           HA       THR  22   2.377   1.130 -16.293
  146    HB   THR  22           HB       THR  22   2.962  -1.788 -16.708
  147    HG1  THR  22           HG1      THR  22   4.491  -0.047 -15.901
  148   HG21  THR  22          3HG2      THR  22   1.795  -1.220 -18.710
  149   HG22  THR  22          1HG2      THR  22   3.517  -1.169 -19.085
  150   HG23  THR  22          2HG2      THR  22   2.626   0.331 -18.828
  151    HA   PRO  23           HA       PRO  23   1.985   2.045 -18.088
  152    HB2  PRO  23           2HB      PRO  23   0.269   4.112 -18.478
  153    HB3  PRO  23           3HB      PRO  23   0.570   2.870 -19.699
  154    HG2  PRO  23           2HG      PRO  23  -1.702   3.113 -17.765
  155    HG3  PRO  23           3HG      PRO  23  -1.737   2.676 -19.483
  156    HD2  PRO  23           2HD      PRO  23  -1.886   0.831 -17.506
  157    HD3  PRO  23           3HD      PRO  23  -1.115   0.495 -19.070
  158    HA   PRO  24           HA       PRO  24   2.523   4.320 -14.364
  159    HB2  PRO  24           2HB      PRO  24   3.345   6.759 -15.227
  160    HB3  PRO  24           3HB      PRO  24   4.360   5.315 -15.321
  161    HG2  PRO  24           2HG      PRO  24   2.710   6.612 -17.456
  162    HG3  PRO  24           3HG      PRO  24   4.352   5.950 -17.558
  163    HD2  PRO  24           2HD      PRO  24   2.179   4.597 -18.439
  164    HD3  PRO  24           3HD      PRO  24   3.601   3.780 -17.758
  165    H    ILE  25           H        ILE  25   1.044   6.551 -16.733
  166    HA   ILE  25           HA       ILE  25  -0.599   7.691 -14.608
  167    HB   ILE  25           HB       ILE  25  -0.699   8.602 -17.460
  168   HG12  ILE  25          2HG1      ILE  25   1.433   9.318 -15.435
  169   HG13  ILE  25          3HG1      ILE  25   1.682   8.443 -16.942
  170   HG21  ILE  25          1HG2      ILE  25  -0.736  10.317 -15.011
  171   HG22  ILE  25          2HG2      ILE  25  -1.460  10.608 -16.591
  172   HG23  ILE  25          3HG2      ILE  25  -2.178   9.426 -15.497
  173   HD11  ILE  25          3HD1      ILE  25   2.364  10.568 -17.485
  174   HD12  ILE  25          1HD1      ILE  25   0.690  10.572 -18.037
  175   HD13  ILE  25          2HD1      ILE  25   1.115  11.335 -16.505
  176    H    ILE  26           H        ILE  26  -2.546   6.894 -14.221
  177    HA   ILE  26           HA       ILE  26  -4.629   6.020 -14.513
  178    HB   ILE  26           HB       ILE  26  -4.289   6.488 -17.472
  179   HG12  ILE  26          2HG1      ILE  26  -3.747   8.566 -16.353
  180   HG13  ILE  26          3HG1      ILE  26  -5.354   8.700 -17.058
  181   HG21  ILE  26          1HG2      ILE  26  -6.363   5.395 -15.924
  182   HG22  ILE  26          2HG2      ILE  26  -6.899   7.002 -16.412
  183   HG23  ILE  26          3HG2      ILE  26  -6.402   5.830 -17.632
  184   HD11  ILE  26          3HD1      ILE  26  -5.568   9.668 -14.961
  185   HD12  ILE  26          1HD1      ILE  26  -6.209   8.041 -14.738
  186   HD13  ILE  26          2HD1      ILE  26  -4.581   8.432 -14.183
  187    H    GLY  27           H        GLY  27  -3.178   4.064 -13.972
  188    HA2  GLY  27           2HA      GLY  27  -4.004   1.919 -15.715
  189    HA3  GLY  27           3HA      GLY  27  -2.264   2.167 -15.682
  190    H    PHE  28           H        PHE  28  -2.846  -0.213 -14.910
  191    HA   PHE  28           HA       PHE  28  -2.696  -0.134 -11.973
  192    HB2  PHE  28           2HB      PHE  28  -4.001  -2.434 -13.395
  193    HB3  PHE  28           3HB      PHE  28  -4.163  -1.936 -11.714
  194    HD1  PHE  28           HD1      PHE  28  -5.189  -1.232 -15.169
  195    HD2  PHE  28           HD2      PHE  28  -5.749  -0.277 -11.059
  196    HE1  PHE  28           HE1      PHE  28  -7.246  -0.007 -15.738
  197    HE2  PHE  28           HE2      PHE  28  -7.807   0.948 -11.621
  198    HZ   PHE  28           HZ       PHE  28  -8.559   1.084 -13.962
  199    H    CYS  29           H        CYS  29  -1.195  -1.445 -11.038
  200    HA   CYS  29           HA       CYS  29   0.887  -2.461 -12.721
  201    HB2  CYS  29           2HB      CYS  29   1.921  -3.168 -10.550
  202    HB3  CYS  29           3HB      CYS  29   1.512  -1.458 -10.629
  203    H    LEU  30           H        LEU  30   1.179  -4.465 -13.456
  204    HA   LEU  30           HA       LEU  30  -0.202  -6.694 -12.150
  205    HB2  LEU  30           2HB      LEU  30  -0.627  -7.542 -14.565
  206    HB3  LEU  30           3HB      LEU  30  -1.734  -6.383 -13.831
  207    HG   LEU  30           HG       LEU  30  -0.552  -4.573 -15.075
  208   HD11  LEU  30          1HD1      LEU  30   1.061  -6.894 -15.946
  209   HD12  LEU  30          2HD1      LEU  30   1.528  -5.212 -15.701
  210   HD13  LEU  30          3HD1      LEU  30   0.671  -5.684 -17.168
  211   HD21  LEU  30          3HD2      LEU  30  -1.746  -4.913 -17.059
  212   HD22  LEU  30          1HD2      LEU  30  -2.638  -5.834 -15.848
  213   HD23  LEU  30          2HD2      LEU  30  -1.566  -6.666 -16.974
  Start of MODEL    4
    1    H1   CYS   1           H        CYS   1   1.807   0.919   0.584
    2    HA   CYS   1           HA       CYS   1   2.322   1.738  -1.558
    3    HB2  CYS   1           2HB      CYS   1   3.878  -0.009  -2.598
    4    HB3  CYS   1           3HB      CYS   1   4.249   0.517  -0.959
    5    H    ILE   2           H        ILE   2  -0.107   1.550  -2.129
    6    HA   ILE   2           HA       ILE   2  -1.649   1.184  -3.763
    7    HB   ILE   2           HB       ILE   2   0.717   0.034  -5.245
    8   HG12  ILE   2          2HG1      ILE   2   0.816   2.460  -4.640
    9   HG13  ILE   2          3HG1      ILE   2   0.809   2.161  -6.375
   10   HG21  ILE   2          1HG2      ILE   2  -2.118   0.523  -6.092
   11   HG22  ILE   2          2HG2      ILE   2  -0.795   0.523  -7.258
   12   HG23  ILE   2          3HG2      ILE   2  -1.131  -0.923  -6.305
   13   HD11  ILE   2          3HD1      ILE   2  -1.552   3.016  -4.717
   14   HD12  ILE   2          1HD1      ILE   2  -0.611   4.039  -5.803
   15   HD13  ILE   2          2HD1      ILE   2  -1.569   2.708  -6.453
   16    H    ALA   3           H        ALA   3  -3.217  -0.296  -3.873
   17    HA   ALA   3           HA       ALA   3  -2.867  -2.865  -2.712
   18    HB1  ALA   3           1HB      ALA   3  -5.284  -2.837  -4.162
   19    HB2  ALA   3           2HB      ALA   3  -5.051  -2.599  -2.430
   20    HB3  ALA   3           3HB      ALA   3  -5.051  -1.212  -3.519
   21    H    HIS   4           H        HIS   4  -3.403  -4.918  -3.761
   22    HA   HIS   4           HA       HIS   4  -1.800  -5.474  -5.953
   23    HB2  HIS   4           2HB      HIS   4  -3.983  -6.913  -4.533
   24    HB3  HIS   4           3HB      HIS   4  -3.511  -7.525  -6.115
   25    HD1  HIS   4           HD1      HIS   4  -1.517  -6.332  -3.090
   26    HD2  HIS   4           HD2      HIS   4  -1.734  -9.514  -5.752
   27    HE1  HIS   4           HE1      HIS   4   0.330  -7.899  -2.416
   28    H    TYR   5           H        TYR   5  -1.984  -4.970  -8.025
   29    HA   TYR   5           HA       TYR   5  -2.846  -4.320 -10.028
   30    HB2  TYR   5           2HB      TYR   5  -5.441  -5.673  -9.468
   31    HB3  TYR   5           3HB      TYR   5  -4.443  -5.713 -10.918
   32    HD1  TYR   5           HD1      TYR   5  -2.089  -6.912 -10.570
   33    HD2  TYR   5           HD2      TYR   5  -5.546  -7.585  -8.182
   34    HE1  TYR   5           HE1      TYR   5  -1.192  -9.101  -9.897
   35    HE2  TYR   5           HE2      TYR   5  -4.657  -9.775  -7.502
   36    HH   TYR   5           HH       TYR   5  -3.098 -11.405  -8.132
   37    H    GLY   6           H        GLY   6  -3.306  -2.617  -7.716
   38    HA2  GLY   6           2HA      GLY   6  -5.928  -1.433  -8.316
   39    HA3  GLY   6           3HA      GLY   6  -4.947  -1.090  -6.898
   40    H    LYS   7           H        LYS   7  -6.179   0.756  -8.810
   41    HA   LYS   7           HA       LYS   7  -4.440   1.854 -10.652
   42    HB2  LYS   7           2HB      LYS   7  -6.838   2.671  -9.281
   43    HB3  LYS   7           3HB      LYS   7  -5.732   4.032  -9.415
   44    HG2  LYS   7           2HG      LYS   7  -5.813   2.657 -11.912
   45    HG3  LYS   7           3HG      LYS   7  -7.462   2.989 -11.376
   46    HD2  LYS   7           2HD      LYS   7  -6.595   4.829 -12.724
   47    HD3  LYS   7           3HD      LYS   7  -6.884   5.347 -11.061
   48    HE2  LYS   7           2HE      LYS   7  -4.490   5.050 -10.577
   49    HE3  LYS   7           3HE      LYS   7  -4.220   4.584 -12.256
   50    HZ1  LYS   7           3HZ      LYS   7  -5.047   7.229 -11.212
   51    HZ2  LYS   7           1HZ      LYS   7  -5.188   6.818 -12.847
   52    HZ3  LYS   7           2HZ      LYS   7  -3.666   6.846 -12.111
   53    H    CYS   8           H        CYS   8  -3.006   3.655 -10.573
   54    HA   CYS   8           HA       CYS   8  -1.735   4.015  -7.938
   55    HB2  CYS   8           2HB      CYS   8  -0.371   4.331 -10.613
   56    HB3  CYS   8           3HB      CYS   8   0.381   4.241  -9.023
   57    H    ASP   9           H        ASP   9  -0.584   6.106  -7.673
   58    HA   ASP   9           HA       ASP   9  -2.311   8.271  -8.042
   59    HB2  ASP   9           2HB      ASP   9   0.554   7.999  -7.222
   60    HB3  ASP   9           3HB      ASP   9  -0.093   9.604  -7.551
   61    H    GLY  10           H        GLY  10  -0.095   6.833 -10.203
   62    HA2  GLY  10           2HA      GLY  10  -0.367   7.452 -12.557
   63    HA3  GLY  10           3HA      GLY  10  -0.416   9.129 -12.034
   64    H    ILE  11           H        ILE  11   1.496  10.199 -11.527
   65    HA   ILE  11           HA       ILE  11   3.775   9.432 -12.974
   66    HB   ILE  11           HB       ILE  11   4.939  11.259 -11.765
   67   HG12  ILE  11          2HG1      ILE  11   2.732  12.460 -10.444
   68   HG13  ILE  11          3HG1      ILE  11   2.837  10.798  -9.874
   69   HG21  ILE  11          1HG2      ILE  11   2.187  11.941 -12.792
   70   HG22  ILE  11          2HG2      ILE  11   3.527  13.073 -12.618
   71   HG23  ILE  11          3HG2      ILE  11   3.644  11.738 -13.765
   72   HD11  ILE  11          3HD1      ILE  11   4.109  12.588  -8.585
   73   HD12  ILE  11          1HD1      ILE  11   4.977  11.111  -9.007
   74   HD13  ILE  11          2HD1      ILE  11   5.238  12.585  -9.941
   75    H    ILE  12           H        ILE  12   2.669   8.468  -9.903
   76    HA   ILE  12           HA       ILE  12   5.340   7.603  -9.055
   77    HB   ILE  12           HB       ILE  12   2.775   7.424  -7.478
   78   HG12  ILE  12          2HG1      ILE  12   4.893   9.586  -7.434
   79   HG13  ILE  12          3HG1      ILE  12   3.251   9.766  -8.042
   80   HG21  ILE  12          1HG2      ILE  12   3.983   6.513  -5.838
   81   HG22  ILE  12          2HG2      ILE  12   5.228   6.245  -7.057
   82   HG23  ILE  12          3HG2      ILE  12   5.287   7.683  -6.038
   83   HD11  ILE  12          3HD1      ILE  12   3.068  10.685  -5.957
   84   HD12  ILE  12          1HD1      ILE  12   2.593   9.019  -5.631
   85   HD13  ILE  12          2HD1      ILE  12   4.224   9.563  -5.240
   86    H    ASN  13           H        ASN  13   5.842   5.739 -10.061
   87    HA   ASN  13           HA       ASN  13   3.830   3.654 -10.365
   88    HB2  ASN  13           2HB      ASN  13   6.700   3.824 -11.309
   89    HB3  ASN  13           3HB      ASN  13   5.620   2.473 -11.640
   90   HD21  ASN  13          1HD2      ASN  13   5.678   6.011 -11.898
   91   HD22  ASN  13          2HD2      ASN  13   4.920   6.079 -13.449
   92    H    GLN  14           H        GLN  14   4.760   4.360  -7.706
   93    HA   GLN  14           HA       GLN  14   6.548   2.279  -6.840
   94    HB2  GLN  14           2HB      GLN  14   5.093   4.531  -5.557
   95    HB3  GLN  14           3HB      GLN  14   5.545   3.179  -4.529
   96    HG2  GLN  14           2HG      GLN  14   7.174   5.084  -4.616
   97    HG3  GLN  14           3HG      GLN  14   7.840   3.488  -4.957
   98   HE21  GLN  14          1HE2      GLN  14   8.386   2.958  -7.103
   99   HE22  GLN  14          2HE2      GLN  14   8.685   4.185  -8.281
  100    H    CYS  15           H        CYS  15   5.100   0.610  -7.885
  101    HA   CYS  15           HA       CYS  15   2.934  -0.192  -6.059
  102    HB2  CYS  15           2HB      CYS  15   2.424   0.233  -8.528
  103    HB3  CYS  15           3HB      CYS  15   3.345  -1.230  -8.860
  104    H    CYS  16           H        CYS  16   3.809  -1.511  -4.575
  105    HA   CYS  16           HA       CYS  16   6.039  -3.087  -4.734
  106    HB2  CYS  16           2HB      CYS  16   3.478  -3.500  -3.196
  107    HB3  CYS  16           3HB      CYS  16   4.874  -4.554  -2.997
  108    H    ASP  17           H        ASP  17   2.800  -4.555  -4.880
  109    HA   ASP  17           HA       ASP  17   3.861  -6.460  -6.863
  110    HB2  ASP  17           2HB      ASP  17   1.483  -7.351  -5.421
  111    HB3  ASP  17           3HB      ASP  17   3.011  -8.184  -5.694
  112    HA   PRO  18           HA       PRO  18   2.452  -8.427  -7.567
  113    HB2  PRO  18           2HB      PRO  18   2.390  -9.059 -10.207
  114    HB3  PRO  18           3HB      PRO  18   0.991  -9.242  -9.142
  115    HG2  PRO  18           2HG      PRO  18   1.631  -7.040 -11.067
  116    HG3  PRO  18           3HG      PRO  18   0.083  -7.851 -10.769
  117    HD2  PRO  18           2HD      PRO  18   0.681  -5.425  -9.725
  118    HD3  PRO  18           3HD      PRO  18  -0.356  -6.597  -8.886
  119    H    TRP  19           H        TRP  19   3.231  -6.266 -10.300
  120    HA   TRP  19           HA       TRP  19   6.083  -6.713  -9.718
  121    HB2  TRP  19           2HB      TRP  19   4.677  -6.732 -12.382
  122    HB3  TRP  19           3HB      TRP  19   6.403  -6.402 -12.253
  123    HD1  TRP  19           HD1      TRP  19   4.222  -9.170 -12.961
  124    HE1  TRP  19           HE1      TRP  19   5.340 -11.435 -12.464
  125    HE3  TRP  19           HE3      TRP  19   8.138  -7.535 -10.109
  126    HZ2  TRP  19           HZ2      TRP  19   7.584 -12.401 -11.050
  127    HZ3  TRP  19           HZ3      TRP  19   9.724  -9.194  -9.222
  128    HH2  TRP  19           HH2      TRP  19   9.451 -11.576  -9.684
  129    H    LEU  20           H        LEU  20   4.891  -4.746 -12.340
  130    HA   LEU  20           HA       LEU  20   5.594  -2.326 -10.814
  131    HB2  LEU  20           2HB      LEU  20   6.304  -1.395 -13.069
  132    HB3  LEU  20           3HB      LEU  20   7.368  -2.577 -12.310
  133    HG   LEU  20           HG       LEU  20   5.376  -3.541 -14.303
  134   HD11  LEU  20          1HD1      LEU  20   7.077  -3.107 -16.092
  135   HD12  LEU  20          2HD1      LEU  20   7.889  -2.022 -14.964
  136   HD13  LEU  20          3HD1      LEU  20   6.243  -1.674 -15.491
  137   HD21  LEU  20          3HD2      LEU  20   8.021  -4.560 -14.584
  138   HD22  LEU  20          1HD2      LEU  20   6.561  -5.399 -14.059
  139   HD23  LEU  20          2HD2      LEU  20   7.583  -4.584 -12.875
  140    H    CYS  21           H        CYS  21   4.605  -0.327 -11.672
  141    HA   CYS  21           HA       CYS  21   1.829  -0.845 -12.406
  142    HB2  CYS  21           2HB      CYS  21   2.534   0.667 -10.465
  143    HB3  CYS  21           3HB      CYS  21   3.026   1.829 -11.693
  144    H    THR  22           H        THR  22   1.570  -1.058 -14.547
  145    HA   THR  22           HA       THR  22   2.432   1.175 -16.241
  146    HB   THR  22           HB       THR  22   3.009  -1.736 -16.730
  147    HG1  THR  22           HG1      THR  22   4.581  -0.212 -15.791
  148   HG21  THR  22          3HG2      THR  22   2.801   0.465 -18.783
  149   HG22  THR  22          1HG2      THR  22   1.889  -1.043 -18.736
  150   HG23  THR  22          2HG2      THR  22   3.622  -1.071 -19.062
  151    HA   PRO  23           HA       PRO  23   2.076   2.119 -18.033
  152    HB2  PRO  23           2HB      PRO  23   0.372   4.197 -18.417
  153    HB3  PRO  23           3HB      PRO  23   0.692   2.976 -19.654
  154    HG2  PRO  23           2HG      PRO  23  -1.614   3.191 -17.757
  155    HG3  PRO  23           3HG      PRO  23  -1.619   2.783 -19.483
  156    HD2  PRO  23           2HD      PRO  23  -1.807   0.905 -17.541
  157    HD3  PRO  23           3HD      PRO  23  -1.009   0.594 -19.096
  158    HA   PRO  24           HA       PRO  24   2.553   4.330 -14.262
  159    HB2  PRO  24           2HB      PRO  24   3.394   6.782 -15.069
  160    HB3  PRO  24           3HB      PRO  24   4.408   5.338 -15.169
  161    HG2  PRO  24           2HG      PRO  24   2.797   6.674 -17.310
  162    HG3  PRO  24           3HG      PRO  24   4.440   6.011 -17.395
  163    HD2  PRO  24           2HD      PRO  24   2.280   4.677 -18.337
  164    HD3  PRO  24           3HD      PRO  24   3.689   3.847 -17.646
  165    H    ILE  25           H        ILE  25   1.100   6.581 -16.627
  166    HA   ILE  25           HA       ILE  25  -0.575   7.691 -14.508
  167    HB   ILE  25           HB       ILE  25  -0.614   8.662 -17.342
  168   HG12  ILE  25          2HG1      ILE  25   1.472   9.337 -15.257
  169   HG13  ILE  25          3HG1      ILE  25   1.755   8.488 -16.773
  170   HG21  ILE  25          1HG2      ILE  25  -2.133   9.443 -15.389
  171   HG22  ILE  25          2HG2      ILE  25  -0.702  10.328 -14.862
  172   HG23  ILE  25          3HG2      ILE  25  -1.400  10.646 -16.450
  173   HD11  ILE  25          3HD1      ILE  25   0.811  10.622 -17.871
  174   HD12  ILE  25          1HD1      ILE  25   1.145  11.373 -16.311
  175   HD13  ILE  25          2HD1      ILE  25   2.456  10.637 -17.234
  176    H    ILE  26           H        ILE  26  -2.540   6.909 -14.184
  177    HA   ILE  26           HA       ILE  26  -4.616   6.043 -14.538
  178    HB   ILE  26           HB       ILE  26  -4.197   6.567 -17.477
  179   HG12  ILE  26          2HG1      ILE  26  -3.702   8.621 -16.286
  180   HG13  ILE  26          3HG1      ILE  26  -5.280   8.764 -17.052
  181   HG21  ILE  26          1HG2      ILE  26  -6.802   7.068 -16.946
  182   HG22  ILE  26          2HG2      ILE  26  -6.183   5.512 -17.496
  183   HG23  ILE  26          3HG2      ILE  26  -6.466   5.791 -15.778
  184   HD11  ILE  26          3HD1      ILE  26  -6.164   7.978 -14.736
  185   HD12  ILE  26          1HD1      ILE  26  -4.589   8.530 -14.166
  186   HD13  ILE  26          2HD1      ILE  26  -5.677   9.655 -14.979
  187    H    GLY  27           H        GLY  27  -3.211   4.068 -13.986
  188    HA2  GLY  27           2HA      GLY  27  -4.002   1.952 -15.771
  189    HA3  GLY  27           3HA      GLY  27  -2.262   2.197 -15.721
  190    H    PHE  28           H        PHE  28  -2.862  -0.193 -14.986
  191    HA   PHE  28           HA       PHE  28  -2.725  -0.153 -12.048
  192    HB2  PHE  28           2HB      PHE  28  -4.032  -2.434 -13.495
  193    HB3  PHE  28           3HB      PHE  28  -4.212  -1.938 -11.816
  194    HD1  PHE  28           HD2      PHE  28  -5.193  -1.222 -15.281
  195    HD2  PHE  28           HD1      PHE  28  -5.797  -0.275 -11.176
  196    HE1  PHE  28           HE2      PHE  28  -7.237   0.014 -15.870
  197    HE2  PHE  28           HE1      PHE  28  -7.843   0.961 -11.758
  198    HZ   PHE  28           HZ       PHE  28  -8.565   1.108 -14.108
  199    H    CYS  29           H        CYS  29  -1.246  -1.500 -11.120
  200    HA   CYS  29           HA       CYS  29   0.849  -2.490 -12.798
  201    HB2  CYS  29           2HB      CYS  29   1.842  -3.268 -10.629
  202    HB3  CYS  29           3HB      CYS  29   1.456  -1.551 -10.675
  203    H    LEU  30           H        LEU  30   1.131  -4.473 -13.591
  204    HA   LEU  30           HA       LEU  30  -0.278  -6.728 -12.362
  205    HB2  LEU  30           2HB      LEU  30  -1.121  -7.525 -14.439
  206    HB3  LEU  30           3HB      LEU  30  -1.629  -5.848 -14.255
  207    HG   LEU  30           HG       LEU  30   0.794  -6.546 -15.877
  208   HD11  LEU  30          1HD1      LEU  30  -0.676  -7.877 -17.031
  209   HD12  LEU  30          2HD1      LEU  30  -0.940  -6.324 -17.823
  210   HD13  LEU  30          3HD1      LEU  30  -2.076  -6.894 -16.601
  211   HD21  LEU  30          3HD2      LEU  30  -0.343  -4.467 -17.092
  212   HD22  LEU  30          1HD2      LEU  30   0.762  -4.280 -15.730
  213   HD23  LEU  30          2HD2      LEU  30  -0.980  -4.208 -15.467
  Start of MODEL    5
    1    H1   CYS   1           H        CYS   1   2.114   0.177   0.548
    2    HA   CYS   1           HA       CYS   1   2.304   1.742  -1.567
    3    HB2  CYS   1           2HB      CYS   1   3.848  -0.015  -2.644
    4    HB3  CYS   1           3HB      CYS   1   4.249   0.547  -1.025
    5    H    ILE   2           H        ILE   2  -0.091   1.602  -2.181
    6    HA   ILE   2           HA       ILE   2  -1.629   1.258  -3.823
    7    HB   ILE   2           HB       ILE   2   0.721   0.041  -5.277
    8   HG12  ILE   2          2HG1      ILE   2   0.893   2.461  -4.703
    9   HG13  ILE   2          3HG1      ILE   2   0.850   2.160  -6.436
   10   HG21  ILE   2          1HG2      ILE   2  -0.765   0.551  -7.306
   11   HG22  ILE   2          2HG2      ILE   2  -1.135  -0.881  -6.347
   12   HG23  ILE   2          3HG2      ILE   2  -2.095   0.585  -6.149
   13   HD11  ILE   2          3HD1      ILE   2  -0.511   4.063  -5.914
   14   HD12  ILE   2          1HD1      ILE   2  -1.548   2.735  -6.435
   15   HD13  ILE   2          2HD1      ILE   2  -1.419   3.134  -4.721
   16    H    ALA   3           H        ALA   3  -3.230  -0.187  -3.938
   17    HA   ALA   3           HA       ALA   3  -2.961  -2.747  -2.744
   18    HB1  ALA   3           1HB      ALA   3  -5.234  -1.646  -4.393
   19    HB2  ALA   3           2HB      ALA   3  -5.301  -3.064  -3.347
   20    HB3  ALA   3           3HB      ALA   3  -5.042  -1.465  -2.649
   21    H    HIS   4           H        HIS   4  -3.521  -4.803  -3.776
   22    HA   HIS   4           HA       HIS   4  -1.885  -5.412  -5.938
   23    HB2  HIS   4           2HB      HIS   4  -4.162  -6.822  -4.600
   24    HB3  HIS   4           3HB      HIS   4  -3.497  -7.486  -6.089
   25    HD1  HIS   4           HD1      HIS   4  -1.721  -6.000  -3.067
   26    HD2  HIS   4           HD2      HIS   4  -1.896  -9.509  -5.284
   27    HE1  HIS   4           HE1      HIS   4   0.032  -7.507  -2.079
   28    H    TYR   5           H        TYR   5  -2.048  -4.947  -8.021
   29    HA   TYR   5           HA       TYR   5  -2.889  -4.324 -10.041
   30    HB2  TYR   5           2HB      TYR   5  -5.487  -5.671  -9.468
   31    HB3  TYR   5           3HB      TYR   5  -4.497  -5.715 -10.923
   32    HD1  TYR   5           HD1      TYR   5  -2.127  -6.893 -10.563
   33    HD2  TYR   5           HD2      TYR   5  -5.588  -7.584  -8.186
   34    HE1  TYR   5           HE1      TYR   5  -1.217  -9.074  -9.882
   35    HE2  TYR   5           HE2      TYR   5  -4.687  -9.766  -7.498
   36    HH   TYR   5           HH       TYR   5  -1.749 -10.647  -7.563
   37    H    GLY   6           H        GLY   6  -3.388  -2.600  -7.735
   38    HA2  GLY   6           2HA      GLY   6  -5.987  -1.407  -8.407
   39    HA3  GLY   6           3HA      GLY   6  -5.042  -1.062  -6.967
   40    H    LYS   7           H        LYS   7  -6.215   0.784  -8.911
   41    HA   LYS   7           HA       LYS   7  -4.432   1.866 -10.718
   42    HB2  LYS   7           2HB      LYS   7  -6.845   2.710  -9.387
   43    HB3  LYS   7           3HB      LYS   7  -5.723   4.059  -9.511
   44    HG2  LYS   7           2HG      LYS   7  -5.778   2.678 -12.003
   45    HG3  LYS   7           3HG      LYS   7  -7.433   3.019 -11.494
   46    HD2  LYS   7           2HD      LYS   7  -6.538   4.851 -12.833
   47    HD3  LYS   7           3HD      LYS   7  -6.849   5.376 -11.177
   48    HE2  LYS   7           2HE      LYS   7  -4.462   5.063 -10.657
   49    HE3  LYS   7           3HE      LYS   7  -4.172   4.601 -12.334
   50    HZ1  LYS   7           3HZ      LYS   7  -5.221   6.870 -12.859
   51    HZ2  LYS   7           1HZ      LYS   7  -3.626   6.831 -12.294
   52    HZ3  LYS   7           2HZ      LYS   7  -4.885   7.244 -11.244
   53    H    CYS   8           H        CYS   8  -2.993   3.666 -10.613
   54    HA   CYS   8           HA       CYS   8  -1.752   4.001  -7.961
   55    HB2  CYS   8           2HB      CYS   8  -0.355   4.350 -10.613
   56    HB3  CYS   8           3HB      CYS   8   0.376   4.225  -9.016
   57    H    ASP   9           H        ASP   9  -0.567   6.089  -7.694
   58    HA   ASP   9           HA       ASP   9  -2.290   8.263  -8.026
   59    HB2  ASP   9           2HB      ASP   9  -0.379   7.999  -6.354
   60    HB3  ASP   9           3HB      ASP   9   0.692   8.517  -7.653
   61    H    GLY  10           H        GLY  10  -0.091   6.839 -10.219
   62    HA2  GLY  10           2HA      GLY  10  -0.398   7.476 -12.567
   63    HA3  GLY  10           3HA      GLY  10  -0.428   9.149 -12.030
   64    H    ILE  11           H        ILE  11   1.496  10.204 -11.546
   65    HA   ILE  11           HA       ILE  11   3.753   9.421 -13.022
   66    HB   ILE  11           HB       ILE  11   4.942  11.245 -11.826
   67   HG12  ILE  11          2HG1      ILE  11   2.745  12.465 -10.501
   68   HG13  ILE  11          3HG1      ILE  11   2.849  10.806  -9.921
   69   HG21  ILE  11          1HG2      ILE  11   3.938  12.851 -13.077
   70   HG22  ILE  11          2HG2      ILE  11   3.113  11.447 -13.752
   71   HG23  ILE  11          3HG2      ILE  11   2.318  12.428 -12.521
   72   HD11  ILE  11          3HD1      ILE  11   4.119  12.453  -8.569
   73   HD12  ILE  11          1HD1      ILE  11   5.099  11.131  -9.202
   74   HD13  ILE  11          2HD1      ILE  11   5.165  12.721  -9.963
   75    H    ILE  12           H        ILE  12   2.674   8.465  -9.942
   76    HA   ILE  12           HA       ILE  12   5.350   7.597  -9.114
   77    HB   ILE  12           HB       ILE  12   2.755   7.576  -7.567
   78   HG12  ILE  12          2HG1      ILE  12   5.177   9.379  -7.349
   79   HG13  ILE  12          3HG1      ILE  12   3.609   9.841  -8.002
   80   HG21  ILE  12          1HG2      ILE  12   5.042   7.409  -5.899
   81   HG22  ILE  12          2HG2      ILE  12   3.749   6.229  -6.114
   82   HG23  ILE  12          3HG2      ILE  12   5.181   6.166  -7.142
   83   HD11  ILE  12          3HD1      ILE  12   3.087  10.530  -5.966
   84   HD12  ILE  12          1HD1      ILE  12   3.039   8.834  -5.484
   85   HD13  ILE  12          2HD1      ILE  12   4.519   9.770  -5.271
   86    H    ASN  13           H        ASN  13   5.843   5.732 -10.123
   87    HA   ASN  13           HA       ASN  13   3.827   3.648 -10.408
   88    HB2  ASN  13           2HB      ASN  13   6.686   3.820 -11.386
   89    HB3  ASN  13           3HB      ASN  13   5.603   2.468 -11.704
   90   HD21  ASN  13          1HD2      ASN  13   5.647   6.007 -11.957
   91   HD22  ASN  13          2HD2      ASN  13   4.873   6.076 -13.501
   92    H    GLN  14           H        GLN  14   4.787   4.352  -7.760
   93    HA   GLN  14           HA       GLN  14   6.580   2.260  -6.921
   94    HB2  GLN  14           2HB      GLN  14   6.195   4.648  -5.898
   95    HB3  GLN  14           3HB      GLN  14   4.910   3.843  -5.008
   96    HG2  GLN  14           2HG      GLN  14   6.620   3.614  -3.530
   97    HG3  GLN  14           3HG      GLN  14   6.814   2.124  -4.452
   98   HE21  GLN  14          1HE2      GLN  14   8.429   2.088  -6.124
   99   HE22  GLN  14          2HE2      GLN  14   9.831   3.087  -5.985
  100    H    CYS  15           H        CYS  15   5.099   0.600  -7.929
  101    HA   CYS  15           HA       CYS  15   2.953  -0.167  -6.065
  102    HB2  CYS  15           2HB      CYS  15   2.392   0.239  -8.516
  103    HB3  CYS  15           3HB      CYS  15   3.325  -1.211  -8.871
  104    H    CYS  16           H        CYS  16   3.832  -1.483  -4.581
  105    HA   CYS  16           HA       CYS  16   6.045  -3.072  -4.734
  106    HB2  CYS  16           2HB      CYS  16   3.478  -3.464  -3.203
  107    HB3  CYS  16           3HB      CYS  16   4.854  -4.544  -3.009
  108    H    ASP  17           H        ASP  17   2.820  -4.567  -4.853
  109    HA   ASP  17           HA       ASP  17   3.878  -6.459  -6.851
  110    HB2  ASP  17           2HB      ASP  17   1.506  -7.363  -5.415
  111    HB3  ASP  17           3HB      ASP  17   3.043  -8.182  -5.675
  112    HA   PRO  18           HA       PRO  18   2.469  -8.430  -7.551
  113    HB2  PRO  18           2HB      PRO  18   2.403  -9.065 -10.190
  114    HB3  PRO  18           3HB      PRO  18   1.006  -9.248  -9.122
  115    HG2  PRO  18           2HG      PRO  18   1.640  -7.048 -11.050
  116    HG3  PRO  18           3HG      PRO  18   0.093  -7.861 -10.749
  117    HD2  PRO  18           2HD      PRO  18   0.690  -5.433  -9.708
  118    HD3  PRO  18           3HD      PRO  18  -0.344  -6.605  -8.866
  119    H    TRP  19           H        TRP  19   3.239  -6.279 -10.294
  120    HA   TRP  19           HA       TRP  19   6.093  -6.712  -9.712
  121    HB2  TRP  19           2HB      TRP  19   4.649  -6.864 -12.335
  122    HB3  TRP  19           3HB      TRP  19   6.331  -6.343 -12.295
  123    HD1  TRP  19           HD1      TRP  19   4.290  -9.391 -12.529
  124    HE1  TRP  19           HE1      TRP  19   5.732 -11.490 -12.156
  125    HE3  TRP  19           HE3      TRP  19   8.486  -7.166 -10.638
  126    HZ2  TRP  19           HZ2      TRP  19   8.307 -12.119 -11.187
  127    HZ3  TRP  19           HZ3      TRP  19  10.395  -8.588 -10.012
  128    HH2  TRP  19           HH2      TRP  19  10.305 -11.013 -10.281
  129    H    LEU  20           H        LEU  20   4.900  -4.772 -12.351
  130    HA   LEU  20           HA       LEU  20   5.613  -2.339 -10.849
  131    HB2  LEU  20           2HB      LEU  20   6.345  -1.398 -13.047
  132    HB3  LEU  20           3HB      LEU  20   7.351  -2.700 -12.415
  133    HG   LEU  20           HG       LEU  20   5.290  -3.666 -14.227
  134   HD11  LEU  20          1HD1      LEU  20   5.394  -1.926 -15.656
  135   HD12  LEU  20          2HD1      LEU  20   6.893  -2.708 -16.157
  136   HD13  LEU  20          3HD1      LEU  20   6.940  -1.357 -15.025
  137   HD21  LEU  20          3HD2      LEU  20   7.532  -4.485 -15.317
  138   HD22  LEU  20          1HD2      LEU  20   6.951  -5.190 -13.809
  139   HD23  LEU  20          2HD2      LEU  20   8.221  -3.966 -13.778
  140    H    CYS  21           H        CYS  21   4.609  -0.344 -11.712
  141    HA   CYS  21           HA       CYS  21   1.819  -0.873 -12.395
  142    HB2  CYS  21           2HB      CYS  21   2.464   0.611 -10.454
  143    HB3  CYS  21           3HB      CYS  21   3.068   1.770 -11.634
  144    H    THR  22           H        THR  22   1.539  -1.084 -14.534
  145    HA   THR  22           HA       THR  22   2.362   1.161 -16.231
  146    HB   THR  22           HB       THR  22   2.996  -1.735 -16.696
  147    HG1  THR  22           HG1      THR  22   4.445   0.190 -15.955
  148   HG21  THR  22          3HG2      THR  22   1.789  -1.194 -18.679
  149   HG22  THR  22          1HG2      THR  22   3.503  -1.088 -19.078
  150   HG23  THR  22          2HG2      THR  22   2.569   0.382 -18.800
  151    HA   PRO  23           HA       PRO  23   1.986   2.094 -18.032
  152    HB2  PRO  23           2HB      PRO  23   0.269   4.164 -18.406
  153    HB3  PRO  23           3HB      PRO  23   0.579   2.937 -19.641
  154    HG2  PRO  23           2HG      PRO  23  -1.705   3.154 -17.718
  155    HG3  PRO  23           3HG      PRO  23  -1.729   2.737 -19.441
  156    HD2  PRO  23           2HD      PRO  23  -1.887   0.868 -17.488
  157    HD3  PRO  23           3HD      PRO  23  -1.106   0.552 -19.051
  158    HA   PRO  24           HA       PRO  24   2.499   4.324 -14.277
  159    HB2  PRO  24           2HB      PRO  24   3.324   6.774 -15.105
  160    HB3  PRO  24           3HB      PRO  24   4.341   5.332 -15.210
  161    HG2  PRO  24           2HG      PRO  24   2.703   6.653 -17.339
  162    HG3  PRO  24           3HG      PRO  24   4.346   5.994 -17.439
  163    HD2  PRO  24           2HD      PRO  24   2.179   4.650 -18.350
  164    HD3  PRO  24           3HD      PRO  24   3.598   3.826 -17.671
  165    H    ILE  25           H        ILE  25   1.006   6.551 -16.641
  166    HA   ILE  25           HA       ILE  25  -0.653   7.662 -14.506
  167    HB   ILE  25           HB       ILE  25  -0.718   8.645 -17.333
  168   HG12  ILE  25          2HG1      ILE  25   1.404   9.300 -15.278
  169   HG13  ILE  25          3HG1      ILE  25   1.659   8.458 -16.802
  170   HG21  ILE  25          1HG2      ILE  25  -2.222   9.434 -15.397
  171   HG22  ILE  25          2HG2      ILE  25  -0.781  10.266 -14.815
  172   HG23  ILE  25          3HG2      ILE  25  -1.441  10.652 -16.404
  173   HD11  ILE  25          3HD1      ILE  25   2.288  10.513 -17.468
  174   HD12  ILE  25          1HD1      ILE  25   0.555  10.708 -17.728
  175   HD13  ILE  25          2HD1      ILE  25   1.302  11.330 -16.256
  176    H    ILE  26           H        ILE  26  -2.614   6.874 -14.175
  177    HA   ILE  26           HA       ILE  26  -4.694   6.014 -14.526
  178    HB   ILE  26           HB       ILE  26  -4.290   6.507 -17.471
  179   HG12  ILE  26          2HG1      ILE  26  -3.748   8.571 -16.320
  180   HG13  ILE  26          3HG1      ILE  26  -5.335   8.727 -17.065
  181   HG21  ILE  26          1HG2      ILE  26  -6.914   7.038 -16.450
  182   HG22  ILE  26          2HG2      ILE  26  -6.408   5.880 -17.679
  183   HG23  ILE  26          3HG2      ILE  26  -6.401   5.418 -15.977
  184   HD11  ILE  26          3HD1      ILE  26  -4.694   8.311 -14.162
  185   HD12  ILE  26          1HD1      ILE  26  -5.472   9.701 -14.919
  186   HD13  ILE  26          2HD1      ILE  26  -6.320   8.157 -14.829
  187    H    GLY  27           H        GLY  27  -3.175   4.065 -14.001
  188    HA2  GLY  27           2HA      GLY  27  -4.002   1.931 -15.769
  189    HA3  GLY  27           3HA      GLY  27  -2.264   2.183 -15.713
  190    H    PHE  28           H        PHE  28  -2.870  -0.209 -14.974
  191    HA   PHE  28           HA       PHE  28  -2.734  -0.161 -12.036
  192    HB2  PHE  28           2HB      PHE  28  -4.041  -2.449 -13.470
  193    HB3  PHE  28           3HB      PHE  28  -4.228  -1.934 -11.796
  194    HD1  PHE  28           HD2      PHE  28  -5.196  -1.263 -15.274
  195    HD2  PHE  28           HD1      PHE  28  -5.810  -0.255 -11.184
  196    HE1  PHE  28           HE2      PHE  28  -7.235  -0.031 -15.887
  197    HE2  PHE  28           HE1      PHE  28  -7.852   0.977 -11.791
  198    HZ   PHE  28           HZ       PHE  28  -8.566   1.091 -14.145
  199    H    CYS  29           H        CYS  29  -1.258  -1.511 -11.104
  200    HA   CYS  29           HA       CYS  29   0.836  -2.508 -12.780
  201    HB2  CYS  29           2HB      CYS  29   1.829  -3.280 -10.611
  202    HB3  CYS  29           3HB      CYS  29   1.440  -1.564 -10.656
  203    H    LEU  30           H        LEU  30   1.114  -4.494 -13.567
  204    HA   LEU  30           HA       LEU  30  -0.300  -6.743 -12.333
  205    HB2  LEU  30           2HB      LEU  30  -0.756  -7.545 -14.729
  206    HB3  LEU  30           3HB      LEU  30  -1.803  -6.308 -14.037
  207    HG   LEU  30           HG       LEU  30  -0.382  -4.611 -15.278
  208   HD11  LEU  30          1HD1      LEU  30   0.946  -7.087 -16.055
  209   HD12  LEU  30          2HD1      LEU  30   1.513  -5.419 -16.135
  210   HD13  LEU  30          3HD1      LEU  30   0.500  -6.068 -17.424
  211   HD21  LEU  30          3HD2      LEU  30  -2.193  -6.610 -16.568
  212   HD22  LEU  30          1HD2      LEU  30  -1.451  -5.334 -17.533
  213   HD23  LEU  30          2HD2      LEU  30  -2.492  -4.917 -16.171
  Start of MODEL    6
    1    H1   CYS   1           H        CYS   1   1.818   0.750   0.782
    2    HA   CYS   1           HA       CYS   1   2.191   1.680  -1.389
    3    HB2  CYS   1           2HB      CYS   1   3.806  -0.009  -2.433
    4    HB3  CYS   1           3HB      CYS   1   4.165   0.532  -0.796
    5    H    ILE   2           H        ILE   2  -0.220   1.421  -1.966
    6    HA   ILE   2           HA       ILE   2  -1.753   0.997  -3.593
    7    HB   ILE   2           HB       ILE   2   0.643  -0.105  -5.064
    8   HG12  ILE   2          2HG1      ILE   2   0.669   2.332  -4.488
    9   HG13  ILE   2          3HG1      ILE   2   0.674   2.009  -6.219
   10   HG21  ILE   2          1HG2      ILE   2  -2.208   0.277  -5.906
   11   HG22  ILE   2          2HG2      ILE   2  -0.893   0.328  -7.079
   12   HG23  ILE   2          3HG2      ILE   2  -1.164  -1.128  -6.121
   13   HD11  ILE   2          3HD1      ILE   2  -0.807   3.870  -5.534
   14   HD12  ILE   2          1HD1      ILE   2  -1.640   2.574  -6.392
   15   HD13  ILE   2          2HD1      ILE   2  -1.785   2.709  -4.639
   16    H    ALA   3           H        ALA   3  -3.282  -0.526  -3.687
   17    HA   ALA   3           HA       ALA   3  -2.837  -3.085  -2.518
   18    HB1  ALA   3           1HB      ALA   3  -5.187  -1.741  -3.791
   19    HB2  ALA   3           2HB      ALA   3  -5.248  -3.456  -3.382
   20    HB3  ALA   3           3HB      ALA   3  -4.964  -2.258  -2.119
   21    H    HIS   4           H        HIS   4  -3.362  -5.146  -3.557
   22    HA   HIS   4           HA       HIS   4  -1.812  -5.689  -5.777
   23    HB2  HIS   4           2HB      HIS   4  -4.137  -7.150  -4.547
   24    HB3  HIS   4           3HB      HIS   4  -3.310  -7.785  -5.966
   25    HD1  HIS   4           HD1      HIS   4  -1.647  -6.144  -2.989
   26    HD2  HIS   4           HD2      HIS   4  -1.961  -9.864  -4.812
   27    HE1  HIS   4           HE1      HIS   4  -0.004  -7.622  -1.788
   28    H    TYR   5           H        TYR   5  -2.007  -5.162  -7.842
   29    HA   TYR   5           HA       TYR   5  -2.879  -4.465  -9.825
   30    HB2  TYR   5           2HB      TYR   5  -5.444  -5.882  -9.239
   31    HB3  TYR   5           3HB      TYR   5  -4.517  -5.820 -10.734
   32    HD1  TYR   5           HD1      TYR   5  -2.084  -6.936 -10.502
   33    HD2  TYR   5           HD2      TYR   5  -5.468  -7.885  -8.104
   34    HE1  TYR   5           HE1      TYR   5  -1.095  -9.128  -9.984
   35    HE2  TYR   5           HE2      TYR   5  -4.488 -10.079  -7.578
   36    HH   TYR   5           HH       TYR   5  -1.930 -11.403  -9.274
   37    H    GLY   6           H        GLY   6  -3.304  -2.767  -7.540
   38    HA2  GLY   6           2HA      GLY   6  -5.961  -1.623  -8.048
   39    HA3  GLY   6           3HA      GLY   6  -4.931  -1.254  -6.673
   40    H    LYS   7           H        LYS   7  -6.261   0.566  -8.533
   41    HA   LYS   7           HA       LYS   7  -4.625   1.671 -10.462
   42    HB2  LYS   7           2HB      LYS   7  -6.962   2.467  -8.987
   43    HB3  LYS   7           3HB      LYS   7  -5.873   3.839  -9.150
   44    HG2  LYS   7           2HG      LYS   7  -6.034   2.502 -11.659
   45    HG3  LYS   7           3HG      LYS   7  -7.668   2.789 -11.056
   46    HD2  LYS   7           2HD      LYS   7  -6.902   4.669 -12.403
   47    HD3  LYS   7           3HD      LYS   7  -7.121   5.156 -10.720
   48    HE2  LYS   7           2HE      LYS   7  -4.702   4.897 -10.354
   49    HE3  LYS   7           3HE      LYS   7  -4.503   4.464 -12.052
   50    HZ1  LYS   7           3HZ      LYS   7  -3.979   6.777 -11.717
   51    HZ2  LYS   7           1HZ      LYS   7  -5.490   7.065 -11.011
   52    HZ3  LYS   7           2HZ      LYS   7  -5.386   6.654 -12.648
   53    H    CYS   8           H        CYS   8  -3.177   3.448 -10.470
   54    HA   CYS   8           HA       CYS   8  -1.816   3.880  -7.891
   55    HB2  CYS   8           2HB      CYS   8  -0.505   4.073 -10.602
   56    HB3  CYS   8           3HB      CYS   8   0.275   4.000  -9.025
   57    H    ASP   9           H        ASP   9  -0.635   5.961  -7.739
   58    HA   ASP   9           HA       ASP   9  -2.336   8.135  -8.183
   59    HB2  ASP   9           2HB      ASP   9  -0.255   7.802  -6.582
   60    HB3  ASP   9           3HB      ASP   9   0.603   8.589  -7.904
   61    H    GLY  10           H        GLY  10  -0.203   6.553 -10.312
   62    HA2  GLY  10           2HA      GLY  10  -0.405   7.038 -12.675
   63    HA3  GLY  10           3HA      GLY  10  -0.555   8.739 -12.260
   64    H    ILE  11           H        ILE  11   1.294   9.936 -11.748
   65    HA   ILE  11           HA       ILE  11   3.614   9.285 -13.164
   66    HB   ILE  11           HB       ILE  11   4.685  11.163 -11.970
   67   HG12  ILE  11          2HG1      ILE  11   2.365  12.131 -10.568
   68   HG13  ILE  11          3HG1      ILE  11   2.788  10.528  -9.977
   69   HG21  ILE  11          1HG2      ILE  11   2.573  12.777 -12.484
   70   HG22  ILE  11          2HG2      ILE  11   3.645  12.118 -13.719
   71   HG23  ILE  11          3HG2      ILE  11   2.108  11.325 -13.371
   72   HD11  ILE  11          3HD1      ILE  11   4.763  12.779 -10.203
   73   HD12  ILE  11          1HD1      ILE  11   3.825  12.442  -8.749
   74   HD13  ILE  11          2HD1      ILE  11   4.961  11.241  -9.363
   75    H    ILE  12           H        ILE  12   2.574   8.317 -10.050
   76    HA   ILE  12           HA       ILE  12   5.279   7.539  -9.240
   77    HB   ILE  12           HB       ILE  12   2.735   7.279  -7.640
   78   HG12  ILE  12          2HG1      ILE  12   4.796   9.494  -7.598
   79   HG13  ILE  12          3HG1      ILE  12   3.154   9.634  -8.216
   80   HG21  ILE  12          1HG2      ILE  12   5.219   7.611  -6.191
   81   HG22  ILE  12          2HG2      ILE  12   3.979   6.368  -6.034
   82   HG23  ILE  12          3HG2      ILE  12   5.253   6.195  -7.241
   83   HD11  ILE  12          3HD1      ILE  12   3.033  10.579  -6.107
   84   HD12  ILE  12          1HD1      ILE  12   2.434   8.940  -5.851
   85   HD13  ILE  12          2HD1      ILE  12   4.085   9.358  -5.391
   86    H    ASN  13           H        ASN  13   5.850   5.686 -10.223
   87    HA   ASN  13           HA       ASN  13   3.920   3.536 -10.554
   88    HB2  ASN  13           2HB      ASN  13   6.817   3.778 -11.393
   89    HB3  ASN  13           3HB      ASN  13   5.787   2.396 -11.753
   90   HD21  ASN  13          1HD2      ASN  13   5.778   5.931 -12.045
   91   HD22  ASN  13          2HD2      ASN  13   5.069   5.969 -13.621
   92    H    GLN  14           H        GLN  14   4.757   4.300  -7.870
   93    HA   GLN  14           HA       GLN  14   6.534   2.228  -6.940
   94    HB2  GLN  14           2HB      GLN  14   5.111   4.536  -5.729
   95    HB3  GLN  14           3HB      GLN  14   5.517   3.200  -4.661
   96    HG2  GLN  14           2HG      GLN  14   7.234   4.914  -4.620
   97    HG3  GLN  14           3HG      GLN  14   7.860   3.401  -5.272
   98   HE21  GLN  14          1HE2      GLN  14   8.166   3.237  -7.551
   99   HE22  GLN  14          2HE2      GLN  14   8.446   4.654  -8.499
  100    H    CYS  15           H        CYS  15   5.077   0.552  -7.953
  101    HA   CYS  15           HA       CYS  15   2.873  -0.166  -6.138
  102    HB2  CYS  15           2HB      CYS  15   2.433   0.186  -8.643
  103    HB3  CYS  15           3HB      CYS  15   3.310  -1.321  -8.886
  104    H    CYS  16           H        CYS  16   3.689  -1.459  -4.601
  105    HA   CYS  16           HA       CYS  16   5.903  -3.057  -4.650
  106    HB2  CYS  16           2HB      CYS  16   3.303  -3.305  -3.166
  107    HB3  CYS  16           3HB      CYS  16   4.566  -4.514  -2.962
  108    H    ASP  17           H        ASP  17   2.632  -4.439  -4.959
  109    HA   ASP  17           HA       ASP  17   3.751  -6.406  -6.849
  110    HB2  ASP  17           2HB      ASP  17   1.654  -7.762  -5.873
  111    HB3  ASP  17           3HB      ASP  17   3.254  -7.833  -5.139
  112    HA   PRO  18           HA       PRO  18   2.401  -8.368  -7.602
  113    HB2  PRO  18           2HB      PRO  18   2.419  -8.985 -10.246
  114    HB3  PRO  18           3HB      PRO  18   0.996  -9.197  -9.219
  115    HG2  PRO  18           2HG      PRO  18   1.651  -6.974 -11.114
  116    HG3  PRO  18           3HG      PRO  18   0.108  -7.811 -10.862
  117    HD2  PRO  18           2HD      PRO  18   0.640  -5.382  -9.789
  118    HD3  PRO  18           3HD      PRO  18  -0.400  -6.575  -8.984
  119    H    TRP  19           H        TRP  19   3.218  -6.171 -10.294
  120    HA   TRP  19           HA       TRP  19   6.059  -6.569  -9.636
  121    HB2  TRP  19           2HB      TRP  19   4.757  -6.575 -12.357
  122    HB3  TRP  19           3HB      TRP  19   6.483  -6.302 -12.137
  123    HD1  TRP  19           HD1      TRP  19   3.995  -9.027 -12.532
  124    HE1  TRP  19           HE1      TRP  19   5.112 -11.316 -12.162
  125    HE3  TRP  19           HE3      TRP  19   8.426  -7.454 -10.525
  126    HZ2  TRP  19           HZ2      TRP  19   7.548 -12.322 -11.153
  127    HZ3  TRP  19           HZ3      TRP  19  10.096  -9.144  -9.883
  128    HH2  TRP  19           HH2      TRP  19   9.664 -11.527 -10.192
  129    H    LEU  20           H        LEU  20   4.895  -4.635 -12.297
  130    HA   LEU  20           HA       LEU  20   5.506  -2.196 -10.762
  131    HB2  LEU  20           2HB      LEU  20   6.263  -1.260 -13.003
  132    HB3  LEU  20           3HB      LEU  20   7.330  -2.409 -12.199
  133    HG   LEU  20           HG       LEU  20   5.428  -3.428 -14.254
  134   HD11  LEU  20          1HD1      LEU  20   7.821  -1.714 -14.777
  135   HD12  LEU  20          2HD1      LEU  20   6.241  -1.702 -15.560
  136   HD13  LEU  20          3HD1      LEU  20   7.382  -3.004 -15.897
  137   HD21  LEU  20          3HD2      LEU  20   6.639  -5.266 -13.977
  138   HD22  LEU  20          1HD2      LEU  20   7.568  -4.441 -12.725
  139   HD23  LEU  20          2HD2      LEU  20   8.113  -4.395 -14.402
  140    H    CYS  21           H        CYS  21   4.499  -0.223 -11.649
  141    HA   CYS  21           HA       CYS  21   1.759  -0.800 -12.469
  142    HB2  CYS  21           2HB      CYS  21   2.472   0.770 -10.524
  143    HB3  CYS  21           3HB      CYS  21   2.806   1.935 -11.802
  144    H    THR  22           H        THR  22   1.565  -1.025 -14.615
  145    HA   THR  22           HA       THR  22   2.432   1.216 -16.295
  146    HB   THR  22           HB       THR  22   3.149  -1.667 -16.683
  147    HG1  THR  22           HG1      THR  22   4.651  -0.037 -15.879
  148   HG21  THR  22          3HG2      THR  22   1.970  -1.220 -18.709
  149   HG22  THR  22          1HG2      THR  22   3.690  -1.085 -19.071
  150   HG23  THR  22          2HG2      THR  22   2.715   0.370 -18.864
  151    HA   PRO  23           HA       PRO  23   2.145   2.089 -18.159
  152    HB2  PRO  23           2HB      PRO  23   0.441   4.139 -18.671
  153    HB3  PRO  23           3HB      PRO  23   0.810   2.878 -19.854
  154    HG2  PRO  23           2HG      PRO  23  -1.558   3.142 -18.042
  155    HG3  PRO  23           3HG      PRO  23  -1.504   2.674 -19.751
  156    HD2  PRO  23           2HD      PRO  23  -1.744   0.864 -17.752
  157    HD3  PRO  23           3HD      PRO  23  -0.893   0.505 -19.268
  158    HA   PRO  24           HA       PRO  24   2.483   4.432 -14.453
  159    HB2  PRO  24           2HB      PRO  24   3.338   6.860 -15.316
  160    HB3  PRO  24           3HB      PRO  24   4.362   5.419 -15.332
  161    HG2  PRO  24           2HG      PRO  24   2.818   6.670 -17.571
  162    HG3  PRO  24           3HG      PRO  24   4.466   6.015 -17.577
  163    HD2  PRO  24           2HD      PRO  24   2.346   4.635 -18.544
  164    HD3  PRO  24           3HD      PRO  24   3.735   3.838 -17.777
  165    H    ILE  25           H        ILE  25   1.734   7.282 -16.318
  166    HA   ILE  25           HA       ILE  25  -0.114   8.311 -14.525
  167    HB   ILE  25           HB       ILE  25  -0.154   8.894 -17.482
  168   HG12  ILE  25          2HG1      ILE  25   1.415  10.814 -16.151
  169   HG13  ILE  25          3HG1      ILE  25   1.989   9.251 -15.581
  170   HG21  ILE  25          1HG2      ILE  25  -0.961  10.426 -15.025
  171   HG22  ILE  25          2HG2      ILE  25  -0.732  11.193 -16.596
  172   HG23  ILE  25          3HG2      ILE  25  -1.964   9.948 -16.394
  173   HD11  ILE  25          3HD1      ILE  25   1.816  10.186 -18.433
  174   HD12  ILE  25          1HD1      ILE  25   3.276   9.916 -17.483
  175   HD13  ILE  25          2HD1      ILE  25   2.257   8.551 -17.941
  176    H    ILE  26           H        ILE  26  -1.883   7.233 -13.899
  177    HA   ILE  26           HA       ILE  26  -3.964   6.312 -13.969
  178    HB   ILE  26           HB       ILE  26  -4.040   7.085 -16.884
  179   HG12  ILE  26          2HG1      ILE  26  -3.446   9.017 -15.451
  180   HG13  ILE  26          3HG1      ILE  26  -5.036   9.192 -16.185
  181   HG21  ILE  26          1HG2      ILE  26  -6.027   6.133 -14.902
  182   HG22  ILE  26          2HG2      ILE  26  -6.549   7.359 -16.056
  183   HG23  ILE  26          3HG2      ILE  26  -5.912   5.819 -16.633
  184   HD11  ILE  26          3HD1      ILE  26  -5.093   9.927 -13.895
  185   HD12  ILE  26          1HD1      ILE  26  -6.060   8.463 -14.074
  186   HD13  ILE  26          2HD1      ILE  26  -4.454   8.376 -13.349
  187    H    GLY  27           H        GLY  27  -3.009   4.237 -13.648
  188    HA2  GLY  27           2HA      GLY  27  -3.729   2.355 -15.686
  189    HA3  GLY  27           3HA      GLY  27  -1.986   2.507 -15.514
  190    H    PHE  28           H        PHE  28  -2.644   0.098 -15.046
  191    HA   PHE  28           HA       PHE  28  -2.768  -0.154 -12.118
  192    HB2  PHE  28           2HB      PHE  28  -3.966  -2.226 -13.941
  193    HB3  PHE  28           3HB      PHE  28  -4.237  -1.988 -12.217
  194    HD1  PHE  28           HD2      PHE  28  -4.980  -0.679 -15.578
  195    HD2  PHE  28           HD1      PHE  28  -5.895  -0.490 -11.425
  196    HE1  PHE  28           HE2      PHE  28  -6.985   0.654 -16.083
  197    HE2  PHE  28           HE1      PHE  28  -7.902   0.842 -11.924
  198    HZ   PHE  28           HZ       PHE  28  -8.449   1.417 -14.256
  199    H    CYS  29           H        CYS  29  -1.314  -1.512 -11.208
  200    HA   CYS  29           HA       CYS  29   0.842  -2.457 -12.857
  201    HB2  CYS  29           2HB      CYS  29   1.791  -3.246 -10.671
  202    HB3  CYS  29           3HB      CYS  29   1.413  -1.527 -10.720
  203    H    LEU  30           H        LEU  30   1.147  -4.443 -13.639
  204    HA   LEU  30           HA       LEU  30  -0.297  -6.696 -12.449
  205    HB2  LEU  30           2HB      LEU  30  -0.645  -7.466 -14.905
  206    HB3  LEU  30           3HB      LEU  30  -1.770  -6.327 -14.169
  207    HG   LEU  30           HG       LEU  30  -0.493  -4.485 -15.306
  208   HD11  LEU  30          1HD1      LEU  30   0.654  -5.689 -17.455
  209   HD12  LEU  30          2HD1      LEU  30   1.092  -6.798 -16.156
  210   HD13  LEU  30          3HD1      LEU  30   1.532  -5.094 -16.046
  211   HD21  LEU  30          3HD2      LEU  30  -1.326  -5.404 -17.677
  212   HD22  LEU  30          1HD2      LEU  30  -2.429  -4.821 -16.430
  213   HD23  LEU  30          2HD2      LEU  30  -2.149  -6.552 -16.619
  Start of MODEL    7
    1    H1   CYS   1           H        CYS   1   1.620  -0.546   0.808
    2    HA   CYS   1           HA       CYS   1   2.405   0.970  -1.338
    3    HB2  CYS   1           2HB      CYS   1   3.481  -1.136  -0.083
    4    HB3  CYS   1           3HB      CYS   1   2.916  -1.953  -1.537
    5    H    ILE   2           H        ILE   2  -0.229   0.937  -1.819
    6    HA   ILE   2           HA       ILE   2  -1.754   0.716  -3.494
    7    HB   ILE   2           HB       ILE   2   0.620  -0.360  -5.016
    8   HG12  ILE   2          2HG1      ILE   2   0.711   2.025  -4.247
    9   HG13  ILE   2          3HG1      ILE   2   0.752   1.833  -5.996
   10   HG21  ILE   2          1HG2      ILE   2  -2.210   0.136  -5.839
   11   HG22  ILE   2          2HG2      ILE   2  -0.899   0.326  -7.002
   12   HG23  ILE   2          3HG2      ILE   2  -1.159  -1.229  -6.213
   13   HD11  ILE   2          3HD1      ILE   2  -1.939   2.157  -4.933
   14   HD12  ILE   2          1HD1      ILE   2  -0.878   3.530  -4.614
   15   HD13  ILE   2          2HD1      ILE   2  -1.135   2.980  -6.270
   16    H    ALA   3           H        ALA   3  -3.348  -0.722  -3.716
   17    HA   ALA   3           HA       ALA   3  -3.079  -3.363  -2.727
   18    HB1  ALA   3           1HB      ALA   3  -5.406  -3.646  -3.361
   19    HB2  ALA   3           2HB      ALA   3  -5.168  -2.085  -2.576
   20    HB3  ALA   3           3HB      ALA   3  -5.340  -2.173  -4.329
   21    H    HIS   4           H        HIS   4  -3.558  -5.344  -3.899
   22    HA   HIS   4           HA       HIS   4  -1.906  -5.792  -6.070
   23    HB2  HIS   4           2HB      HIS   4  -4.297  -7.296  -5.028
   24    HB3  HIS   4           3HB      HIS   4  -3.387  -7.871  -6.422
   25    HD1  HIS   4           HD1      HIS   4  -1.858  -6.347  -3.319
   26    HD2  HIS   4           HD2      HIS   4  -2.157 -10.018  -5.242
   27    HE1  HIS   4           HE1      HIS   4  -0.303  -7.885  -2.078
   28    H    TYR   5           H        TYR   5  -2.010  -5.165  -8.114
   29    HA   TYR   5           HA       TYR   5  -2.794  -4.369 -10.097
   30    HB2  TYR   5           2HB      TYR   5  -5.397  -5.775  -9.708
   31    HB3  TYR   5           3HB      TYR   5  -4.376  -5.681 -11.139
   32    HD1  TYR   5           HD1      TYR   5  -2.002  -6.868 -10.833
   33    HD2  TYR   5           HD2      TYR   5  -5.506  -7.795  -8.604
   34    HE1  TYR   5           HE1      TYR   5  -1.085  -9.093 -10.330
   35    HE2  TYR   5           HE2      TYR   5  -4.597 -10.023  -8.093
   36    HH   TYR   5           HH       TYR   5  -1.446 -10.845  -8.424
   37    H    GLY   6           H        GLY   6  -3.283  -2.757  -7.781
   38    HA2  GLY   6           2HA      GLY   6  -5.929  -1.594  -8.292
   39    HA3  GLY   6           3HA      GLY   6  -4.904  -1.252  -6.906
   40    H    LYS   7           H        LYS   7  -6.233   0.591  -8.759
   41    HA   LYS   7           HA       LYS   7  -4.583   1.741 -10.647
   42    HB2  LYS   7           2HB      LYS   7  -6.934   2.507  -9.171
   43    HB3  LYS   7           3HB      LYS   7  -5.851   3.884  -9.325
   44    HG2  LYS   7           2HG      LYS   7  -6.002   2.562 -11.841
   45    HG3  LYS   7           3HG      LYS   7  -7.639   2.835 -11.239
   46    HD2  LYS   7           2HD      LYS   7  -6.882   4.728 -12.573
   47    HD3  LYS   7           3HD      LYS   7  -7.108   5.203 -10.887
   48    HE2  LYS   7           2HE      LYS   7  -4.679   4.934 -10.526
   49    HE3  LYS   7           3HE      LYS   7  -4.489   4.555 -12.237
   50    HZ1  LYS   7           3HZ      LYS   7  -3.979   6.860 -11.837
   51    HZ2  LYS   7           1HZ      LYS   7  -5.484   7.115 -11.107
   52    HZ3  LYS   7           2HZ      LYS   7  -5.395   6.757 -12.757
   53    H    CYS   8           H        CYS   8  -3.149   3.531 -10.609
   54    HA   CYS   8           HA       CYS   8  -1.811   3.918  -8.011
   55    HB2  CYS   8           2HB      CYS   8  -0.481   4.187 -10.705
   56    HB3  CYS   8           3HB      CYS   8   0.286   4.076  -9.124
   57    H    ASP   9           H        ASP   9  -0.585   6.006  -7.870
   58    HA   ASP   9           HA       ASP   9  -2.315   8.180  -8.230
   59    HB2  ASP   9           2HB      ASP   9   0.673   8.431  -7.911
   60    HB3  ASP   9           3HB      ASP   9  -0.577   9.542  -7.357
   61    H    GLY  10           H        GLY  10  -0.232   6.641 -10.431
   62    HA2  GLY  10           2HA      GLY  10  -0.454   7.160 -12.777
   63    HA3  GLY  10           3HA      GLY  10  -0.639   8.851 -12.338
   64    H    ILE  11           H        ILE  11   1.187  10.087 -11.847
   65    HA   ILE  11           HA       ILE  11   3.502   9.507 -13.298
   66    HB   ILE  11           HB       ILE  11   4.537  11.407 -12.153
   67   HG12  ILE  11          2HG1      ILE  11   2.364  12.346 -10.574
   68   HG13  ILE  11          3HG1      ILE  11   2.701  10.690 -10.082
   69   HG21  ILE  11          1HG2      ILE  11   1.646  11.902 -12.853
   70   HG22  ILE  11          2HG2      ILE  11   2.925  13.115 -12.810
   71   HG23  ILE  11          3HG2      ILE  11   2.984  11.812 -13.997
   72   HD11  ILE  11          3HD1      ILE  11   4.864  12.752 -10.316
   73   HD12  ILE  11          1HD1      ILE  11   3.911  12.542  -8.847
   74   HD13  ILE  11          2HD1      ILE  11   4.896  11.212  -9.457
   75    H    ILE  12           H        ILE  12   2.539   8.519 -10.155
   76    HA   ILE  12           HA       ILE  12   5.272   7.763  -9.420
   77    HB   ILE  12           HB       ILE  12   2.754   7.561  -7.765
   78   HG12  ILE  12          2HG1      ILE  12   4.952   9.639  -7.681
   79   HG13  ILE  12          3HG1      ILE  12   3.338   9.898  -8.334
   80   HG21  ILE  12          1HG2      ILE  12   3.968   6.427  -6.296
   81   HG22  ILE  12          2HG2      ILE  12   5.319   6.431  -7.429
   82   HG23  ILE  12          3HG2      ILE  12   5.159   7.727  -6.244
   83   HD11  ILE  12          3HD1      ILE  12   2.992  10.745  -6.278
   84   HD12  ILE  12          1HD1      ILE  12   2.679   9.053  -5.891
   85   HD13  ILE  12          2HD1      ILE  12   4.255   9.762  -5.537
   86    H    ASN  13           H        ASN  13   5.819   5.912 -10.425
   87    HA   ASN  13           HA       ASN  13   3.892   3.744 -10.660
   88    HB2  ASN  13           2HB      ASN  13   6.741   3.995 -11.648
   89    HB3  ASN  13           3HB      ASN  13   5.684   2.624 -11.970
   90   HD21  ASN  13          1HD2      ASN  13   5.720   6.159 -12.243
   91   HD22  ASN  13          2HD2      ASN  13   4.921   6.219 -13.774
   92    H    GLN  14           H        GLN  14   4.871   4.527  -8.028
   93    HA   GLN  14           HA       GLN  14   6.716   2.472  -7.193
   94    HB2  GLN  14           2HB      GLN  14   6.373   4.876  -6.215
   95    HB3  GLN  14           3HB      GLN  14   5.089   4.113  -5.286
   96    HG2  GLN  14           2HG      GLN  14   6.792   3.865  -3.817
   97    HG3  GLN  14           3HG      GLN  14   7.009   2.380  -4.741
   98   HE21  GLN  14          1HE2      GLN  14   8.581   2.445  -6.499
   99   HE22  GLN  14          2HE2      GLN  14   9.984   3.437  -6.325
  100    H    CYS  15           H        CYS  15   5.231   0.772  -8.106
  101    HA   CYS  15           HA       CYS  15   3.113   0.059  -6.190
  102    HB2  CYS  15           2HB      CYS  15   2.597   0.344  -8.695
  103    HB3  CYS  15           3HB      CYS  15   3.470  -1.169  -8.917
  104    H    CYS  16           H        CYS  16   4.007  -1.180  -4.651
  105    HA   CYS  16           HA       CYS  16   6.240  -2.752  -4.746
  106    HB2  CYS  16           2HB      CYS  16   3.743  -2.841  -3.119
  107    HB3  CYS  16           3HB      CYS  16   4.845  -4.209  -3.012
  108    H    ASP  17           H        ASP  17   2.971  -4.166  -4.903
  109    HA   ASP  17           HA       ASP  17   4.043  -6.185  -6.764
  110    HB2  ASP  17           2HB      ASP  17   3.147  -7.875  -5.561
  111    HB3  ASP  17           3HB      ASP  17   3.151  -6.709  -4.241
  112    HA   PRO  18           HA       PRO  18   2.697  -8.168  -7.434
  113    HB2  PRO  18           2HB      PRO  18   2.650  -8.849 -10.062
  114    HB3  PRO  18           3HB      PRO  18   1.257  -9.049  -8.993
  115    HG2  PRO  18           2HG      PRO  18   1.839  -6.866 -10.957
  116    HG3  PRO  18           3HG      PRO  18   0.312  -7.712 -10.644
  117    HD2  PRO  18           2HD      PRO  18   0.847  -5.253  -9.644
  118    HD3  PRO  18           3HD      PRO  18  -0.159  -6.436  -8.783
  119    H    TRP  19           H        TRP  19   3.419  -6.026 -10.197
  120    HA   TRP  19           HA       TRP  19   6.281  -6.392  -9.613
  121    HB2  TRP  19           2HB      TRP  19   4.893  -6.453 -12.290
  122    HB3  TRP  19           3HB      TRP  19   6.621  -6.147 -12.134
  123    HD1  TRP  19           HD1      TRP  19   4.308  -8.905 -12.688
  124    HE1  TRP  19           HE1      TRP  19   5.424 -11.175 -12.212
  125    HE3  TRP  19           HE3      TRP  19   8.446  -7.263 -10.175
  126    HZ2  TRP  19           HZ2      TRP  19   7.750 -12.141 -10.939
  127    HZ3  TRP  19           HZ3      TRP  19  10.068  -8.925  -9.360
  128    HH2  TRP  19           HH2      TRP  19   9.725 -11.313  -9.735
  129    H    LEU  20           H        LEU  20   5.026  -4.501 -12.263
  130    HA   LEU  20           HA       LEU  20   5.638  -2.036 -10.773
  131    HB2  LEU  20           2HB      LEU  20   6.390  -1.124 -13.023
  132    HB3  LEU  20           3HB      LEU  20   7.464  -2.261 -12.210
  133    HG   LEU  20           HG       LEU  20   5.562  -3.310 -14.250
  134   HD11  LEU  20          1HD1      LEU  20   6.389  -1.517 -15.510
  135   HD12  LEU  20          2HD1      LEU  20   7.416  -2.883 -15.947
  136   HD13  LEU  20          3HD1      LEU  20   8.006  -1.662 -14.819
  137   HD21  LEU  20          3HD2      LEU  20   7.686  -4.311 -12.712
  138   HD22  LEU  20          1HD2      LEU  20   8.270  -4.243 -14.375
  139   HD23  LEU  20          2HD2      LEU  20   6.797  -5.136 -13.994
  140    H    CYS  21           H        CYS  21   4.610  -0.086 -11.688
  141    HA   CYS  21           HA       CYS  21   1.874  -0.699 -12.485
  142    HB2  CYS  21           2HB      CYS  21   2.555   0.913 -10.583
  143    HB3  CYS  21           3HB      CYS  21   2.937   2.048 -11.874
  144    H    THR  22           H        THR  22   1.663  -0.981 -14.622
  145    HA   THR  22           HA       THR  22   2.504   1.219 -16.367
  146    HB   THR  22           HB       THR  22   3.207  -1.679 -16.719
  147    HG1  THR  22           HG1      THR  22   4.691  -0.009 -15.873
  148   HG21  THR  22          3HG2      THR  22   3.802  -1.103 -19.088
  149   HG22  THR  22          1HG2      THR  22   2.876   0.385 -18.895
  150   HG23  THR  22          2HG2      THR  22   2.070  -1.178 -18.765
  151    HA   PRO  23           HA       PRO  23   2.181   2.067 -18.225
  152    HB2  PRO  23           2HB      PRO  23   0.441   4.084 -18.749
  153    HB3  PRO  23           3HB      PRO  23   0.821   2.814 -19.919
  154    HG2  PRO  23           2HG      PRO  23  -1.537   3.063 -18.091
  155    HG3  PRO  23           3HG      PRO  23  -1.489   2.575 -19.795
  156    HD2  PRO  23           2HD      PRO  23  -1.685   0.786 -17.772
  157    HD3  PRO  23           3HD      PRO  23  -0.840   0.422 -19.290
  158    HA   PRO  24           HA       PRO  24   2.511   4.462 -14.552
  159    HB2  PRO  24           2HB      PRO  24   3.318   6.893 -15.453
  160    HB3  PRO  24           3HB      PRO  24   4.366   5.470 -15.460
  161    HG2  PRO  24           2HG      PRO  24   2.782   6.666 -17.700
  162    HG3  PRO  24           3HG      PRO  24   4.440   6.039 -17.713
  163    HD2  PRO  24           2HD      PRO  24   2.336   4.612 -18.644
  164    HD3  PRO  24           3HD      PRO  24   3.744   3.848 -17.880
  165    H    ILE  25           H        ILE  25   1.702   7.280 -16.440
  166    HA   ILE  25           HA       ILE  25  -0.158   8.286 -14.641
  167    HB   ILE  25           HB       ILE  25  -0.194   8.864 -17.600
  168   HG12  ILE  25          2HG1      ILE  25   1.321  10.815 -16.235
  169   HG13  ILE  25          3HG1      ILE  25   1.931   9.254 -15.696
  170   HG21  ILE  25          1HG2      ILE  25  -1.077  10.363 -15.151
  171   HG22  ILE  25          2HG2      ILE  25  -0.814  11.160 -16.702
  172   HG23  ILE  25          3HG2      ILE  25  -2.033   9.893 -16.557
  173   HD11  ILE  25          3HD1      ILE  25   2.984  10.380 -17.758
  174   HD12  ILE  25          1HD1      ILE  25   2.627   8.654 -17.815
  175   HD13  ILE  25          2HD1      ILE  25   1.548   9.805 -18.605
  176    H    ILE  26           H        ILE  26  -1.929   7.218 -14.019
  177    HA   ILE  26           HA       ILE  26  -4.002   6.278 -14.092
  178    HB   ILE  26           HB       ILE  26  -4.047   6.986 -17.025
  179   HG12  ILE  26          2HG1      ILE  26  -3.498   8.952 -15.612
  180   HG13  ILE  26          3HG1      ILE  26  -5.071   9.096 -16.390
  181   HG21  ILE  26          1HG2      ILE  26  -5.966   5.839 -16.888
  182   HG22  ILE  26          2HG2      ILE  26  -5.981   5.889 -15.126
  183   HG23  ILE  26          3HG2      ILE  26  -6.581   7.265 -16.052
  184   HD11  ILE  26          3HD1      ILE  26  -4.546   8.354 -13.523
  185   HD12  ILE  26          1HD1      ILE  26  -5.205   9.875 -14.122
  186   HD13  ILE  26          2HD1      ILE  26  -6.136   8.386 -14.286
  187    H    GLY  27           H        GLY  27  -3.030   4.221 -13.711
  188    HA2  GLY  27           2HA      GLY  27  -3.724   2.276 -15.687
  189    HA3  GLY  27           3HA      GLY  27  -1.982   2.465 -15.552
  190    H    PHE  28           H        PHE  28  -2.615   0.054 -15.011
  191    HA   PHE  28           HA       PHE  28  -2.672  -0.119 -12.074
  192    HB2  PHE  28           2HB      PHE  28  -3.841  -2.291 -13.787
  193    HB3  PHE  28           3HB      PHE  28  -4.133  -1.945 -12.086
  194    HD1  PHE  28           HD2      PHE  28  -4.878  -0.895 -15.532
  195    HD2  PHE  28           HD1      PHE  28  -5.809  -0.405 -11.408
  196    HE1  PHE  28           HE2      PHE  28  -6.900   0.367 -16.142
  197    HE2  PHE  28           HE1      PHE  28  -7.834   0.857 -12.011
  198    HZ   PHE  28           HZ       PHE  28  -8.381   1.245 -14.381
  199    H    CYS  29           H        CYS  29  -1.179  -1.427 -11.152
  200    HA   CYS  29           HA       CYS  29   0.969  -2.375 -12.812
  201    HB2  CYS  29           2HB      CYS  29   1.981  -3.072 -10.632
  202    HB3  CYS  29           3HB      CYS  29   1.538  -1.369 -10.701
  203    H    LEU  30           H        LEU  30   1.300  -4.376 -13.543
  204    HA   LEU  30           HA       LEU  30  -0.081  -6.622 -12.269
  205    HB2  LEU  30           2HB      LEU  30  -0.210  -5.885 -15.181
  206    HB3  LEU  30           3HB      LEU  30  -0.574  -7.506 -14.592
  207    HG   LEU  30           HG       LEU  30  -2.237  -6.055 -13.042
  208   HD11  LEU  30          1HD1      LEU  30  -2.612  -4.005 -13.789
  209   HD12  LEU  30          2HD1      LEU  30  -3.029  -4.640 -15.380
  210   HD13  LEU  30          3HD1      LEU  30  -1.356  -4.224 -15.009
  211   HD21  LEU  30          3HD2      LEU  30  -3.271  -7.786 -14.078
  212   HD22  LEU  30          1HD2      LEU  30  -2.494  -7.468 -15.630
  213   HD23  LEU  30          2HD2      LEU  30  -3.867  -6.488 -15.114
  Start of MODEL    8
    1    H1   CYS   1           H        CYS   1   1.712   0.177   0.865
    2    HA   CYS   1           HA       CYS   1   2.375   1.045  -1.383
    3    HB2  CYS   1           2HB      CYS   1   3.449  -1.046  -0.099
    4    HB3  CYS   1           3HB      CYS   1   2.869  -1.883  -1.535
    5    H    ILE   2           H        ILE   2  -0.265   1.015  -1.838
    6    HA   ILE   2           HA       ILE   2  -1.808   0.768  -3.493
    7    HB   ILE   2           HB       ILE   2   0.541  -0.350  -5.027
    8   HG12  ILE   2          2HG1      ILE   2   0.678   2.041  -4.284
    9   HG13  ILE   2          3HG1      ILE   2   0.693   1.831  -6.031
   10   HG21  ILE   2          1HG2      ILE   2  -0.992   0.341  -7.002
   11   HG22  ILE   2          2HG2      ILE   2  -1.263  -1.203  -6.195
   12   HG23  ILE   2          3HG2      ILE   2  -2.292   0.180  -5.821
   13   HD11  ILE   2          3HD1      ILE   2  -1.197   2.981  -6.297
   14   HD12  ILE   2          1HD1      ILE   2  -1.973   2.219  -4.910
   15   HD13  ILE   2          2HD1      ILE   2  -0.878   3.581  -4.670
   16    H    ALA   3           H        ALA   3  -3.406  -0.670  -3.685
   17    HA   ALA   3           HA       ALA   3  -3.119  -3.303  -2.663
   18    HB1  ALA   3           1HB      ALA   3  -5.519  -3.419  -3.850
   19    HB2  ALA   3           2HB      ALA   3  -5.247  -2.632  -2.294
   20    HB3  ALA   3           3HB      ALA   3  -5.317  -1.669  -3.770
   21    H    HIS   4           H        HIS   4  -3.637  -5.292  -3.807
   22    HA   HIS   4           HA       HIS   4  -2.041  -5.772  -6.009
   23    HB2  HIS   4           2HB      HIS   4  -4.344  -7.224  -4.775
   24    HB3  HIS   4           3HB      HIS   4  -3.720  -7.787  -6.323
   25    HD1  HIS   4           HD1      HIS   4  -1.712  -6.517  -3.364
   26    HD2  HIS   4           HD2      HIS   4  -2.314  -9.990  -5.564
   27    HE1  HIS   4           HE1      HIS   4  -0.027  -8.167  -2.491
   28    H    TYR   5           H        TYR   5  -2.173  -5.153  -8.054
   29    HA   TYR   5           HA       TYR   5  -2.980  -4.362 -10.029
   30    HB2  TYR   5           2HB      TYR   5  -5.598  -5.721  -9.566
   31    HB3  TYR   5           3HB      TYR   5  -4.620  -5.642 -11.028
   32    HD1  TYR   5           HD1      TYR   5  -2.241  -6.851 -10.767
   33    HD2  TYR   5           HD2      TYR   5  -5.717  -7.751  -8.485
   34    HE1  TYR   5           HE1      TYR   5  -1.340  -9.089 -10.290
   35    HE2  TYR   5           HE2      TYR   5  -4.826  -9.992  -8.001
   36    HH   TYR   5           HH       TYR   5  -3.120 -11.388  -8.247
   37    H    GLY   6           H        GLY   6  -3.390  -2.722  -7.718
   38    HA2  GLY   6           2HA      GLY   6  -6.021  -1.509  -8.189
   39    HA3  GLY   6           3HA      GLY   6  -4.967  -1.182  -6.822
   40    H    LYS   7           H        LYS   7  -6.286   0.684  -8.656
   41    HA   LYS   7           HA       LYS   7  -4.636   1.786 -10.576
   42    HB2  LYS   7           2HB      LYS   7  -6.959   2.603  -9.084
   43    HB3  LYS   7           3HB      LYS   7  -5.854   3.960  -9.256
   44    HG2  LYS   7           2HG      LYS   7  -6.050   2.626 -11.763
   45    HG3  LYS   7           3HG      LYS   7  -7.677   2.930 -11.147
   46    HD2  LYS   7           2HD      LYS   7  -6.899   4.801 -12.501
   47    HD3  LYS   7           3HD      LYS   7  -7.105   5.290 -10.817
   48    HE2  LYS   7           2HE      LYS   7  -4.682   4.997 -10.467
   49    HE3  LYS   7           3HE      LYS   7  -4.503   4.582 -12.171
   50    HZ1  LYS   7           3HZ      LYS   7  -3.953   6.878 -11.846
   51    HZ2  LYS   7           1HZ      LYS   7  -5.428   7.181 -11.074
   52    HZ3  LYS   7           2HZ      LYS   7  -5.399   6.792 -12.720
   53    H    CYS   8           H        CYS   8  -3.175   3.558 -10.562
   54    HA   CYS   8           HA       CYS   8  -1.801   3.933  -7.982
   55    HB2  CYS   8           2HB      CYS   8  -0.514   4.152 -10.704
   56    HB3  CYS   8           3HB      CYS   8   0.285   4.082  -9.136
   57    H    ASP   9           H        ASP   9  -0.555   6.002  -7.848
   58    HA   ASP   9           HA       ASP   9  -2.253   8.200  -8.198
   59    HB2  ASP   9           2HB      ASP   9  -0.229   7.889  -6.605
   60    HB3  ASP   9           3HB      ASP   9   0.728   8.498  -7.952
   61    H    GLY  10           H        GLY  10  -0.203   6.632 -10.415
   62    HA2  GLY  10           2HA      GLY  10  -0.447   7.148 -12.761
   63    HA3  GLY  10           3HA      GLY  10  -0.604   8.842 -12.323
   64    H    ILE  11           H        ILE  11   1.241  10.055 -11.855
   65    HA   ILE  11           HA       ILE  11   3.537   9.431 -13.324
   66    HB   ILE  11           HB       ILE  11   4.610  11.324 -12.160
   67   HG12  ILE  11          2HG1      ILE  11   2.442  12.387 -10.696
   68   HG13  ILE  11          3HG1      ILE  11   2.612  10.713 -10.180
   69   HG21  ILE  11          1HG2      ILE  11   1.763  11.871 -12.988
   70   HG22  ILE  11          2HG2      ILE  11   3.075  13.047 -12.934
   71   HG23  ILE  11          3HG2      ILE  11   3.137  11.708 -14.080
   72   HD11  ILE  11          3HD1      ILE  11   4.939  12.601 -10.286
   73   HD12  ILE  11          1HD1      ILE  11   3.894  12.456  -8.873
   74   HD13  ILE  11          2HD1      ILE  11   4.811  11.060  -9.439
   75    H    ILE  12           H        ILE  12   2.575   8.455 -10.188
   76    HA   ILE  12           HA       ILE  12   5.309   7.692  -9.452
   77    HB   ILE  12           HB       ILE  12   2.802   7.526  -7.777
   78   HG12  ILE  12          2HG1      ILE  12   5.004   9.601  -7.742
   79   HG13  ILE  12          3HG1      ILE  12   3.382   9.854  -8.377
   80   HG21  ILE  12          1HG2      ILE  12   5.354   6.380  -7.447
   81   HG22  ILE  12          2HG2      ILE  12   5.235   7.706  -6.292
   82   HG23  ILE  12          3HG2      ILE  12   4.024   6.424  -6.290
   83   HD11  ILE  12          3HD1      ILE  12   3.034   8.896  -5.776
   84   HD12  ILE  12          1HD1      ILE  12   4.341  10.077  -5.689
   85   HD13  ILE  12          2HD1      ILE  12   2.778  10.538  -6.366
   86    H    ASN  13           H        ASN  13   5.831   5.825 -10.438
   87    HA   ASN  13           HA       ASN  13   3.878   3.676 -10.642
   88    HB2  ASN  13           2HB      ASN  13   6.723   3.898 -11.651
   89    HB3  ASN  13           3HB      ASN  13   5.664   2.521 -11.940
   90   HD21  ASN  13          1HD2      ASN  13   5.680   6.052 -12.269
   91   HD22  ASN  13          2HD2      ASN  13   4.875   6.084 -13.797
   92    H    GLN  14           H        GLN  14   4.873   4.473  -8.022
   93    HA   GLN  14           HA       GLN  14   6.704   2.412  -7.172
   94    HB2  GLN  14           2HB      GLN  14   6.382   4.824  -6.213
   95    HB3  GLN  14           3HB      GLN  14   5.089   4.082  -5.280
   96    HG2  GLN  14           2HG      GLN  14   6.799   3.849  -3.809
   97    HG3  GLN  14           3HG      GLN  14   6.974   2.338  -4.700
   98   HE21  GLN  14          1HE2      GLN  14   8.535   2.328  -6.472
   99   HE22  GLN  14          2HE2      GLN  14   9.965   3.287  -6.326
  100    H    CYS  15           H        CYS  15   5.217   0.708  -8.062
  101    HA   CYS  15           HA       CYS  15   3.095   0.025  -6.141
  102    HB2  CYS  15           2HB      CYS  15   2.605   0.289  -8.667
  103    HB3  CYS  15           3HB      CYS  15   3.429  -1.257  -8.841
  104    H    CYS  16           H        CYS  16   3.985  -1.204  -4.592
  105    HA   CYS  16           HA       CYS  16   6.210  -2.794  -4.685
  106    HB2  CYS  16           2HB      CYS  16   3.713  -2.879  -3.044
  107    HB3  CYS  16           3HB      CYS  16   4.858  -4.209  -2.907
  108    H    ASP  17           H        ASP  17   2.905  -4.127  -4.870
  109    HA   ASP  17           HA       ASP  17   3.947  -6.192  -6.695
  110    HB2  ASP  17           2HB      ASP  17   2.384  -6.451  -4.200
  111    HB3  ASP  17           3HB      ASP  17   1.836  -7.448  -5.545
  112    HA   PRO  18           HA       PRO  18   2.547  -8.180  -7.299
  113    HB2  PRO  18           2HB      PRO  18   2.441  -8.913  -9.911
  114    HB3  PRO  18           3HB      PRO  18   1.064  -9.066  -8.813
  115    HG2  PRO  18           2HG      PRO  18   1.649  -6.934 -10.832
  116    HG3  PRO  18           3HG      PRO  18   0.113  -7.745 -10.474
  117    HD2  PRO  18           2HD      PRO  18   0.711  -5.277  -9.534
  118    HD3  PRO  18           3HD      PRO  18  -0.300  -6.423  -8.632
  119    H    TRP  19           H        TRP  19   3.257  -6.110 -10.119
  120    HA   TRP  19           HA       TRP  19   6.123  -6.524  -9.583
  121    HB2  TRP  19           2HB      TRP  19   4.612  -6.784 -12.150
  122    HB3  TRP  19           3HB      TRP  19   6.265  -6.177 -12.198
  123    HD1  TRP  19           HD1      TRP  19   4.544  -9.284 -12.628
  124    HE1  TRP  19           HE1      TRP  19   6.044 -11.313 -12.118
  125    HE3  TRP  19           HE3      TRP  19   8.298  -6.903 -10.103
  126    HZ2  TRP  19           HZ2      TRP  19   8.494 -11.835 -10.816
  127    HZ3  TRP  19           HZ3      TRP  19  10.183  -8.240  -9.257
  128    HH2  TRP  19           HH2      TRP  19  10.277 -10.654  -9.607
  129    H    LEU  20           H        LEU  20   4.856  -4.639 -12.231
  130    HA   LEU  20           HA       LEU  20   5.554  -2.170 -10.786
  131    HB2  LEU  20           2HB      LEU  20   6.288  -1.294 -13.043
  132    HB3  LEU  20           3HB      LEU  20   7.339  -2.479 -12.270
  133    HG   LEU  20           HG       LEU  20   5.348  -3.494 -14.221
  134   HD11  LEU  20          1HD1      LEU  20   7.896  -2.512 -15.359
  135   HD12  LEU  20          2HD1      LEU  20   6.644  -1.314 -15.037
  136   HD13  LEU  20          3HD1      LEU  20   6.305  -2.677 -16.104
  137   HD21  LEU  20          3HD2      LEU  20   7.654  -4.424 -12.863
  138   HD22  LEU  20          1HD2      LEU  20   8.010  -4.419 -14.590
  139   HD23  LEU  20          2HD2      LEU  20   6.609  -5.301 -13.981
  140    H    CYS  21           H        CYS  21   4.547  -0.209 -11.699
  141    HA   CYS  21           HA       CYS  21   1.781  -0.772 -12.430
  142    HB2  CYS  21           2HB      CYS  21   2.539   0.841 -10.555
  143    HB3  CYS  21           3HB      CYS  21   2.908   1.959 -11.865
  144    H    THR  22           H        THR  22   1.516  -1.062 -14.559
  145    HA   THR  22           HA       THR  22   2.373   1.106 -16.338
  146    HB   THR  22           HB       THR  22   2.997  -1.810 -16.677
  147    HG1  THR  22           HG1      THR  22   4.699  -0.569 -15.965
  148   HG21  THR  22          3HG2      THR  22   3.540  -1.266 -19.073
  149   HG22  THR  22          1HG2      THR  22   2.625   0.227 -18.870
  150   HG23  THR  22          2HG2      THR  22   1.819  -1.332 -18.698
  151    HA   PRO  23           HA       PRO  23   2.030   1.953 -18.192
  152    HB2  PRO  23           2HB      PRO  23   0.333   4.014 -18.687
  153    HB3  PRO  23           3HB      PRO  23   0.651   2.728 -19.858
  154    HG2  PRO  23           2HG      PRO  23  -1.657   3.050 -17.978
  155    HG3  PRO  23           3HG      PRO  23  -1.661   2.552 -19.680
  156    HD2  PRO  23           2HD      PRO  23  -1.859   0.780 -17.642
  157    HD3  PRO  23           3HD      PRO  23  -1.059   0.385 -19.178
  158    HA   PRO  24           HA       PRO  24   2.509   4.363 -14.545
  159    HB2  PRO  24           2HB      PRO  24   3.346   6.770 -15.480
  160    HB3  PRO  24           3HB      PRO  24   4.362   5.324 -15.506
  161    HG2  PRO  24           2HG      PRO  24   2.746   6.545 -17.711
  162    HG3  PRO  24           3HG      PRO  24   4.390   5.880 -17.764
  163    HD2  PRO  24           2HD      PRO  24   2.230   4.496 -18.632
  164    HD3  PRO  24           3HD      PRO  24   3.641   3.705 -17.901
  165    H    ILE  25           H        ILE  25   1.642   7.123 -16.526
  166    HA   ILE  25           HA       ILE  25  -0.141   8.190 -14.647
  167    HB   ILE  25           HB       ILE  25  -0.264   8.806 -17.590
  168   HG12  ILE  25          2HG1      ILE  25   1.772   9.702 -15.547
  169   HG13  ILE  25          3HG1      ILE  25   2.074   8.864 -17.065
  170   HG21  ILE  25          1HG2      ILE  25  -1.451  10.607 -17.005
  171   HG22  ILE  25          2HG2      ILE  25  -1.682   9.788 -15.461
  172   HG23  ILE  25          3HG2      ILE  25  -0.391  10.974 -15.644
  173   HD11  ILE  25          3HD1      ILE  25   1.361  11.720 -16.592
  174   HD12  ILE  25          1HD1      ILE  25   2.671  11.033 -17.552
  175   HD13  ILE  25          2HD1      ILE  25   1.010  10.959 -18.144
  176    H    ILE  26           H        ILE  26  -1.924   7.148 -14.014
  177    HA   ILE  26           HA       ILE  26  -4.027   6.275 -14.079
  178    HB   ILE  26           HB       ILE  26  -4.089   6.893 -17.028
  179   HG12  ILE  26          2HG1      ILE  26  -3.410   8.920 -15.881
  180   HG13  ILE  26          3HG1      ILE  26  -5.093   9.071 -16.375
  181   HG21  ILE  26          1HG2      ILE  26  -6.021   5.759 -16.691
  182   HG22  ILE  26          2HG2      ILE  26  -6.071   6.136 -14.970
  183   HG23  ILE  26          3HG2      ILE  26  -6.571   7.346 -16.152
  184   HD11  ILE  26          3HD1      ILE  26  -5.770   8.468 -14.075
  185   HD12  ILE  26          1HD1      ILE  26  -4.069   8.469 -13.613
  186   HD13  ILE  26          2HD1      ILE  26  -4.833   9.959 -14.168
  187    H    GLY  27           H        GLY  27  -3.126   4.199 -13.663
  188    HA2  GLY  27           2HA      GLY  27  -3.867   2.237 -15.593
  189    HA3  GLY  27           3HA      GLY  27  -2.119   2.397 -15.500
  190    H    PHE  28           H        PHE  28  -2.766   0.010 -14.901
  191    HA   PHE  28           HA       PHE  28  -2.771  -0.112 -11.961
  192    HB2  PHE  28           2HB      PHE  28  -3.995  -2.305 -13.606
  193    HB3  PHE  28           3HB      PHE  28  -4.262  -1.910 -11.911
  194    HD1  PHE  28           HD2      PHE  28  -5.042  -0.951 -15.374
  195    HD2  PHE  28           HD1      PHE  28  -5.904  -0.323 -11.254
  196    HE1  PHE  28           HE2      PHE  28  -7.055   0.320 -15.994
  197    HE2  PHE  28           HE1      PHE  28  -7.920   0.949 -11.867
  198    HZ   PHE  28           HZ       PHE  28  -8.497   1.272 -14.239
  199    H    CYS  29           H        CYS  29  -1.281  -1.427 -11.044
  200    HA   CYS  29           HA       CYS  29   0.827  -2.426 -12.723
  201    HB2  CYS  29           2HB      CYS  29   1.863  -3.109 -10.551
  202    HB3  CYS  29           3HB      CYS  29   1.443  -1.402 -10.635
  203    H    LEU  30           H        LEU  30   1.115  -4.438 -13.440
  204    HA   LEU  30           HA       LEU  30  -0.266  -6.652 -12.113
  205    HB2  LEU  30           2HB      LEU  30  -1.007  -7.559 -14.254
  206    HB3  LEU  30           3HB      LEU  30  -1.723  -5.982 -13.928
  207    HG   LEU  30           HG       LEU  30   0.711  -6.184 -15.654
  208   HD11  LEU  30          1HD1      LEU  30  -1.190  -7.809 -16.351
  209   HD12  LEU  30          2HD1      LEU  30  -0.465  -6.747 -17.558
  210   HD13  LEU  30          3HD1      LEU  30  -2.025  -6.336 -16.845
  211   HD21  LEU  30          3HD2      LEU  30   0.259  -3.971 -15.344
  212   HD22  LEU  30          1HD2      LEU  30  -1.469  -4.240 -15.114
  213   HD23  LEU  30          2HD2      LEU  30  -0.779  -4.281 -16.737
  Start of MODEL    9
    1    H1   CYS   1           H        CYS   1   1.513   0.592   0.674
    2    HA   CYS   1           HA       CYS   1   2.384   1.012  -1.445
    3    HB2  CYS   1           2HB      CYS   1   3.464  -1.091  -0.172
    4    HB3  CYS   1           3HB      CYS   1   2.912  -1.905  -1.633
    5    H    ILE   2           H        ILE   2  -0.255   0.959  -1.906
    6    HA   ILE   2           HA       ILE   2  -1.791   0.710  -3.567
    7    HB   ILE   2           HB       ILE   2   0.572  -0.370  -5.105
    8   HG12  ILE   2          2HG1      ILE   2   0.682   2.016  -4.338
    9   HG13  ILE   2          3HG1      ILE   2   0.709   1.821  -6.087
   10   HG21  ILE   2          1HG2      ILE   2  -2.267   0.120  -5.891
   11   HG22  ILE   2          2HG2      ILE   2  -0.977   0.342  -7.072
   12   HG23  ILE   2          3HG2      ILE   2  -1.205  -1.227  -6.300
   13   HD11  ILE   2          3HD1      ILE   2  -1.729   2.532  -4.474
   14   HD12  ILE   2          1HD1      ILE   2  -0.711   3.683  -5.339
   15   HD13  ILE   2          2HD1      ILE   2  -1.609   2.455  -6.231
   16    H    ALA   3           H        ALA   3  -3.374  -0.744  -3.774
   17    HA   ALA   3           HA       ALA   3  -3.067  -3.379  -2.770
   18    HB1  ALA   3           1HB      ALA   3  -5.269  -3.212  -2.568
   19    HB2  ALA   3           2HB      ALA   3  -5.208  -1.658  -3.402
   20    HB3  ALA   3           3HB      ALA   3  -5.454  -3.144  -4.321
   21    H    HIS   4           H        HIS   4  -3.555  -5.367  -3.930
   22    HA   HIS   4           HA       HIS   4  -1.933  -5.810  -6.126
   23    HB2  HIS   4           2HB      HIS   4  -4.226  -7.314  -4.926
   24    HB3  HIS   4           3HB      HIS   4  -3.539  -7.866  -6.451
   25    HD1  HIS   4           HD1      HIS   4  -1.625  -6.511  -3.474
   26    HD2  HIS   4           HD2      HIS   4  -2.133 -10.042  -5.603
   27    HE1  HIS   4           HE1      HIS   4   0.068  -8.113  -2.531
   28    H    TYR   5           H        TYR   5  -2.072  -5.193  -8.171
   29    HA   TYR   5           HA       TYR   5  -2.890  -4.420 -10.148
   30    HB2  TYR   5           2HB      TYR   5  -5.487  -5.821  -9.672
   31    HB3  TYR   5           3HB      TYR   5  -4.527  -5.715 -11.144
   32    HD1  TYR   5           HD1      TYR   5  -2.116  -6.876 -10.906
   33    HD2  TYR   5           HD2      TYR   5  -5.562  -7.865  -8.614
   34    HE1  TYR   5           HE1      TYR   5  -1.169  -9.100 -10.453
   35    HE2  TYR   5           HE2      TYR   5  -4.624 -10.091  -8.153
   36    HH   TYR   5           HH       TYR   5  -1.441 -10.880  -8.630
   37    H    GLY   6           H        GLY   6  -3.321  -2.783  -7.839
   38    HA2  GLY   6           2HA      GLY   6  -5.964  -1.599  -8.326
   39    HA3  GLY   6           3HA      GLY   6  -4.930  -1.270  -6.944
   40    H    LYS   7           H        LYS   7  -6.243   0.600  -8.769
   41    HA   LYS   7           HA       LYS   7  -4.591   1.731 -10.669
   42    HB2  LYS   7           2HB      LYS   7  -6.926   2.518  -9.184
   43    HB3  LYS   7           3HB      LYS   7  -5.827   3.884  -9.328
   44    HG2  LYS   7           2HG      LYS   7  -5.986   2.597 -11.857
   45    HG3  LYS   7           3HG      LYS   7  -7.624   2.856 -11.253
   46    HD2  LYS   7           2HD      LYS   7  -6.878   4.770 -12.558
   47    HD3  LYS   7           3HD      LYS   7  -7.098   5.222 -10.866
   48    HE2  LYS   7           2HE      LYS   7  -4.677   4.982 -10.509
   49    HE3  LYS   7           3HE      LYS   7  -4.476   4.575 -12.213
   50    HZ1  LYS   7           3HZ      LYS   7  -5.381   6.767 -12.775
   51    HZ2  LYS   7           1HZ      LYS   7  -3.970   6.886 -11.848
   52    HZ3  LYS   7           2HZ      LYS   7  -5.478   7.153 -11.130
   53    H    CYS   8           H        CYS   8  -3.142   3.514 -10.632
   54    HA   CYS   8           HA       CYS   8  -1.779   3.869  -8.042
   55    HB2  CYS   8           2HB      CYS   8  -0.477   4.134 -10.752
   56    HB3  CYS   8           3HB      CYS   8   0.310   4.032  -9.180
   57    H    ASP   9           H        ASP   9  -0.543   5.945  -7.884
   58    HA   ASP   9           HA       ASP   9  -2.253   8.136  -8.213
   59    HB2  ASP   9           2HB      ASP   9   0.633   7.818  -7.492
   60    HB3  ASP   9           3HB      ASP   9   0.013   9.431  -7.835
   61    H    GLY  10           H        GLY  10  -0.190   6.604 -10.445
   62    HA2  GLY  10           2HA      GLY  10  -0.425   7.134 -12.785
   63    HA3  GLY  10           3HA      GLY  10  -0.621   8.822 -12.337
   64    H    ILE  11           H        ILE  11   1.198  10.070 -11.849
   65    HA   ILE  11           HA       ILE  11   3.512   9.507 -13.314
   66    HB   ILE  11           HB       ILE  11   4.532  11.423 -12.182
   67   HG12  ILE  11          2HG1      ILE  11   2.356  12.353 -10.604
   68   HG13  ILE  11          3HG1      ILE  11   2.706  10.702 -10.104
   69   HG21  ILE  11          1HG2      ILE  11   2.949  11.780 -14.026
   70   HG22  ILE  11          2HG2      ILE  11   1.634  11.909 -12.858
   71   HG23  ILE  11          3HG2      ILE  11   2.926  13.110 -12.867
   72   HD11  ILE  11          3HD1      ILE  11   4.813  12.828 -10.327
   73   HD12  ILE  11          1HD1      ILE  11   3.907  12.508  -8.848
   74   HD13  ILE  11          2HD1      ILE  11   4.934  11.253  -9.543
   75    H    ILE  12           H        ILE  12   2.558   8.485 -10.190
   76    HA   ILE  12           HA       ILE  12   5.307   7.761  -9.462
   77    HB   ILE  12           HB       ILE  12   2.815   7.563  -7.768
   78   HG12  ILE  12          2HG1      ILE  12   4.976   9.682  -7.769
   79   HG13  ILE  12          3HG1      ILE  12   3.338   9.899  -8.377
   80   HG21  ILE  12          1HG2      ILE  12   5.266   7.797  -6.312
   81   HG22  ILE  12          2HG2      ILE  12   4.070   6.502  -6.278
   82   HG23  ILE  12          3HG2      ILE  12   5.382   6.459  -7.455
   83   HD11  ILE  12          3HD1      ILE  12   2.593   9.253  -6.012
   84   HD12  ILE  12          1HD1      ILE  12   4.266   9.568  -5.554
   85   HD13  ILE  12          2HD1      ILE  12   3.288  10.853  -6.264
   86    H    ASN  13           H        ASN  13   5.839   5.898 -10.450
   87    HA   ASN  13           HA       ASN  13   3.907   3.733 -10.652
   88    HB2  ASN  13           2HB      ASN  13   6.755   3.977 -11.645
   89    HB3  ASN  13           3HB      ASN  13   5.712   2.587 -11.934
   90   HD21  ASN  13          1HD2      ASN  13   5.678   6.118 -12.270
   91   HD22  ASN  13          2HD2      ASN  13   4.886   6.134 -13.806
   92    H    GLN  14           H        GLN  14   4.875   4.539  -8.026
   93    HA   GLN  14           HA       GLN  14   6.718   2.497  -7.160
   94    HB2  GLN  14           2HB      GLN  14   6.341   4.912  -6.206
   95    HB3  GLN  14           3HB      GLN  14   5.074   4.133  -5.269
   96    HG2  GLN  14           2HG      GLN  14   6.796   3.938  -3.807
   97    HG3  GLN  14           3HG      GLN  14   7.011   2.437  -4.707
   98   HE21  GLN  14          1HE2      GLN  14   8.587   2.443  -6.440
   99   HE22  GLN  14          2HE2      GLN  14   9.980   3.457  -6.313
  100    H    CYS  15           H        CYS  15   5.231   0.794  -8.082
  101    HA   CYS  15           HA       CYS  15   3.126   0.074  -6.154
  102    HB2  CYS  15           2HB      CYS  15   2.556   0.383  -8.633
  103    HB3  CYS  15           3HB      CYS  15   3.454  -1.106  -8.909
  104    H    CYS  16           H        CYS  16   4.038  -1.180  -4.637
  105    HA   CYS  16           HA       CYS  16   6.266  -2.759  -4.782
  106    HB2  CYS  16           2HB      CYS  16   3.778  -2.912  -3.125
  107    HB3  CYS  16           3HB      CYS  16   4.965  -4.207  -3.009
  108    H    ASP  17           H        ASP  17   3.011  -4.206  -4.818
  109    HA   ASP  17           HA       ASP  17   4.035  -6.216  -6.717
  110    HB2  ASP  17           2HB      ASP  17   1.963  -7.519  -5.627
  111    HB3  ASP  17           3HB      ASP  17   3.585  -7.577  -4.942
  112    HA   PRO  18           HA       PRO  18   2.651  -8.187  -7.363
  113    HB2  PRO  18           2HB      PRO  18   2.579  -8.889  -9.984
  114    HB3  PRO  18           3HB      PRO  18   1.188  -9.057  -8.906
  115    HG2  PRO  18           2HG      PRO  18   1.795  -6.901 -10.891
  116    HG3  PRO  18           3HG      PRO  18   0.256  -7.719 -10.563
  117    HD2  PRO  18           2HD      PRO  18   0.837  -5.261  -9.586
  118    HD3  PRO  18           3HD      PRO  18  -0.183  -6.420  -8.710
  119    H    TRP  19           H        TRP  19   3.392  -6.080 -10.146
  120    HA   TRP  19           HA       TRP  19   6.251  -6.479  -9.570
  121    HB2  TRP  19           2HB      TRP  19   4.847  -6.585 -12.235
  122    HB3  TRP  19           3HB      TRP  19   6.575  -6.269 -12.104
  123    HD1  TRP  19           HD1      TRP  19   4.298  -9.043 -12.627
  124    HE1  TRP  19           HE1      TRP  19   5.418 -11.300 -12.099
  125    HE3  TRP  19           HE3      TRP  19   8.387  -7.341 -10.074
  126    HZ2  TRP  19           HZ2      TRP  19   7.728 -12.234 -10.774
  127    HZ3  TRP  19           HZ3      TRP  19  10.003  -8.982  -9.209
  128    HH2  TRP  19           HH2      TRP  19   9.679 -11.377  -9.552
  129    H    LEU  20           H        LEU  20   5.011  -4.618 -12.248
  130    HA   LEU  20           HA       LEU  20   5.686  -2.138 -10.809
  131    HB2  LEU  20           2HB      LEU  20   6.383  -1.274 -13.095
  132    HB3  LEU  20           3HB      LEU  20   7.464  -2.413 -12.294
  133    HG   LEU  20           HG       LEU  20   5.490  -3.474 -14.255
  134   HD11  LEU  20          1HD1      LEU  20   6.895  -1.347 -15.066
  135   HD12  LEU  20          2HD1      LEU  20   6.517  -2.711 -16.118
  136   HD13  LEU  20          3HD1      LEU  20   8.097  -2.608 -15.342
  137   HD21  LEU  20          3HD2      LEU  20   8.198  -4.423 -14.432
  138   HD22  LEU  20          1HD2      LEU  20   6.725  -5.305 -14.031
  139   HD23  LEU  20          2HD2      LEU  20   7.632  -4.481 -12.762
  140    H    CYS  21           H        CYS  21   4.663  -0.186 -11.725
  141    HA   CYS  21           HA       CYS  21   1.897  -0.770 -12.446
  142    HB2  CYS  21           2HB      CYS  21   2.596   0.823 -10.559
  143    HB3  CYS  21           3HB      CYS  21   3.040   1.951 -11.836
  144    H    THR  22           H        THR  22   1.637  -1.054 -14.577
  145    HA   THR  22           HA       THR  22   2.464   1.133 -16.346
  146    HB   THR  22           HB       THR  22   3.152  -1.766 -16.682
  147    HG1  THR  22           HG1      THR  22   4.655  -0.057 -15.943
  148   HG21  THR  22          3HG2      THR  22   2.692   0.236 -18.889
  149   HG22  THR  22          1HG2      THR  22   1.939  -1.346 -18.693
  150   HG23  THR  22          2HG2      THR  22   3.654  -1.228 -19.090
  151    HA   PRO  23           HA       PRO  23   2.117   1.969 -18.210
  152    HB2  PRO  23           2HB      PRO  23   0.394   4.006 -18.713
  153    HB3  PRO  23           3HB      PRO  23   0.730   2.722 -19.880
  154    HG2  PRO  23           2HG      PRO  23  -1.584   3.019 -18.005
  155    HG3  PRO  23           3HG      PRO  23  -1.579   2.516 -19.706
  156    HD2  PRO  23           2HD      PRO  23  -1.757   0.747 -17.664
  157    HD3  PRO  23           3HD      PRO  23  -0.950   0.358 -19.197
  158    HA   PRO  24           HA       PRO  24   2.558   4.394 -14.568
  159    HB2  PRO  24           2HB      PRO  24   3.365   6.810 -15.507
  160    HB3  PRO  24           3HB      PRO  24   4.400   5.377 -15.528
  161    HG2  PRO  24           2HG      PRO  24   2.773   6.571 -17.739
  162    HG3  PRO  24           3HG      PRO  24   4.424   5.928 -17.787
  163    HD2  PRO  24           2HD      PRO  24   2.285   4.514 -18.656
  164    HD3  PRO  24           3HD      PRO  24   3.704   3.742 -17.920
  165    H    ILE  25           H        ILE  25   1.688   7.166 -16.518
  166    HA   ILE  25           HA       ILE  25  -0.122   8.200 -14.657
  167    HB   ILE  25           HB       ILE  25  -0.238   8.819 -17.600
  168   HG12  ILE  25          2HG1      ILE  25   1.771   9.740 -15.541
  169   HG13  ILE  25          3HG1      ILE  25   2.096   8.909 -17.058
  170   HG21  ILE  25          1HG2      ILE  25  -1.455  10.602 -17.021
  171   HG22  ILE  25          2HG2      ILE  25  -1.684   9.779 -15.479
  172   HG23  ILE  25          3HG2      ILE  25  -0.408  10.984 -15.654
  173   HD11  ILE  25          3HD1      ILE  25   0.803  11.126 -17.932
  174   HD12  ILE  25          1HD1      ILE  25   1.655  11.748 -16.518
  175   HD13  ILE  25          2HD1      ILE  25   2.555  10.958 -17.814
  176    H    ILE  26           H        ILE  26  -1.906   7.157 -14.033
  177    HA   ILE  26           HA       ILE  26  -3.995   6.253 -14.105
  178    HB   ILE  26           HB       ILE  26  -4.045   6.903 -17.049
  179   HG12  ILE  26          2HG1      ILE  26  -3.427   8.924 -15.856
  180   HG13  ILE  26          3HG1      ILE  26  -5.106   9.046 -16.372
  181   HG21  ILE  26          1HG2      ILE  26  -6.064   5.986 -16.935
  182   HG22  ILE  26          2HG2      ILE  26  -5.930   5.784 -15.189
  183   HG23  ILE  26          3HG2      ILE  26  -6.543   7.297 -15.857
  184   HD11  ILE  26          3HD1      ILE  26  -4.106   8.421 -13.606
  185   HD12  ILE  26          1HD1      ILE  26  -4.896   9.901 -14.147
  186   HD13  ILE  26          2HD1      ILE  26  -5.800   8.388 -14.092
  187    H    GLY  27           H        GLY  27  -3.034   4.191 -13.703
  188    HA2  GLY  27           2HA      GLY  27  -3.760   2.230 -15.651
  189    HA3  GLY  27           3HA      GLY  27  -2.015   2.406 -15.535
  190    H    PHE  28           H        PHE  28  -2.631   0.011 -14.958
  191    HA   PHE  28           HA       PHE  28  -2.670  -0.131 -12.020
  192    HB2  PHE  28           2HB      PHE  28  -3.863  -2.327 -13.678
  193    HB3  PHE  28           3HB      PHE  28  -4.157  -1.927 -11.989
  194    HD1  PHE  28           HD2      PHE  28  -4.895  -0.993 -15.468
  195    HD2  PHE  28           HD1      PHE  28  -5.815  -0.341 -11.363
  196    HE1  PHE  28           HE2      PHE  28  -6.906   0.264 -16.122
  197    HE2  PHE  28           HE1      PHE  28  -7.828   0.917 -12.011
  198    HZ   PHE  28           HZ       PHE  28  -8.376   1.221 -14.393
  199    H    CYS  29           H        CYS  29  -1.183  -1.448 -11.097
  200    HA   CYS  29           HA       CYS  29   0.946  -2.421 -12.765
  201    HB2  CYS  29           2HB      CYS  29   1.963  -3.118 -10.586
  202    HB3  CYS  29           3HB      CYS  29   1.541  -1.411 -10.666
  203    H    LEU  30           H        LEU  30   1.251  -4.426 -13.494
  204    HA   LEU  30           HA       LEU  30  -0.140  -6.656 -12.199
  205    HB2  LEU  30           2HB      LEU  30  -0.081  -6.387 -15.188
  206    HB3  LEU  30           3HB      LEU  30  -1.029  -7.503 -14.208
  207    HG   LEU  30           HG       LEU  30  -1.900  -4.989 -13.413
  208   HD11  LEU  30          1HD1      LEU  30  -0.752  -3.966 -15.301
  209   HD12  LEU  30          2HD1      LEU  30  -2.501  -3.870 -15.500
  210   HD13  LEU  30          3HD1      LEU  30  -1.575  -5.063 -16.410
  211   HD21  LEU  30          3HD2      LEU  30  -2.907  -7.325 -14.834
  212   HD22  LEU  30          1HD2      LEU  30  -3.739  -5.833 -15.272
  213   HD23  LEU  30          2HD2      LEU  30  -3.669  -6.340 -13.584
  Start of MODEL   10
    1    H1   CYS   1           H        CYS   1   1.701   0.300   0.837
    2    HA   CYS   1           HA       CYS   1   2.396   1.029  -1.383
    3    HB2  CYS   1           2HB      CYS   1   3.472  -1.080  -0.122
    4    HB3  CYS   1           3HB      CYS   1   2.903  -1.892  -1.577
    5    H    ILE   2           H        ILE   2  -0.242   1.000  -1.838
    6    HA   ILE   2           HA       ILE   2  -1.785   0.768  -3.495
    7    HB   ILE   2           HB       ILE   2   0.567  -0.333  -5.036
    8   HG12  ILE   2          2HG1      ILE   2   0.702   2.050  -4.285
    9   HG13  ILE   2          3HG1      ILE   2   0.700   1.856  -6.034
   10   HG21  ILE   2          1HG2      ILE   2  -1.217  -1.186  -6.225
   11   HG22  ILE   2          2HG2      ILE   2  -2.271   0.167  -5.818
   12   HG23  ILE   2          3HG2      ILE   2  -0.983   0.379  -7.003
   13   HD11  ILE   2          3HD1      ILE   2  -0.916   3.532  -4.552
   14   HD12  ILE   2          1HD1      ILE   2  -1.125   3.094  -6.247
   15   HD13  ILE   2          2HD1      ILE   2  -1.974   2.191  -4.991
   16    H    ALA   3           H        ALA   3  -3.384  -0.668  -3.689
   17    HA   ALA   3           HA       ALA   3  -3.112  -3.301  -2.681
   18    HB1  ALA   3           1HB      ALA   3  -5.220  -1.568  -3.250
   19    HB2  ALA   3           2HB      ALA   3  -5.479  -2.969  -4.290
   20    HB3  ALA   3           3HB      ALA   3  -5.326  -3.182  -2.546
   21    H    HIS   4           H        HIS   4  -3.658  -5.287  -3.848
   22    HA   HIS   4           HA       HIS   4  -2.011  -5.753  -6.033
   23    HB2  HIS   4           2HB      HIS   4  -4.333  -7.246  -4.858
   24    HB3  HIS   4           3HB      HIS   4  -3.577  -7.819  -6.341
   25    HD1  HIS   4           HD1      HIS   4  -1.601  -6.320  -3.514
   26    HD2  HIS   4           HD2      HIS   4  -2.392 -10.039  -5.189
   27    HE1  HIS   4           HE1      HIS   4   0.013  -7.908  -2.419
   28    H    TYR   5           H        TYR   5  -2.152  -5.153  -8.082
   29    HA   TYR   5           HA       TYR   5  -2.971  -4.397 -10.066
   30    HB2  TYR   5           2HB      TYR   5  -5.580  -5.766  -9.584
   31    HB3  TYR   5           3HB      TYR   5  -4.602  -5.702 -11.046
   32    HD1  TYR   5           HD1      TYR   5  -2.228  -6.904 -10.789
   33    HD2  TYR   5           HD2      TYR   5  -5.677  -7.773  -8.455
   34    HE1  TYR   5           HE1      TYR   5  -1.316  -9.132 -10.282
   35    HE2  TYR   5           HE2      TYR   5  -4.775 -10.002  -7.940
   36    HH   TYR   5           HH       TYR   5  -2.703 -11.184  -7.890
   37    H    GLY   6           H        GLY   6  -3.384  -2.734  -7.774
   38    HA2  GLY   6           2HA      GLY   6  -6.021  -1.538  -8.267
   39    HA3  GLY   6           3HA      GLY   6  -4.985  -1.205  -6.887
   40    H    LYS   7           H        LYS   7  -6.273   0.689  -8.667
   41    HA   LYS   7           HA       LYS   7  -4.622   1.787 -10.599
   42    HB2  LYS   7           2HB      LYS   7  -6.943   2.603  -9.105
   43    HB3  LYS   7           3HB      LYS   7  -5.831   3.957  -9.261
   44    HG2  LYS   7           2HG      LYS   7  -6.023   2.653 -11.782
   45    HG3  LYS   7           3HG      LYS   7  -7.652   2.947 -11.168
   46    HD2  LYS   7           2HD      LYS   7  -6.878   4.837 -12.495
   47    HD3  LYS   7           3HD      LYS   7  -7.079   5.305 -10.805
   48    HE2  LYS   7           2HE      LYS   7  -4.660   5.019 -10.461
   49    HE3  LYS   7           3HE      LYS   7  -4.478   4.604 -12.165
   50    HZ1  LYS   7           3HZ      LYS   7  -5.451   7.200 -11.100
   51    HZ2  LYS   7           1HZ      LYS   7  -5.320   6.804 -12.740
   52    HZ3  LYS   7           2HZ      LYS   7  -3.930   6.912 -11.782
   53    H    CYS   8           H        CYS   8  -3.155   3.555 -10.574
   54    HA   CYS   8           HA       CYS   8  -1.777   3.905  -7.992
   55    HB2  CYS   8           2HB      CYS   8  -0.488   4.147 -10.710
   56    HB3  CYS   8           3HB      CYS   8   0.308   4.048  -9.143
   57    H    ASP   9           H        ASP   9  -0.526   5.968  -7.840
   58    HA   ASP   9           HA       ASP   9  -2.215   8.175  -8.171
   59    HB2  ASP   9           2HB      ASP   9   0.751   7.993  -7.636
   60    HB3  ASP   9           3HB      ASP   9  -0.127   9.520  -7.647
   61    H    GLY  10           H        GLY  10  -0.170   6.620 -10.403
   62    HA2  GLY  10           2HA      GLY  10  -0.411   7.149 -12.745
   63    HA3  GLY  10           3HA      GLY  10  -0.580   8.840 -12.297
   64    H    ILE  11           H        ILE  11   1.257  10.063 -11.825
   65    HA   ILE  11           HA       ILE  11   3.559   9.458 -13.295
   66    HB   ILE  11           HB       ILE  11   4.611  11.364 -12.166
   67   HG12  ILE  11          2HG1      ILE  11   2.336  12.229 -10.610
   68   HG13  ILE  11          3HG1      ILE  11   2.900  10.658 -10.051
   69   HG21  ILE  11          1HG2      ILE  11   1.747  12.072 -12.730
   70   HG22  ILE  11          2HG2      ILE  11   3.196  13.030 -13.032
   71   HG23  ILE  11          3HG2      ILE  11   2.869  11.595 -14.004
   72   HD11  ILE  11          3HD1      ILE  11   3.909  12.613  -8.888
   73   HD12  ILE  11          1HD1      ILE  11   5.077  11.513  -9.621
   74   HD13  ILE  11          2HD1      ILE  11   4.692  13.044 -10.408
   75    H    ILE  12           H        ILE  12   2.599   8.462 -10.166
   76    HA   ILE  12           HA       ILE  12   5.339   7.712  -9.434
   77    HB   ILE  12           HB       ILE  12   2.824   7.597  -7.765
   78   HG12  ILE  12          2HG1      ILE  12   4.681   9.440  -6.715
   79   HG13  ILE  12          3HG1      ILE  12   4.589   9.774  -8.441
   80   HG21  ILE  12          1HG2      ILE  12   4.774   7.535  -5.965
   81   HG22  ILE  12          2HG2      ILE  12   4.132   6.069  -6.704
   82   HG23  ILE  12          3HG2      ILE  12   5.634   6.773  -7.302
   83   HD11  ILE  12          3HD1      ILE  12   2.029   9.708  -8.057
   84   HD12  ILE  12          1HD1      ILE  12   2.458   9.953  -6.364
   85   HD13  ILE  12          2HD1      ILE  12   2.948  11.135  -7.579
   86    H    ASN  13           H        ASN  13   5.857   5.843 -10.421
   87    HA   ASN  13           HA       ASN  13   3.906   3.693 -10.615
   88    HB2  ASN  13           2HB      ASN  13   6.747   3.921 -11.631
   89    HB3  ASN  13           3HB      ASN  13   5.697   2.535 -11.908
   90   HD21  ASN  13          1HD2      ASN  13   5.668   6.066 -12.248
   91   HD22  ASN  13          2HD2      ASN  13   4.867   6.082 -13.778
   92    H    GLN  14           H        GLN  14   4.905   4.496  -7.997
   93    HA   GLN  14           HA       GLN  14   6.738   2.440  -7.145
   94    HB2  GLN  14           2HB      GLN  14   6.391   4.858  -6.190
   95    HB3  GLN  14           3HB      GLN  14   5.122   4.093  -5.243
   96    HG2  GLN  14           2HG      GLN  14   6.842   3.871  -3.789
   97    HG3  GLN  14           3HG      GLN  14   7.055   2.377  -4.702
   98   HE21  GLN  14          1HE2      GLN  14   8.586   2.468  -6.517
   99   HE22  GLN  14          2HE2      GLN  14   9.996   3.453  -6.353
  100    H    CYS  15           H        CYS  15   5.225   0.751  -8.057
  101    HA   CYS  15           HA       CYS  15   3.126   0.052  -6.116
  102    HB2  CYS  15           2HB      CYS  15   2.579   0.347  -8.614
  103    HB3  CYS  15           3HB      CYS  15   3.436  -1.174  -8.849
  104    H    CYS  16           H        CYS  16   4.033  -1.195  -4.591
  105    HA   CYS  16           HA       CYS  16   6.251  -2.792  -4.732
  106    HB2  CYS  16           2HB      CYS  16   3.771  -2.911  -3.059
  107    HB3  CYS  16           3HB      CYS  16   4.953  -4.210  -2.936
  108    H    ASP  17           H        ASP  17   2.962  -4.168  -4.793
  109    HA   ASP  17           HA       ASP  17   3.962  -6.213  -6.667
  110    HB2  ASP  17           2HB      ASP  17   2.444  -6.457  -4.152
  111    HB3  ASP  17           3HB      ASP  17   1.820  -7.421  -5.488
  112    HA   PRO  18           HA       PRO  18   2.536  -8.188  -7.259
  113    HB2  PRO  18           2HB      PRO  18   2.408  -8.924  -9.869
  114    HB3  PRO  18           3HB      PRO  18   1.035  -9.060  -8.764
  115    HG2  PRO  18           2HG      PRO  18   1.634  -6.939 -10.790
  116    HG3  PRO  18           3HG      PRO  18   0.091  -7.732 -10.424
  117    HD2  PRO  18           2HD      PRO  18   0.721  -5.269  -9.492
  118    HD3  PRO  18           3HD      PRO  18  -0.299  -6.402  -8.582
  119    H    TRP  19           H        TRP  19   3.255  -6.126 -10.082
  120    HA   TRP  19           HA       TRP  19   6.118  -6.572  -9.561
  121    HB2  TRP  19           2HB      TRP  19   4.605  -6.774 -12.140
  122    HB3  TRP  19           3HB      TRP  19   6.290  -6.262 -12.159
  123    HD1  TRP  19           HD1      TRP  19   4.460  -9.251 -12.722
  124    HE1  TRP  19           HE1      TRP  19   5.810 -11.369 -12.161
  125    HE3  TRP  19           HE3      TRP  19   8.164  -7.130  -9.909
  126    HZ2  TRP  19           HZ2      TRP  19   8.138 -12.050 -10.717
  127    HZ3  TRP  19           HZ3      TRP  19   9.914  -8.585  -8.974
  128    HH2  TRP  19           HH2      TRP  19   9.899 -10.994  -9.370
  129    H    LEU  20           H        LEU  20   4.862  -4.679 -12.209
  130    HA   LEU  20           HA       LEU  20   5.590  -2.214 -10.771
  131    HB2  LEU  20           2HB      LEU  20   6.770  -1.382 -12.570
  132    HB3  LEU  20           3HB      LEU  20   7.219  -3.087 -12.569
  133    HG   LEU  20           HG       LEU  20   5.150  -1.849 -14.384
  134   HD11  LEU  20          1HD1      LEU  20   7.136  -0.965 -15.174
  135   HD12  LEU  20          2HD1      LEU  20   6.986  -2.456 -16.104
  136   HD13  LEU  20          3HD1      LEU  20   8.073  -2.387 -14.717
  137   HD21  LEU  20          3HD2      LEU  20   5.585  -4.056 -15.611
  138   HD22  LEU  20          1HD2      LEU  20   4.591  -4.105 -14.155
  139   HD23  LEU  20          2HD2      LEU  20   6.279  -4.613 -14.087
  140    H    CYS  21           H        CYS  21   4.600  -0.245 -11.682
  141    HA   CYS  21           HA       CYS  21   1.827  -0.782 -12.407
  142    HB2  CYS  21           2HB      CYS  21   2.570   0.813 -10.531
  143    HB3  CYS  21           3HB      CYS  21   3.008   1.926 -11.822
  144    H    THR  22           H        THR  22   1.563  -1.075 -14.538
  145    HA   THR  22           HA       THR  22   2.419   1.090 -16.318
  146    HB   THR  22           HB       THR  22   3.058  -1.823 -16.656
  147    HG1  THR  22           HG1      THR  22   4.792  -0.666 -15.977
  148   HG21  THR  22          3HG2      THR  22   2.709   0.220 -18.848
  149   HG22  THR  22          1HG2      THR  22   1.881  -1.328 -18.680
  150   HG23  THR  22          2HG2      THR  22   3.606  -1.285 -19.046
  151    HA   PRO  23           HA       PRO  23   2.078   1.930 -18.177
  152    HB2  PRO  23           2HB      PRO  23   0.371   3.979 -18.684
  153    HB3  PRO  23           3HB      PRO  23   0.699   2.692 -19.850
  154    HG2  PRO  23           2HG      PRO  23  -1.615   3.008 -17.977
  155    HG3  PRO  23           3HG      PRO  23  -1.612   2.504 -19.678
  156    HD2  PRO  23           2HD      PRO  23  -1.806   0.737 -17.635
  157    HD3  PRO  23           3HD      PRO  23  -0.999   0.342 -19.167
  158    HA   PRO  24           HA       PRO  24   2.534   4.352 -14.536
  159    HB2  PRO  24           2HB      PRO  24   3.362   6.761 -15.475
  160    HB3  PRO  24           3HB      PRO  24   4.385   5.319 -15.494
  161    HG2  PRO  24           2HG      PRO  24   2.771   6.525 -17.708
  162    HG3  PRO  24           3HG      PRO  24   4.418   5.869 -17.753
  163    HD2  PRO  24           2HD      PRO  24   2.268   4.472 -18.624
  164    HD3  PRO  24           3HD      PRO  24   3.679   3.689 -17.885
  165    H    ILE  25           H        ILE  25   1.700   7.140 -16.474
  166    HA   ILE  25           HA       ILE  25  -0.107   8.186 -14.621
  167    HB   ILE  25           HB       ILE  25  -0.212   8.806 -17.565
  168   HG12  ILE  25          2HG1      ILE  25   1.797   9.716 -15.500
  169   HG13  ILE  25          3HG1      ILE  25   2.121   8.875 -17.012
  170   HG21  ILE  25          1HG2      ILE  25  -1.425  10.590 -16.988
  171   HG22  ILE  25          2HG2      ILE  25  -1.650   9.779 -15.439
  172   HG23  ILE  25          3HG2      ILE  25  -0.370  10.977 -15.629
  173   HD11  ILE  25          3HD1      ILE  25   0.876  11.076 -17.938
  174   HD12  ILE  25          1HD1      ILE  25   1.651  11.724 -16.493
  175   HD13  ILE  25          2HD1      ILE  25   2.623  10.934 -17.736
  176    H    ILE  26           H        ILE  26  -1.899   7.154 -13.998
  177    HA   ILE  26           HA       ILE  26  -3.998   6.275 -14.073
  178    HB   ILE  26           HB       ILE  26  -4.040   6.901 -17.022
  179   HG12  ILE  26          2HG1      ILE  26  -3.383   8.925 -15.856
  180   HG13  ILE  26          3HG1      ILE  26  -5.061   9.070 -16.370
  181   HG21  ILE  26          1HG2      ILE  26  -6.048   6.151 -14.976
  182   HG22  ILE  26          2HG2      ILE  26  -6.532   7.328 -16.196
  183   HG23  ILE  26          3HG2      ILE  26  -5.961   5.734 -16.687
  184   HD11  ILE  26          3HD1      ILE  26  -5.747   8.422 -14.070
  185   HD12  ILE  26          1HD1      ILE  26  -4.049   8.491 -13.600
  186   HD13  ILE  26          2HD1      ILE  26  -4.867   9.948 -14.166
  187    H    GLY  27           H        GLY  27  -3.099   4.200 -13.654
  188    HA2  GLY  27           2HA      GLY  27  -3.829   2.238 -15.587
  189    HA3  GLY  27           3HA      GLY  27  -2.082   2.400 -15.486
  190    H    PHE  28           H        PHE  28  -2.710   0.013 -14.889
  191    HA   PHE  28           HA       PHE  28  -2.730  -0.109 -11.949
  192    HB2  PHE  28           2HB      PHE  28  -3.952  -2.304 -13.591
  193    HB3  PHE  28           3HB      PHE  28  -4.224  -1.902 -11.899
  194    HD1  PHE  28           HD2      PHE  28  -4.995  -0.964 -15.370
  195    HD2  PHE  28           HD1      PHE  28  -5.864  -0.303 -11.256
  196    HE1  PHE  28           HE2      PHE  28  -7.005   0.306 -16.002
  197    HE2  PHE  28           HE1      PHE  28  -7.876   0.968 -11.881
  198    HZ   PHE  28           HZ       PHE  28  -8.448   1.275 -14.257
  199    H    CYS  29           H        CYS  29  -1.243  -1.427 -11.030
  200    HA   CYS  29           HA       CYS  29   0.867  -2.427 -12.707
  201    HB2  CYS  29           2HB      CYS  29   1.900  -3.111 -10.533
  202    HB3  CYS  29           3HB      CYS  29   1.479  -1.404 -10.616
  203    H    LEU  30           H        LEU  30   1.168  -4.443 -13.411
  204    HA   LEU  30           HA       LEU  30  -0.234  -6.652 -12.095
  205    HB2  LEU  30           2HB      LEU  30  -0.978  -7.558 -14.218
  206    HB3  LEU  30           3HB      LEU  30  -1.649  -5.951 -13.951
  207    HG   LEU  30           HG       LEU  30   0.814  -6.256 -15.613
  208   HD11  LEU  30          1HD1      LEU  30  -1.424  -7.731 -16.204
  209   HD12  LEU  30          2HD1      LEU  30  -0.199  -7.205 -17.358
  210   HD13  LEU  30          3HD1      LEU  30  -1.667  -6.253 -17.137
  211   HD21  LEU  30          3HD2      LEU  30  -1.480  -4.324 -15.431
  212   HD22  LEU  30          1HD2      LEU  30  -0.364  -4.339 -16.797
  213   HD23  LEU  30          2HD2      LEU  30   0.239  -4.021 -15.171
  Start of MODEL   11
    1    H1   CYS   1           H        CYS   1   1.742   0.391   0.793
    2    HA   CYS   1           HA       CYS   1   2.445   1.053  -1.422
    3    HB2  CYS   1           2HB      CYS   1   3.528  -1.050  -0.158
    4    HB3  CYS   1           3HB      CYS   1   2.951  -1.870  -1.605
    5    H    ILE   2           H        ILE   2  -0.198   1.017  -1.859
    6    HA   ILE   2           HA       ILE   2  -1.751   0.777  -3.505
    7    HB   ILE   2           HB       ILE   2   0.593  -0.322  -5.059
    8   HG12  ILE   2          2HG1      ILE   2   0.712   2.069  -4.305
    9   HG13  ILE   2          3HG1      ILE   2   0.730   1.862  -6.053
   10   HG21  ILE   2          1HG2      ILE   2  -0.952   0.359  -7.024
   11   HG22  ILE   2          2HG2      ILE   2  -1.218  -1.184  -6.214
   12   HG23  ILE   2          3HG2      ILE   2  -2.247   0.198  -5.838
   13   HD11  ILE   2          3HD1      ILE   2  -1.960   2.181  -5.083
   14   HD12  ILE   2          1HD1      ILE   2  -0.932   3.517  -4.568
   15   HD13  ILE   2          2HD1      ILE   2  -1.073   3.123  -6.281
   16    H    ALA   3           H        ALA   3  -3.347  -0.664  -3.688
   17    HA   ALA   3           HA       ALA   3  -3.053  -3.299  -2.681
   18    HB1  ALA   3           1HB      ALA   3  -5.456  -3.280  -4.040
   19    HB2  ALA   3           2HB      ALA   3  -5.210  -2.852  -2.346
   20    HB3  ALA   3           3HB      ALA   3  -5.222  -1.593  -3.581
   21    H    HIS   4           H        HIS   4  -3.542  -5.289  -3.823
   22    HA   HIS   4           HA       HIS   4  -1.954  -5.745  -6.037
   23    HB2  HIS   4           2HB      HIS   4  -4.251  -7.239  -4.823
   24    HB3  HIS   4           3HB      HIS   4  -3.547  -7.804  -6.336
   25    HD1  HIS   4           HD1      HIS   4  -1.475  -6.344  -3.556
   26    HD2  HIS   4           HD2      HIS   4  -2.335 -10.040  -5.247
   27    HE1  HIS   4           HE1      HIS   4   0.164  -7.951  -2.530
   28    H    TYR   5           H        TYR   5  -2.116  -5.134  -8.082
   29    HA   TYR   5           HA       TYR   5  -2.955  -4.371 -10.054
   30    HB2  TYR   5           2HB      TYR   5  -5.557  -5.748  -9.546
   31    HB3  TYR   5           3HB      TYR   5  -4.602  -5.669 -11.022
   32    HD1  TYR   5           HD1      TYR   5  -2.204  -6.852 -10.783
   33    HD2  TYR   5           HD2      TYR   5  -5.647  -7.777  -8.461
   34    HE1  TYR   5           HE1      TYR   5  -1.277  -9.080 -10.308
   35    HE2  TYR   5           HE2      TYR   5  -4.729 -10.007  -7.979
   36    HH   TYR   5           HH       TYR   5  -1.563 -11.005  -9.246
   37    H    GLY   6           H        GLY   6  -3.347  -2.718  -7.750
   38    HA2  GLY   6           2HA      GLY   6  -5.990  -1.522  -8.208
   39    HA3  GLY   6           3HA      GLY   6  -4.935  -1.191  -6.842
   40    H    LYS   7           H        LYS   7  -6.263   0.674  -8.665
   41    HA   LYS   7           HA       LYS   7  -4.622   1.784 -10.590
   42    HB2  LYS   7           2HB      LYS   7  -6.943   2.591  -9.090
   43    HB3  LYS   7           3HB      LYS   7  -5.842   3.952  -9.260
   44    HG2  LYS   7           2HG      LYS   7  -6.039   2.628 -11.771
   45    HG3  LYS   7           3HG      LYS   7  -7.665   2.920 -11.151
   46    HD2  LYS   7           2HD      LYS   7  -6.904   4.802 -12.496
   47    HD3  LYS   7           3HD      LYS   7  -7.103   5.282 -10.809
   48    HE2  LYS   7           2HE      LYS   7  -4.677   4.998 -10.474
   49    HE3  LYS   7           3HE      LYS   7  -4.505   4.593 -12.181
   50    HZ1  LYS   7           3HZ      LYS   7  -5.416   6.803 -12.712
   51    HZ2  LYS   7           1HZ      LYS   7  -3.964   6.889 -11.847
   52    HZ3  LYS   7           2HZ      LYS   7  -5.433   7.182 -11.063
   53    H    CYS   8           H        CYS   8  -3.170   3.564 -10.577
   54    HA   CYS   8           HA       CYS   8  -1.783   3.932  -8.002
   55    HB2  CYS   8           2HB      CYS   8  -0.510   4.181 -10.727
   56    HB3  CYS   8           3HB      CYS   8   0.295   4.092  -9.164
   57    H    ASP   9           H        ASP   9  -0.552   6.006  -7.855
   58    HA   ASP   9           HA       ASP   9  -2.261   8.198  -8.179
   59    HB2  ASP   9           2HB      ASP   9   0.743   8.329  -7.874
   60    HB3  ASP   9           3HB      ASP   9  -0.429   9.561  -7.416
   61    H    GLY  10           H        GLY  10  -0.202   6.663 -10.419
   62    HA2  GLY  10           2HA      GLY  10  -0.487   7.195 -12.763
   63    HA3  GLY  10           3HA      GLY  10  -0.636   8.886 -12.309
   64    H    ILE  11           H        ILE  11   1.216  10.093 -11.860
   65    HA   ILE  11           HA       ILE  11   3.498   9.460 -13.353
   66    HB   ILE  11           HB       ILE  11   4.566  11.376 -12.293
   67   HG12  ILE  11          2HG1      ILE  11   2.545  12.414 -10.630
   68   HG13  ILE  11          3HG1      ILE  11   2.739  10.730 -10.155
   69   HG21  ILE  11          1HG2      ILE  11   3.023  11.856 -14.066
   70   HG22  ILE  11          2HG2      ILE  11   1.656  11.788 -12.955
   71   HG23  ILE  11          3HG2      ILE  11   2.840  13.088 -12.817
   72   HD11  ILE  11          3HD1      ILE  11   5.023  11.048  -9.642
   73   HD12  ILE  11          1HD1      ILE  11   5.043  12.638 -10.404
   74   HD13  ILE  11          2HD1      ILE  11   4.143  12.388  -8.908
   75    H    ILE  12           H        ILE  12   2.558   8.488 -10.213
   76    HA   ILE  12           HA       ILE  12   5.299   7.739  -9.487
   77    HB   ILE  12           HB       ILE  12   2.802   7.561  -7.798
   78   HG12  ILE  12          2HG1      ILE  12   4.984   9.658  -7.785
   79   HG13  ILE  12          3HG1      ILE  12   3.356   9.892  -8.411
   80   HG21  ILE  12          1HG2      ILE  12   5.175   7.769  -6.271
   81   HG22  ILE  12          2HG2      ILE  12   4.053   6.413  -6.373
   82   HG23  ILE  12          3HG2      ILE  12   5.425   6.507  -7.477
   83   HD11  ILE  12          3HD1      ILE  12   2.922  10.704  -6.382
   84   HD12  ILE  12          1HD1      ILE  12   2.859   9.014  -5.884
   85   HD13  ILE  12          2HD1      ILE  12   4.342   9.942  -5.667
   86    H    ASN  13           H        ASN  13   5.822   5.872 -10.474
   87    HA   ASN  13           HA       ASN  13   3.877   3.715 -10.662
   88    HB2  ASN  13           2HB      ASN  13   6.714   3.947 -11.689
   89    HB3  ASN  13           3HB      ASN  13   5.659   2.565 -11.968
   90   HD21  ASN  13          1HD2      ASN  13   5.639   6.097 -12.294
   91   HD22  ASN  13          2HD2      ASN  13   4.832   6.121 -13.822
   92    H    GLN  14           H        GLN  14   4.884   4.521  -8.049
   93    HA   GLN  14           HA       GLN  14   6.730   2.472  -7.206
   94    HB2  GLN  14           2HB      GLN  14   6.633   4.775  -6.205
   95    HB3  GLN  14           3HB      GLN  14   5.093   4.332  -5.479
   96    HG2  GLN  14           2HG      GLN  14   7.010   4.145  -3.935
   97    HG3  GLN  14           3HG      GLN  14   6.132   2.633  -4.156
   98   HE21  GLN  14          1HE2      GLN  14   8.530   4.171  -6.242
   99   HE22  GLN  14          2HE2      GLN  14   9.675   2.879  -6.180
  100    H    CYS  15           H        CYS  15   5.227   0.772  -8.105
  101    HA   CYS  15           HA       CYS  15   3.135   0.067  -6.157
  102    HB2  CYS  15           2HB      CYS  15   2.583   0.355  -8.657
  103    HB3  CYS  15           3HB      CYS  15   3.441  -1.166  -8.888
  104    H    CYS  16           H        CYS  16   4.056  -1.172  -4.633
  105    HA   CYS  16           HA       CYS  16   6.280  -2.759  -4.779
  106    HB2  CYS  16           2HB      CYS  16   3.810  -2.878  -3.095
  107    HB3  CYS  16           3HB      CYS  16   4.987  -4.182  -2.978
  108    H    ASP  17           H        ASP  17   2.995  -4.144  -4.834
  109    HA   ASP  17           HA       ASP  17   3.999  -6.191  -6.703
  110    HB2  ASP  17           2HB      ASP  17   1.947  -7.489  -5.574
  111    HB3  ASP  17           3HB      ASP  17   3.577  -7.538  -4.909
  112    HA   PRO  18           HA       PRO  18   2.601  -8.166  -7.312
  113    HB2  PRO  18           2HB      PRO  18   2.484  -8.885  -9.928
  114    HB3  PRO  18           3HB      PRO  18   1.111  -9.043  -8.826
  115    HG2  PRO  18           2HG      PRO  18   1.690  -6.902 -10.836
  116    HG3  PRO  18           3HG      PRO  18   0.155  -7.714 -10.477
  117    HD2  PRO  18           2HD      PRO  18   0.757  -5.251  -9.527
  118    HD3  PRO  18           3HD      PRO  18  -0.251  -6.402  -8.626
  119    H    TRP  19           H        TRP  19   3.301  -6.084 -10.126
  120    HA   TRP  19           HA       TRP  19   6.168  -6.496  -9.599
  121    HB2  TRP  19           2HB      TRP  19   4.701  -6.601 -12.227
  122    HB3  TRP  19           3HB      TRP  19   6.426  -6.255 -12.149
  123    HD1  TRP  19           HD1      TRP  19   4.228  -9.061 -12.687
  124    HE1  TRP  19           HE1      TRP  19   5.384 -11.302 -12.167
  125    HE3  TRP  19           HE3      TRP  19   8.253  -7.309 -10.068
  126    HZ2  TRP  19           HZ2      TRP  19   7.696 -12.206 -10.824
  127    HZ3  TRP  19           HZ3      TRP  19   9.890  -8.927  -9.199
  128    HH2  TRP  19           HH2      TRP  19   9.615 -11.324  -9.569
  129    H    LEU  20           H        LEU  20   4.892  -4.611 -12.244
  130    HA   LEU  20           HA       LEU  20   5.588  -2.142 -10.799
  131    HB2  LEU  20           2HB      LEU  20   6.302  -1.271 -13.076
  132    HB3  LEU  20           3HB      LEU  20   7.372  -2.423 -12.279
  133    HG   LEU  20           HG       LEU  20   5.398  -3.468 -14.246
  134   HD11  LEU  20          1HD1      LEU  20   6.743  -1.333 -15.072
  135   HD12  LEU  20          2HD1      LEU  20   6.450  -2.724 -16.116
  136   HD13  LEU  20          3HD1      LEU  20   8.007  -2.542 -15.307
  137   HD21  LEU  20          3HD2      LEU  20   7.672  -4.405 -12.815
  138   HD22  LEU  20          1HD2      LEU  20   8.027  -4.474 -14.541
  139   HD23  LEU  20          2HD2      LEU  20   6.604  -5.296 -13.900
  140    H    CYS  21           H        CYS  21   4.575  -0.183 -11.706
  141    HA   CYS  21           HA       CYS  21   1.808  -0.749 -12.427
  142    HB2  CYS  21           2HB      CYS  21   2.539   0.860 -10.560
  143    HB3  CYS  21           3HB      CYS  21   2.965   1.972 -11.856
  144    H    THR  22           H        THR  22   1.542  -1.055 -14.556
  145    HA   THR  22           HA       THR  22   2.378   1.109 -16.348
  146    HB   THR  22           HB       THR  22   2.994  -1.812 -16.707
  147    HG1  THR  22           HG1      THR  22   4.688  -0.599 -15.913
  148   HG21  THR  22          3HG2      THR  22   1.850  -1.221 -18.736
  149   HG22  THR  22          1HG2      THR  22   3.581  -1.258 -19.071
  150   HG23  THR  22          2HG2      THR  22   2.756   0.287 -18.863
  151    HA   PRO  23           HA       PRO  23   2.022   1.947 -18.202
  152    HB2  PRO  23           2HB      PRO  23   0.303   3.989 -18.700
  153    HB3  PRO  23           3HB      PRO  23   0.631   2.703 -19.867
  154    HG2  PRO  23           2HG      PRO  23  -1.675   3.008 -17.983
  155    HG3  PRO  23           3HG      PRO  23  -1.679   2.504 -19.684
  156    HD2  PRO  23           2HD      PRO  23  -1.854   0.737 -17.640
  157    HD3  PRO  23           3HD      PRO  23  -1.054   0.345 -19.175
  158    HA   PRO  24           HA       PRO  24   2.485   4.372 -14.563
  159    HB2  PRO  24           2HB      PRO  24   3.300   6.783 -15.507
  160    HB3  PRO  24           3HB      PRO  24   4.328   5.346 -15.530
  161    HG2  PRO  24           2HG      PRO  24   2.699   6.545 -17.737
  162    HG3  PRO  24           3HG      PRO  24   4.348   5.894 -17.789
  163    HD2  PRO  24           2HD      PRO  24   2.199   4.489 -18.650
  164    HD3  PRO  24           3HD      PRO  24   3.618   3.712 -17.918
  165    H    ILE  25           H        ILE  25   1.620   7.145 -16.514
  166    HA   ILE  25           HA       ILE  25  -0.180   8.188 -14.647
  167    HB   ILE  25           HB       ILE  25  -0.309   8.810 -17.589
  168   HG12  ILE  25          2HG1      ILE  25   1.734   9.694 -15.549
  169   HG13  ILE  25          3HG1      ILE  25   2.028   8.883 -17.083
  170   HG21  ILE  25          1HG2      ILE  25  -1.487  10.619 -16.998
  171   HG22  ILE  25          2HG2      ILE  25  -1.737   9.778 -15.469
  172   HG23  ILE  25          3HG2      ILE  25  -0.441  10.965 -15.620
  173   HD11  ILE  25          3HD1      ILE  25   2.555  10.983 -17.709
  174   HD12  ILE  25          1HD1      ILE  25   0.817  11.070 -17.998
  175   HD13  ILE  25          2HD1      ILE  25   1.498  11.727 -16.509
  176    H    ILE  26           H        ILE  26  -1.967   7.154 -14.019
  177    HA   ILE  26           HA       ILE  26  -4.064   6.266 -14.087
  178    HB   ILE  26           HB       ILE  26  -4.119   6.879 -17.038
  179   HG12  ILE  26          2HG1      ILE  26  -3.455   8.911 -15.889
  180   HG13  ILE  26          3HG1      ILE  26  -5.135   9.053 -16.393
  181   HG21  ILE  26          1HG2      ILE  26  -6.605   7.310 -16.210
  182   HG22  ILE  26          2HG2      ILE  26  -6.035   5.710 -16.680
  183   HG23  ILE  26          3HG2      ILE  26  -6.118   6.151 -14.974
  184   HD11  ILE  26          3HD1      ILE  26  -4.102   8.494 -13.627
  185   HD12  ILE  26          1HD1      ILE  26  -4.928   9.944 -14.196
  186   HD13  ILE  26          2HD1      ILE  26  -5.804   8.417 -14.083
  187    H    GLY  27           H        GLY  27  -3.114   4.201 -13.670
  188    HA2  GLY  27           2HA      GLY  27  -3.855   2.228 -15.594
  189    HA3  GLY  27           3HA      GLY  27  -2.109   2.400 -15.499
  190    H    PHE  28           H        PHE  28  -2.736   0.010 -14.896
  191    HA   PHE  28           HA       PHE  28  -2.737  -0.106 -11.956
  192    HB2  PHE  28           2HB      PHE  28  -3.961  -2.309 -13.583
  193    HB3  PHE  28           3HB      PHE  28  -4.230  -1.898 -11.893
  194    HD1  PHE  28           HD1      PHE  28  -5.004  -0.969 -15.366
  195    HD2  PHE  28           HD2      PHE  28  -5.878  -0.311 -11.253
  196    HE1  PHE  28           HE1      PHE  28  -7.019   0.294 -16.000
  197    HE2  PHE  28           HE2      PHE  28  -7.894   0.952 -11.880
  198    HZ   PHE  28           HZ       PHE  28  -8.467   1.255 -14.256
  199    H    CYS  29           H        CYS  29  -1.242  -1.418 -11.042
  200    HA   CYS  29           HA       CYS  29   0.862  -2.416 -12.726
  201    HB2  CYS  29           2HB      CYS  29   1.904  -3.099 -10.556
  202    HB3  CYS  29           3HB      CYS  29   1.481  -1.392 -10.638
  203    H    LEU  30           H        LEU  30   1.151  -4.427 -13.444
  204    HA   LEU  30           HA       LEU  30  -0.229  -6.643 -12.116
  205    HB2  LEU  30           2HB      LEU  30  -0.983  -7.548 -14.243
  206    HB3  LEU  30           3HB      LEU  30  -1.677  -5.956 -13.942
  207    HG   LEU  30           HG       LEU  30   0.763  -6.208 -15.651
  208   HD11  LEU  30          1HD1      LEU  30  -0.849  -7.873 -16.495
  209   HD12  LEU  30          2HD1      LEU  30  -0.596  -6.537 -17.617
  210   HD13  LEU  30          3HD1      LEU  30  -2.059  -6.597 -16.635
  211   HD21  LEU  30          3HD2      LEU  30   0.303  -3.987 -15.350
  212   HD22  LEU  30          1HD2      LEU  30  -1.434  -4.253 -15.192
  213   HD23  LEU  30          2HD2      LEU  30  -0.674  -4.313 -16.783
  Start of MODEL   12
    1    H1   CYS   1           H        CYS   1   1.325  -0.627   0.559
    2    HA   CYS   1           HA       CYS   1   2.473   0.996  -1.510
    3    HB2  CYS   1           2HB      CYS   1   3.378  -1.157  -0.169
    4    HB3  CYS   1           3HB      CYS   1   2.774  -1.953  -1.618
    5    H    ILE   2           H        ILE   2  -0.164   1.140  -1.959
    6    HA   ILE   2           HA       ILE   2  -1.725   0.959  -3.604
    7    HB   ILE   2           HB       ILE   2   0.545  -0.355  -5.098
    8   HG12  ILE   2          2HG1      ILE   2   0.809   2.052  -4.457
    9   HG13  ILE   2          3HG1      ILE   2   0.801   1.774  -6.195
   10   HG21  ILE   2          1HG2      ILE   2  -1.248  -1.159  -6.281
   11   HG22  ILE   2          2HG2      ILE   2  -2.270   0.219  -5.880
   12   HG23  ILE   2          3HG2      ILE   2  -0.995   0.389  -7.087
   13   HD11  ILE   2          3HD1      ILE   2  -1.517   2.500  -6.308
   14   HD12  ILE   2          1HD1      ILE   2  -1.528   2.757  -4.563
   15   HD13  ILE   2          2HD1      ILE   2  -0.490   3.744  -5.594
   16    H    ALA   3           H        ALA   3  -3.426  -0.361  -3.727
   17    HA   ALA   3           HA       ALA   3  -3.428  -2.912  -2.566
   18    HB1  ALA   3           1HB      ALA   3  -5.576  -2.431  -4.495
   19    HB2  ALA   3           2HB      ALA   3  -5.656  -2.780  -2.768
   20    HB3  ALA   3           3HB      ALA   3  -5.351  -1.134  -3.322
   21    H    HIS   4           H        HIS   4  -3.999  -4.963  -3.597
   22    HA   HIS   4           HA       HIS   4  -2.195  -5.733  -5.563
   23    HB2  HIS   4           2HB      HIS   4  -4.647  -6.957  -4.384
   24    HB3  HIS   4           3HB      HIS   4  -3.968  -7.691  -5.833
   25    HD1  HIS   4           HD1      HIS   4  -1.837  -6.206  -3.110
   26    HD2  HIS   4           HD2      HIS   4  -2.962  -9.931  -4.564
   27    HE1  HIS   4           HE1      HIS   4  -0.357  -7.862  -1.931
   28    H    TYR   5           H        TYR   5  -2.114  -5.305  -7.659
   29    HA   TYR   5           HA       TYR   5  -2.706  -4.627  -9.752
   30    HB2  TYR   5           2HB      TYR   5  -5.328  -6.042  -9.417
   31    HB3  TYR   5           3HB      TYR   5  -4.273  -5.971 -10.825
   32    HD1  TYR   5           HD1      TYR   5  -1.807  -6.998 -10.258
   33    HD2  TYR   5           HD2      TYR   5  -5.472  -8.096  -8.397
   34    HE1  TYR   5           HE1      TYR   5  -0.837  -9.174  -9.645
   35    HE2  TYR   5           HE2      TYR   5  -4.513 -10.274  -7.778
   36    HH   TYR   5           HH       TYR   5  -2.608 -11.474  -7.637
   37    H    GLY   6           H        GLY   6  -3.409  -2.849  -7.603
   38    HA2  GLY   6           2HA      GLY   6  -5.967  -1.709  -8.491
   39    HA3  GLY   6           3HA      GLY   6  -5.120  -1.298  -7.008
   40    H    LYS   7           H        LYS   7  -6.174   0.500  -9.017
   41    HA   LYS   7           HA       LYS   7  -4.269   1.517 -10.765
   42    HB2  LYS   7           2HB      LYS   7  -6.834   2.219  -9.968
   43    HB3  LYS   7           3HB      LYS   7  -5.860   3.608  -9.506
   44    HG2  LYS   7           2HG      LYS   7  -5.468   2.493 -12.225
   45    HG3  LYS   7           3HG      LYS   7  -6.954   3.389 -11.902
   46    HD2  LYS   7           2HD      LYS   7  -4.167   4.417 -11.370
   47    HD3  LYS   7           3HD      LYS   7  -5.133   4.812 -12.793
   48    HE2  LYS   7           2HE      LYS   7  -6.907   5.624 -11.146
   49    HE3  LYS   7           3HE      LYS   7  -5.642   5.539  -9.922
   50    HZ1  LYS   7           3HZ      LYS   7  -5.591   7.186 -12.392
   51    HZ2  LYS   7           1HZ      LYS   7  -4.310   7.054 -11.296
   52    HZ3  LYS   7           2HZ      LYS   7  -5.770   7.753 -10.809
   53    H    CYS   8           H        CYS   8  -2.863   3.335 -10.621
   54    HA   CYS   8           HA       CYS   8  -1.850   3.800  -7.893
   55    HB2  CYS   8           2HB      CYS   8  -0.239   4.143 -10.417
   56    HB3  CYS   8           3HB      CYS   8   0.345   3.995  -8.762
   57    H    ASP   9           H        ASP   9  -0.586   5.930  -7.751
   58    HA   ASP   9           HA       ASP   9  -2.353   8.061  -8.150
   59    HB2  ASP   9           2HB      ASP   9   0.589   7.949  -7.515
   60    HB3  ASP   9           3HB      ASP   9  -0.262   9.482  -7.681
   61    H    GLY  10           H        GLY  10  -0.214   6.549 -10.325
   62    HA2  GLY  10           2HA      GLY  10  -0.459   7.029 -12.681
   63    HA3  GLY  10           3HA      GLY  10  -0.678   8.722 -12.263
   64    H    ILE  11           H        ILE  11   1.128   9.993 -11.752
   65    HA   ILE  11           HA       ILE  11   3.447   9.467 -13.215
   66    HB   ILE  11           HB       ILE  11   4.461  11.364 -12.006
   67   HG12  ILE  11          2HG1      ILE  11   2.237  12.310 -10.527
   68   HG13  ILE  11          3HG1      ILE  11   2.503  10.640 -10.036
   69   HG21  ILE  11          1HG2      ILE  11   1.598  11.900 -12.781
   70   HG22  ILE  11          2HG2      ILE  11   2.933  13.052 -12.791
   71   HG23  ILE  11          3HG2      ILE  11   2.928  11.699 -13.922
   72   HD11  ILE  11          3HD1      ILE  11   4.665  11.094  -9.276
   73   HD12  ILE  11          1HD1      ILE  11   4.737  12.634 -10.132
   74   HD13  ILE  11          2HD1      ILE  11   3.693  12.456  -8.721
   75    H    ILE  12           H        ILE  12   2.507   8.403 -10.098
   76    HA   ILE  12           HA       ILE  12   5.262   7.683  -9.389
   77    HB   ILE  12           HB       ILE  12   2.788   7.430  -7.678
   78   HG12  ILE  12          2HG1      ILE  12   4.870   9.626  -7.743
   79   HG13  ILE  12          3HG1      ILE  12   3.193   9.779  -8.254
   80   HG21  ILE  12          1HG2      ILE  12   5.250   6.262  -7.375
   81   HG22  ILE  12          2HG2      ILE  12   5.390   7.720  -6.394
   82   HG23  ILE  12          3HG2      ILE  12   4.093   6.568  -6.080
   83   HD11  ILE  12          3HD1      ILE  12   4.257   9.381  -5.478
   84   HD12  ILE  12          1HD1      ILE  12   3.330  10.740  -6.113
   85   HD13  ILE  12          2HD1      ILE  12   2.555   9.171  -5.891
   86    H    ASN  13           H        ASN  13   5.799   5.832 -10.397
   87    HA   ASN  13           HA       ASN  13   3.875   3.664 -10.623
   88    HB2  ASN  13           2HB      ASN  13   6.726   3.925 -11.601
   89    HB3  ASN  13           3HB      ASN  13   5.689   2.534 -11.908
   90   HD21  ASN  13          1HD2      ASN  13   5.650   6.068 -12.214
   91   HD22  ASN  13          2HD2      ASN  13   4.864   6.096 -13.752
   92    H    GLN  14           H        GLN  14   4.839   4.451  -7.987
   93    HA   GLN  14           HA       GLN  14   6.674   2.395  -7.135
   94    HB2  GLN  14           2HB      GLN  14   5.288   4.694  -5.859
   95    HB3  GLN  14           3HB      GLN  14   5.779   3.369  -4.813
   96    HG2  GLN  14           2HG      GLN  14   7.414   5.253  -5.016
   97    HG3  GLN  14           3HG      GLN  14   8.056   3.649  -5.363
   98   HE21  GLN  14          1HE2      GLN  14   8.471   3.075  -7.533
   99   HE22  GLN  14          2HE2      GLN  14   8.727   4.284  -8.741
  100    H    CYS  15           H        CYS  15   5.169   0.711  -8.073
  101    HA   CYS  15           HA       CYS  15   3.072  -0.016  -6.139
  102    HB2  CYS  15           2HB      CYS  15   2.480   0.334  -8.607
  103    HB3  CYS  15           3HB      CYS  15   3.365  -1.157  -8.914
  104    H    CYS  16           H        CYS  16   3.983  -1.301  -4.649
  105    HA   CYS  16           HA       CYS  16   6.197  -2.895  -4.832
  106    HB2  CYS  16           2HB      CYS  16   3.707  -3.093  -3.173
  107    HB3  CYS  16           3HB      CYS  16   4.928  -4.357  -3.068
  108    H    ASP  17           H        ASP  17   2.951  -4.354  -4.832
  109    HA   ASP  17           HA       ASP  17   3.948  -6.332  -6.776
  110    HB2  ASP  17           2HB      ASP  17   1.858  -7.624  -5.705
  111    HB3  ASP  17           3HB      ASP  17   3.479  -7.711  -5.021
  112    HA   PRO  18           HA       PRO  18   2.539  -8.284  -7.441
  113    HB2  PRO  18           2HB      PRO  18   2.461  -8.962 -10.068
  114    HB3  PRO  18           3HB      PRO  18   1.067  -9.122  -8.993
  115    HG2  PRO  18           2HG      PRO  18   1.704  -6.956 -10.960
  116    HG3  PRO  18           3HG      PRO  18   0.154  -7.757 -10.640
  117    HD2  PRO  18           2HD      PRO  18   0.766  -5.316  -9.642
  118    HD3  PRO  18           3HD      PRO  18  -0.271  -6.469  -8.777
  119    H    TRP  19           H        TRP  19   3.311  -6.159 -10.202
  120    HA   TRP  19           HA       TRP  19   6.163  -6.599  -9.626
  121    HB2  TRP  19           2HB      TRP  19   4.759  -6.680 -12.290
  122    HB3  TRP  19           3HB      TRP  19   6.487  -6.367 -12.162
  123    HD1  TRP  19           HD1      TRP  19   4.159  -9.140 -12.614
  124    HE1  TRP  19           HE1      TRP  19   5.295 -11.399 -12.132
  125    HE3  TRP  19           HE3      TRP  19   8.366  -7.446 -10.255
  126    HZ2  TRP  19           HZ2      TRP  19   7.661 -12.339 -10.913
  127    HZ3  TRP  19           HZ3      TRP  19  10.016  -9.090  -9.461
  128    HH2  TRP  19           HH2      TRP  19   9.668 -11.485  -9.783
  129    H    LEU  20           H        LEU  20   4.953  -4.705 -12.294
  130    HA   LEU  20           HA       LEU  20   5.673  -2.246 -10.840
  131    HB2  LEU  20           2HB      LEU  20   6.343  -1.374 -13.135
  132    HB3  LEU  20           3HB      LEU  20   7.422  -2.529 -12.356
  133    HG   LEU  20           HG       LEU  20   5.404  -3.554 -14.293
  134   HD11  LEU  20          1HD1      LEU  20   6.674  -3.009 -16.189
  135   HD12  LEU  20          2HD1      LEU  20   8.038  -2.450 -15.222
  136   HD13  LEU  20          3HD1      LEU  20   6.550  -1.505 -15.277
  137   HD21  LEU  20          3HD2      LEU  20   8.068  -4.567 -14.545
  138   HD22  LEU  20          1HD2      LEU  20   6.599  -5.406 -14.047
  139   HD23  LEU  20          2HD2      LEU  20   7.590  -4.578 -12.846
  140    H    CYS  21           H        CYS  21   4.665  -0.270 -11.721
  141    HA   CYS  21           HA       CYS  21   1.880  -0.808 -12.405
  142    HB2  CYS  21           2HB      CYS  21   2.702   0.777 -10.520
  143    HB3  CYS  21           3HB      CYS  21   3.012   1.915 -11.827
  144    H    THR  22           H        THR  22   1.589  -1.066 -14.537
  145    HA   THR  22           HA       THR  22   2.407   1.136 -16.290
  146    HB   THR  22           HB       THR  22   3.090  -1.758 -16.664
  147    HG1  THR  22           HG1      THR  22   4.727  -0.363 -15.960
  148   HG21  THR  22          3HG2      THR  22   2.621   0.262 -18.854
  149   HG22  THR  22          1HG2      THR  22   1.834  -1.302 -18.651
  150   HG23  THR  22          2HG2      THR  22   3.545  -1.223 -19.072
  151    HA   PRO  23           HA       PRO  23   2.050   1.978 -18.156
  152    HB2  PRO  23           2HB      PRO  23   0.335   4.027 -18.637
  153    HB3  PRO  23           3HB      PRO  23   0.652   2.744 -19.811
  154    HG2  PRO  23           2HG      PRO  23  -1.642   3.050 -17.911
  155    HG3  PRO  23           3HG      PRO  23  -1.657   2.552 -19.613
  156    HD2  PRO  23           2HD      PRO  23  -1.825   0.778 -17.575
  157    HD3  PRO  23           3HD      PRO  23  -1.036   0.389 -19.117
  158    HA   PRO  24           HA       PRO  24   2.544   4.389 -14.512
  159    HB2  PRO  24           2HB      PRO  24   3.359   6.802 -15.453
  160    HB3  PRO  24           3HB      PRO  24   4.383   5.362 -15.488
  161    HG2  PRO  24           2HG      PRO  24   2.743   6.573 -17.679
  162    HG3  PRO  24           3HG      PRO  24   4.390   5.918 -17.745
  163    HD2  PRO  24           2HD      PRO  24   2.232   4.522 -18.597
  164    HD3  PRO  24           3HD      PRO  24   3.653   3.738 -17.877
  165    H    ILE  25           H        ILE  25   1.683   7.180 -16.435
  166    HA   ILE  25           HA       ILE  25  -0.109   8.212 -14.555
  167    HB   ILE  25           HB       ILE  25  -0.212   8.854 -17.496
  168   HG12  ILE  25          2HG1      ILE  25   1.755   9.797 -15.404
  169   HG13  ILE  25          3HG1      ILE  25   2.117   8.936 -16.896
  170   HG21  ILE  25          1HG2      ILE  25  -1.660   9.804 -15.347
  171   HG22  ILE  25          2HG2      ILE  25  -0.412  11.026 -15.580
  172   HG23  ILE  25          3HG2      ILE  25  -1.481  10.592 -16.914
  173   HD11  ILE  25          3HD1      ILE  25   1.053  10.989 -18.049
  174   HD12  ILE  25          1HD1      ILE  25   1.334  11.787 -16.502
  175   HD13  ILE  25          2HD1      ILE  25   2.690  11.109 -17.403
  176    H    ILE  26           H        ILE  26  -1.913   7.210 -13.934
  177    HA   ILE  26           HA       ILE  26  -4.007   6.317 -14.003
  178    HB   ILE  26           HB       ILE  26  -4.057   6.993 -16.941
  179   HG12  ILE  26          2HG1      ILE  26  -3.425   8.996 -15.724
  180   HG13  ILE  26          3HG1      ILE  26  -5.101   9.136 -16.244
  181   HG21  ILE  26          1HG2      ILE  26  -6.030   6.088 -14.952
  182   HG22  ILE  26          2HG2      ILE  26  -6.559   7.390 -16.016
  183   HG23  ILE  26          3HG2      ILE  26  -5.995   5.867 -16.701
  184   HD11  ILE  26          3HD1      ILE  26  -4.831   9.965 -13.992
  185   HD12  ILE  26          1HD1      ILE  26  -5.837   8.517 -13.994
  186   HD13  ILE  26          2HD1      ILE  26  -4.152   8.420 -13.481
  187    H    GLY  27           H        GLY  27  -2.898   4.268 -13.648
  188    HA2  GLY  27           2HA      GLY  27  -3.698   2.319 -15.610
  189    HA3  GLY  27           3HA      GLY  27  -1.954   2.480 -15.472
  190    H    PHE  28           H        PHE  28  -2.625   0.081 -14.929
  191    HA   PHE  28           HA       PHE  28  -2.673  -0.089 -11.992
  192    HB2  PHE  28           2HB      PHE  28  -3.897  -2.263 -13.649
  193    HB3  PHE  28           3HB      PHE  28  -4.215  -1.826 -11.973
  194    HD1  PHE  28           HD1      PHE  28  -4.862  -0.937 -15.482
  195    HD2  PHE  28           HD2      PHE  28  -5.852  -0.195 -11.410
  196    HE1  PHE  28           HE1      PHE  28  -6.832   0.350 -16.199
  197    HE2  PHE  28           HE2      PHE  28  -7.824   1.093 -12.120
  198    HZ   PHE  28           HZ       PHE  28  -8.317   1.366 -14.518
  199    H    CYS  29           H        CYS  29  -1.215  -1.445 -11.081
  200    HA   CYS  29           HA       CYS  29   0.898  -2.444 -12.753
  201    HB2  CYS  29           2HB      CYS  29   1.886  -3.197 -10.574
  202    HB3  CYS  29           3HB      CYS  29   1.514  -1.477 -10.644
  203    H    LEU  30           H        LEU  30   1.162  -4.444 -13.510
  204    HA   LEU  30           HA       LEU  30  -0.267  -6.664 -12.244
  205    HB2  LEU  30           2HB      LEU  30  -0.987  -7.516 -14.421
  206    HB3  LEU  30           3HB      LEU  30  -1.701  -5.947 -14.052
  207    HG   LEU  30           HG       LEU  30   0.752  -6.080 -15.753
  208   HD11  LEU  30          1HD1      LEU  30  -2.019  -6.883 -16.540
  209   HD12  LEU  30          2HD1      LEU  30  -0.476  -7.626 -16.960
  210   HD13  LEU  30          3HD1      LEU  30  -0.949  -6.097 -17.702
  211   HD21  LEU  30          3HD2      LEU  30  -1.550  -4.216 -15.330
  212   HD22  LEU  30          1HD2      LEU  30  -0.611  -4.156 -16.822
  213   HD23  LEU  30          2HD2      LEU  30   0.182  -3.888 -15.270
  Start of MODEL   13
    1    H1   CYS   1           H        CYS   1   1.183  -1.015   0.477
    2    HA   CYS   1           HA       CYS   1   2.454   0.914  -1.325
    3    HB2  CYS   1           2HB      CYS   1   3.546  -1.236  -0.162
    4    HB3  CYS   1           3HB      CYS   1   2.926  -2.007  -1.618
    5    H    ILE   2           H        ILE   2  -0.124   1.025  -1.804
    6    HA   ILE   2           HA       ILE   2  -1.688   0.880  -3.451
    7    HB   ILE   2           HB       ILE   2   0.596  -0.367  -4.980
    8   HG12  ILE   2          2HG1      ILE   2   0.815   2.030  -4.284
    9   HG13  ILE   2          3HG1      ILE   2   0.814   1.790  -6.027
   10   HG21  ILE   2          1HG2      ILE   2  -0.944   0.374  -6.957
   11   HG22  ILE   2          2HG2      ILE   2  -1.201  -1.179  -6.163
   12   HG23  ILE   2          3HG2      ILE   2  -2.227   0.198  -5.761
   13   HD11  ILE   2          3HD1      ILE   2  -1.040   2.996  -6.305
   14   HD12  ILE   2          1HD1      ILE   2  -1.832   2.284  -4.900
   15   HD13  ILE   2          2HD1      ILE   2  -0.692   3.614  -4.690
   16    H    ALA   3           H        ALA   3  -3.380  -0.448  -3.624
   17    HA   ALA   3           HA       ALA   3  -3.374  -3.024  -2.525
   18    HB1  ALA   3           1HB      ALA   3  -5.314  -1.374  -4.033
   19    HB2  ALA   3           2HB      ALA   3  -5.620  -3.110  -3.960
   20    HB3  ALA   3           3HB      ALA   3  -5.477  -2.176  -2.471
   21    H    HIS   4           H        HIS   4  -3.926  -5.055  -3.610
   22    HA   HIS   4           HA       HIS   4  -2.101  -5.738  -5.605
   23    HB2  HIS   4           2HB      HIS   4  -4.456  -7.060  -4.356
   24    HB3  HIS   4           3HB      HIS   4  -3.857  -7.738  -5.867
   25    HD1  HIS   4           HD1      HIS   4  -1.718  -6.319  -3.086
   26    HD2  HIS   4           HD2      HIS   4  -2.594  -9.958  -4.889
   27    HE1  HIS   4           HE1      HIS   4  -0.100  -7.969  -2.093
   28    H    TYR   5           H        TYR   5  -2.075  -5.283  -7.696
   29    HA   TYR   5           HA       TYR   5  -2.727  -4.643  -9.781
   30    HB2  TYR   5           2HB      TYR   5  -5.349  -6.033  -9.373
   31    HB3  TYR   5           3HB      TYR   5  -4.327  -5.983 -10.805
   32    HD1  TYR   5           HD1      TYR   5  -1.874  -7.049 -10.323
   33    HD2  TYR   5           HD2      TYR   5  -5.477  -8.061  -8.298
   34    HE1  TYR   5           HE1      TYR   5  -0.914  -9.231  -9.718
   35    HE2  TYR   5           HE2      TYR   5  -4.526 -10.246  -7.687
   36    HH   TYR   5           HH       TYR   5  -2.723 -11.544  -7.723
   37    H    GLY   6           H        GLY   6  -3.336  -2.841  -7.638
   38    HA2  GLY   6           2HA      GLY   6  -5.921  -1.694  -8.433
   39    HA3  GLY   6           3HA      GLY   6  -5.012  -1.272  -6.989
   40    H    LYS   7           H        LYS   7  -6.117   0.571  -8.860
   41    HA   LYS   7           HA       LYS   7  -4.253   1.539 -10.719
   42    HB2  LYS   7           2HB      LYS   7  -6.815   2.229  -9.908
   43    HB3  LYS   7           3HB      LYS   7  -5.851   3.633  -9.469
   44    HG2  LYS   7           2HG      LYS   7  -5.483   2.486 -12.181
   45    HG3  LYS   7           3HG      LYS   7  -6.962   3.389 -11.849
   46    HD2  LYS   7           2HD      LYS   7  -4.166   4.416 -11.366
   47    HD3  LYS   7           3HD      LYS   7  -5.153   4.799 -12.778
   48    HE2  LYS   7           2HE      LYS   7  -6.899   5.635 -11.116
   49    HE3  LYS   7           3HE      LYS   7  -5.620   5.553  -9.906
   50    HZ1  LYS   7           3HZ      LYS   7  -5.613   7.192 -12.381
   51    HZ2  LYS   7           1HZ      LYS   7  -4.294   7.041 -11.332
   52    HZ3  LYS   7           2HZ      LYS   7  -5.726   7.758 -10.791
   53    H    CYS   8           H        CYS   8  -2.854   3.361 -10.620
   54    HA   CYS   8           HA       CYS   8  -1.820   3.887  -7.912
   55    HB2  CYS   8           2HB      CYS   8  -0.230   4.191 -10.453
   56    HB3  CYS   8           3HB      CYS   8   0.366   4.069  -8.800
   57    H    ASP   9           H        ASP   9  -0.576   6.026  -7.812
   58    HA   ASP   9           HA       ASP   9  -2.359   8.137  -8.258
   59    HB2  ASP   9           2HB      ASP   9   0.607   8.136  -7.684
   60    HB3  ASP   9           3HB      ASP   9  -0.369   9.601  -7.729
   61    H    GLY  10           H        GLY  10  -0.210   6.592 -10.395
   62    HA2  GLY  10           2HA      GLY  10  -0.446   7.033 -12.760
   63    HA3  GLY  10           3HA      GLY  10  -0.664   8.733 -12.372
   64    H    ILE  11           H        ILE  11   1.144  10.008 -11.867
   65    HA   ILE  11           HA       ILE  11   3.465   9.464 -13.317
   66    HB   ILE  11           HB       ILE  11   4.478  11.372 -12.144
   67   HG12  ILE  11          2HG1      ILE  11   2.254  12.292 -10.624
   68   HG13  ILE  11          3HG1      ILE  11   2.602  10.642 -10.116
   69   HG21  ILE  11          1HG2      ILE  11   1.601  11.948 -12.823
   70   HG22  ILE  11          2HG2      ILE  11   2.976  13.046 -12.944
   71   HG23  ILE  11          3HG2      ILE  11   2.858  11.658 -14.026
   72   HD11  ILE  11          3HD1      ILE  11   3.755  12.543  -8.876
   73   HD12  ILE  11          1HD1      ILE  11   4.754  11.192  -9.412
   74   HD13  ILE  11          2HD1      ILE  11   4.760  12.708 -10.315
   75    H    ILE  12           H        ILE  12   2.521   8.447 -10.180
   76    HA   ILE  12           HA       ILE  12   5.270   7.722  -9.462
   77    HB   ILE  12           HB       ILE  12   2.777   7.509  -7.772
   78   HG12  ILE  12          2HG1      ILE  12   4.939   9.627  -7.754
   79   HG13  ILE  12          3HG1      ILE  12   3.304   9.849  -8.367
   80   HG21  ILE  12          1HG2      ILE  12   5.259   7.732  -6.340
   81   HG22  ILE  12          2HG2      ILE  12   4.027   6.473  -6.257
   82   HG23  ILE  12          3HG2      ILE  12   5.313   6.370  -7.459
   83   HD11  ILE  12          3HD1      ILE  12   2.927  10.675  -6.323
   84   HD12  ILE  12          1HD1      ILE  12   2.784   8.977  -5.868
   85   HD13  ILE  12          2HD1      ILE  12   4.305   9.834  -5.613
   86    H    ASN  13           H        ASN  13   5.812   5.866 -10.459
   87    HA   ASN  13           HA       ASN  13   3.891   3.693 -10.671
   88    HB2  ASN  13           2HB      ASN  13   6.740   3.947 -11.659
   89    HB3  ASN  13           3HB      ASN  13   5.696   2.562 -11.962
   90   HD21  ASN  13          1HD2      ASN  13   5.686   6.095 -12.276
   91   HD22  ASN  13          2HD2      ASN  13   4.892   6.126 -13.810
   92    H    GLN  14           H        GLN  14   4.863   4.496  -8.043
   93    HA   GLN  14           HA       GLN  14   6.706   2.448  -7.188
   94    HB2  GLN  14           2HB      GLN  14   6.356   4.862  -6.231
   95    HB3  GLN  14           3HB      GLN  14   5.080   4.099  -5.292
   96    HG2  GLN  14           2HG      GLN  14   6.783   3.862  -3.825
   97    HG3  GLN  14           3HG      GLN  14   7.018   2.380  -4.751
   98   HE21  GLN  14          1HE2      GLN  14   8.575   2.489  -6.535
   99   HE22  GLN  14          2HE2      GLN  14   9.971   3.489  -6.351
  100    H    CYS  15           H        CYS  15   5.195   0.759  -8.108
  101    HA   CYS  15           HA       CYS  15   3.110   0.042  -6.156
  102    HB2  CYS  15           2HB      CYS  15   2.511   0.381  -8.629
  103    HB3  CYS  15           3HB      CYS  15   3.379  -1.123  -8.922
  104    H    CYS  16           H        CYS  16   4.032  -1.237  -4.667
  105    HA   CYS  16           HA       CYS  16   6.244  -2.839  -4.875
  106    HB2  CYS  16           2HB      CYS  16   3.794  -2.980  -3.157
  107    HB3  CYS  16           3HB      CYS  16   4.985  -4.274  -3.071
  108    H    ASP  17           H        ASP  17   2.972  -4.245  -4.828
  109    HA   ASP  17           HA       ASP  17   3.924  -6.269  -6.748
  110    HB2  ASP  17           2HB      ASP  17   3.016  -7.916  -5.504
  111    HB3  ASP  17           3HB      ASP  17   3.029  -6.731  -4.201
  112    HA   PRO  18           HA       PRO  18   2.486  -8.212  -7.370
  113    HB2  PRO  18           2HB      PRO  18   2.366  -8.919  -9.989
  114    HB3  PRO  18           3HB      PRO  18   0.985  -9.052  -8.894
  115    HG2  PRO  18           2HG      PRO  18   1.618  -6.916 -10.893
  116    HG3  PRO  18           3HG      PRO  18   0.065  -7.697 -10.544
  117    HD2  PRO  18           2HD      PRO  18   0.715  -5.250  -9.582
  118    HD3  PRO  18           3HD      PRO  18  -0.322  -6.382  -8.690
  119    H    TRP  19           H        TRP  19   3.244  -6.125 -10.165
  120    HA   TRP  19           HA       TRP  19   6.099  -6.601  -9.628
  121    HB2  TRP  19           2HB      TRP  19   4.596  -6.816 -12.206
  122    HB3  TRP  19           3HB      TRP  19   6.267  -6.262 -12.237
  123    HD1  TRP  19           HD1      TRP  19   4.447  -9.314 -12.684
  124    HE1  TRP  19           HE1      TRP  19   5.879 -11.390 -12.170
  125    HE3  TRP  19           HE3      TRP  19   8.264  -7.057 -10.139
  126    HZ2  TRP  19           HZ2      TRP  19   8.306 -11.991 -10.858
  127    HZ3  TRP  19           HZ3      TRP  19  10.102  -8.454  -9.287
  128    HH2  TRP  19           HH2      TRP  19  10.120 -10.870  -9.640
  129    H    LEU  20           H        LEU  20   4.877  -4.690 -12.279
  130    HA   LEU  20           HA       LEU  20   5.634  -2.238 -10.832
  131    HB2  LEU  20           2HB      LEU  20   6.795  -1.407 -12.647
  132    HB3  LEU  20           3HB      LEU  20   7.231  -3.115 -12.653
  133    HG   LEU  20           HG       LEU  20   5.142  -1.868 -14.438
  134   HD11  LEU  20          1HD1      LEU  20   6.952  -2.457 -16.186
  135   HD12  LEU  20          2HD1      LEU  20   8.061  -2.404 -14.816
  136   HD13  LEU  20          3HD1      LEU  20   7.120  -0.975 -15.244
  137   HD21  LEU  20          3HD2      LEU  20   6.268  -4.631 -14.149
  138   HD22  LEU  20          1HD2      LEU  20   5.588  -4.076 -15.679
  139   HD23  LEU  20          2HD2      LEU  20   4.581  -4.120 -14.231
  140    H    CYS  21           H        CYS  21   4.654  -0.254 -11.721
  141    HA   CYS  21           HA       CYS  21   1.866  -0.760 -12.420
  142    HB2  CYS  21           2HB      CYS  21   2.713   0.829 -10.539
  143    HB3  CYS  21           3HB      CYS  21   3.017   1.956 -11.857
  144    H    THR  22           H        THR  22   1.573  -1.015 -14.550
  145    HA   THR  22           HA       THR  22   2.407   1.173 -16.306
  146    HB   THR  22           HB       THR  22   3.140  -1.710 -16.645
  147    HG1  THR  22           HG1      THR  22   4.608   0.060 -15.956
  148   HG21  THR  22          3HG2      THR  22   2.584   0.253 -18.865
  149   HG22  THR  22          1HG2      THR  22   1.890  -1.353 -18.641
  150   HG23  THR  22          2HG2      THR  22   3.592  -1.180 -19.070
  151    HA   PRO  23           HA       PRO  23   2.065   1.997 -18.187
  152    HB2  PRO  23           2HB      PRO  23   0.338   4.028 -18.701
  153    HB3  PRO  23           3HB      PRO  23   0.678   2.739 -19.862
  154    HG2  PRO  23           2HG      PRO  23  -1.638   3.040 -17.990
  155    HG3  PRO  23           3HG      PRO  23  -1.631   2.529 -19.688
  156    HD2  PRO  23           2HD      PRO  23  -1.806   0.769 -17.638
  157    HD3  PRO  23           3HD      PRO  23  -0.997   0.375 -19.168
  158    HA   PRO  24           HA       PRO  24   2.499   4.436 -14.554
  159    HB2  PRO  24           2HB      PRO  24   3.312   6.846 -15.503
  160    HB3  PRO  24           3HB      PRO  24   4.345   5.412 -15.514
  161    HG2  PRO  24           2HG      PRO  24   2.726   6.597 -17.736
  162    HG3  PRO  24           3HG      PRO  24   4.377   5.951 -17.775
  163    HD2  PRO  24           2HD      PRO  24   2.238   4.536 -18.643
  164    HD3  PRO  24           3HD      PRO  24   3.654   3.766 -17.899
  165    H    ILE  25           H        ILE  25   1.679   7.237 -16.463
  166    HA   ILE  25           HA       ILE  25  -0.135   8.282 -14.636
  167    HB   ILE  25           HB       ILE  25  -0.203   8.836 -17.599
  168   HG12  ILE  25          2HG1      ILE  25   1.333  10.791 -16.267
  169   HG13  ILE  25          3HG1      ILE  25   1.938   9.234 -15.712
  170   HG21  ILE  25          1HG2      ILE  25  -0.791  11.149 -16.697
  171   HG22  ILE  25          2HG2      ILE  25  -2.023   9.895 -16.572
  172   HG23  ILE  25          3HG2      ILE  25  -1.075  10.343 -15.154
  173   HD11  ILE  25          3HD1      ILE  25   3.005  10.305 -17.780
  174   HD12  ILE  25          1HD1      ILE  25   2.590   8.592 -17.842
  175   HD13  ILE  25          2HD1      ILE  25   1.548   9.781 -18.625
  176    H    ILE  26           H        ILE  26  -1.919   7.263 -13.978
  177    HA   ILE  26           HA       ILE  26  -3.999   6.338 -14.009
  178    HB   ILE  26           HB       ILE  26  -4.088   7.026 -16.946
  179   HG12  ILE  26          2HG1      ILE  26  -3.484   8.995 -15.562
  180   HG13  ILE  26          3HG1      ILE  26  -5.071   9.155 -16.307
  181   HG21  ILE  26          1HG2      ILE  26  -6.057   5.994 -16.814
  182   HG22  ILE  26          2HG2      ILE  26  -5.968   5.889 -15.056
  183   HG23  ILE  26          3HG2      ILE  26  -6.595   7.349 -15.822
  184   HD11  ILE  26          3HD1      ILE  26  -6.100   8.477 -14.175
  185   HD12  ILE  26          1HD1      ILE  26  -4.496   8.428 -13.446
  186   HD13  ILE  26          2HD1      ILE  26  -5.147   9.954 -14.044
  187    H    GLY  27           H        GLY  27  -3.005   4.278 -13.638
  188    HA2  GLY  27           2HA      GLY  27  -3.766   2.329 -15.595
  189    HA3  GLY  27           3HA      GLY  27  -2.021   2.495 -15.475
  190    H    PHE  28           H        PHE  28  -2.669   0.097 -14.916
  191    HA   PHE  28           HA       PHE  28  -2.700  -0.062 -11.978
  192    HB2  PHE  28           2HB      PHE  28  -3.920  -2.242 -13.635
  193    HB3  PHE  28           3HB      PHE  28  -4.217  -1.828 -11.950
  194    HD1  PHE  28           HD2      PHE  28  -4.931  -0.914 -15.438
  195    HD2  PHE  28           HD1      PHE  28  -5.852  -0.209 -11.342
  196    HE1  PHE  28           HE2      PHE  28  -6.923   0.364 -16.109
  197    HE2  PHE  28           HE1      PHE  28  -7.847   1.069 -12.008
  198    HZ   PHE  28           HZ       PHE  28  -8.384   1.358 -14.394
  199    H    CYS  29           H        CYS  29  -1.225  -1.401 -11.070
  200    HA   CYS  29           HA       CYS  29   0.888  -2.388 -12.748
  201    HB2  CYS  29           2HB      CYS  29   1.892  -3.126 -10.571
  202    HB3  CYS  29           3HB      CYS  29   1.506  -1.409 -10.644
  203    H    LEU  30           H        LEU  30   1.184  -4.394 -13.483
  204    HA   LEU  30           HA       LEU  30  -0.240  -6.617 -12.215
  205    HB2  LEU  30           2HB      LEU  30  -0.982  -7.481 -14.353
  206    HB3  LEU  30           3HB      LEU  30  -1.635  -5.868 -14.073
  207    HG   LEU  30           HG       LEU  30   0.840  -6.182 -15.717
  208   HD11  LEU  30          1HD1      LEU  30  -1.522  -7.545 -16.333
  209   HD12  LEU  30          2HD1      LEU  30  -0.156  -7.227 -17.400
  210   HD13  LEU  30          3HD1      LEU  30  -1.518  -6.109 -17.356
  211   HD21  LEU  30          3HD2      LEU  30  -0.621  -4.288 -16.896
  212   HD22  LEU  30          1HD2      LEU  30   0.439  -3.957 -15.525
  213   HD23  LEU  30          2HD2      LEU  30  -1.292  -4.176 -15.268
  Start of MODEL   14
    1    H1   CYS   1           H        CYS   1   1.755   0.839   0.779
    2    HA   CYS   1           HA       CYS   1   2.132   1.799  -1.403
    3    HB2  CYS   1           2HB      CYS   1   3.725   0.057  -2.412
    4    HB3  CYS   1           3HB      CYS   1   4.083   0.636  -0.788
    5    H    ILE   2           H        ILE   2  -0.296   1.539  -1.981
    6    HA   ILE   2           HA       ILE   2  -1.817   1.120  -3.621
    7    HB   ILE   2           HB       ILE   2   0.582   0.021  -5.089
    8   HG12  ILE   2          2HG1      ILE   2   0.634   2.450  -4.482
    9   HG13  ILE   2          3HG1      ILE   2   0.643   2.150  -6.216
   10   HG21  ILE   2          1HG2      ILE   2  -0.942   0.501  -7.106
   11   HG22  ILE   2          2HG2      ILE   2  -1.225  -0.967  -6.171
   12   HG23  ILE   2          3HG2      ILE   2  -2.260   0.441  -5.936
   13   HD11  ILE   2          3HD1      ILE   2  -0.813   4.001  -5.659
   14   HD12  ILE   2          1HD1      ILE   2  -1.744   2.653  -6.311
   15   HD13  ILE   2          2HD1      ILE   2  -1.742   2.966  -4.575
   16    H    ALA   3           H        ALA   3  -3.341  -0.406  -3.730
   17    HA   ALA   3           HA       ALA   3  -2.917  -2.961  -2.559
   18    HB1  ALA   3           1HB      ALA   3  -5.322  -3.227  -3.760
   19    HB2  ALA   3           2HB      ALA   3  -5.076  -2.435  -2.203
   20    HB3  ALA   3           3HB      ALA   3  -5.193  -1.469  -3.674
   21    H    HIS   4           H        HIS   4  -3.400  -5.029  -3.604
   22    HA   HIS   4           HA       HIS   4  -1.785  -5.551  -5.793
   23    HB2  HIS   4           2HB      HIS   4  -3.961  -7.038  -4.403
   24    HB3  HIS   4           3HB      HIS   4  -3.423  -7.645  -5.967
   25    HD1  HIS   4           HD1      HIS   4  -1.174  -6.145  -3.323
   26    HD2  HIS   4           HD2      HIS   4  -1.986  -9.811  -5.102
   27    HE1  HIS   4           HE1      HIS   4   0.599  -7.713  -2.473
   28    H    TYR   5           H        TYR   5  -1.972  -5.059  -7.868
   29    HA   TYR   5           HA       TYR   5  -2.840  -4.426  -9.873
   30    HB2  TYR   5           2HB      TYR   5  -5.388  -5.868  -9.263
   31    HB3  TYR   5           3HB      TYR   5  -4.469  -5.811 -10.762
   32    HD1  TYR   5           HD1      TYR   5  -2.009  -6.877 -10.512
   33    HD2  TYR   5           HD2      TYR   5  -5.384  -7.863  -8.116
   34    HE1  TYR   5           HE1      TYR   5  -0.983  -9.045  -9.970
   35    HE2  TYR   5           HE2      TYR   5  -4.367 -10.034  -7.567
   36    HH   TYR   5           HH       TYR   5  -2.491 -11.269  -7.673
   37    H    GLY   6           H        GLY   6  -3.328  -2.717  -7.581
   38    HA2  GLY   6           2HA      GLY   6  -5.978  -1.595  -8.170
   39    HA3  GLY   6           3HA      GLY   6  -4.991  -1.215  -6.766
   40    H    LYS   7           H        LYS   7  -6.274   0.611  -8.630
   41    HA   LYS   7           HA       LYS   7  -4.621   1.724 -10.536
   42    HB2  LYS   7           2HB      LYS   7  -6.956   2.529  -9.056
   43    HB3  LYS   7           3HB      LYS   7  -5.857   3.893  -9.224
   44    HG2  LYS   7           2HG      LYS   7  -6.040   2.548 -11.729
   45    HG3  LYS   7           3HG      LYS   7  -7.667   2.861 -11.121
   46    HD2  LYS   7           2HD      LYS   7  -6.875   4.724 -12.479
   47    HD3  LYS   7           3HD      LYS   7  -7.087   5.220 -10.799
   48    HE2  LYS   7           2HE      LYS   7  -4.665   4.911 -10.439
   49    HE3  LYS   7           3HE      LYS   7  -4.484   4.502 -12.144
   50    HZ1  LYS   7           3HZ      LYS   7  -3.927   6.799 -11.791
   51    HZ2  LYS   7           1HZ      LYS   7  -5.416   7.099 -11.047
   52    HZ3  LYS   7           2HZ      LYS   7  -5.355   6.715 -12.693
   53    H    CYS   8           H        CYS   8  -3.155   3.483 -10.525
   54    HA   CYS   8           HA       CYS   8  -1.808   3.892  -7.935
   55    HB2  CYS   8           2HB      CYS   8  -0.479   4.085 -10.637
   56    HB3  CYS   8           3HB      CYS   8   0.291   4.002  -9.056
   57    H    ASP   9           H        ASP   9  -0.556   5.961  -7.821
   58    HA   ASP   9           HA       ASP   9  -2.246   8.157  -8.217
   59    HB2  ASP   9           2HB      ASP   9   0.753   8.192  -7.815
   60    HB3  ASP   9           3HB      ASP   9  -0.352   9.533  -7.526
   61    H    GLY  10           H        GLY  10  -0.194   6.548 -10.400
   62    HA2  GLY  10           2HA      GLY  10  -0.454   7.048 -12.757
   63    HA3  GLY  10           3HA      GLY  10  -0.547   8.750 -12.331
   64    H    ILE  11           H        ILE  11   1.343   9.899 -11.887
   65    HA   ILE  11           HA       ILE  11   3.617   9.139 -13.345
   66    HB   ILE  11           HB       ILE  11   4.739  11.058 -12.317
   67   HG12  ILE  11          2HG1      ILE  11   2.629  12.200 -10.799
   68   HG13  ILE  11          3HG1      ILE  11   2.861  10.556 -10.214
   69   HG21  ILE  11          1HG2      ILE  11   3.282  11.492 -14.181
   70   HG22  ILE  11          2HG2      ILE  11   1.877  11.551 -13.119
   71   HG23  ILE  11          3HG2      ILE  11   3.116  12.800 -13.010
   72   HD11  ILE  11          3HD1      ILE  11   5.109  12.522 -10.525
   73   HD12  ILE  11          1HD1      ILE  11   4.180  12.330  -9.038
   74   HD13  ILE  11          2HD1      ILE  11   5.123  10.980  -9.669
   75    H    ILE  12           H        ILE  12   2.600   8.283 -10.208
   76    HA   ILE  12           HA       ILE  12   5.307   7.527  -9.378
   77    HB   ILE  12           HB       ILE  12   2.766   7.339  -7.761
   78   HG12  ILE  12          2HG1      ILE  12   4.850   9.534  -7.800
   79   HG13  ILE  12          3HG1      ILE  12   3.205   9.670  -8.411
   80   HG21  ILE  12          1HG2      ILE  12   4.006   6.465  -6.132
   81   HG22  ILE  12          2HG2      ILE  12   5.275   6.244  -7.336
   82   HG23  ILE  12          3HG2      ILE  12   5.258   7.691  -6.329
   83   HD11  ILE  12          3HD1      ILE  12   3.015  10.655  -6.355
   84   HD12  ILE  12          1HD1      ILE  12   2.555   8.995  -5.980
   85   HD13  ILE  12          2HD1      ILE  12   4.181   9.566  -5.604
   86    H    ASN  13           H        ASN  13   5.864   5.640 -10.302
   87    HA   ASN  13           HA       ASN  13   3.926   3.493 -10.571
   88    HB2  ASN  13           2HB      ASN  13   6.804   3.794 -11.433
   89    HB3  ASN  13           3HB      ASN  13   5.905   2.292 -11.626
   90   HD21  ASN  13          1HD2      ASN  13   4.836   5.637 -12.013
   91   HD22  ASN  13          2HD2      ASN  13   4.393   5.488 -13.677
   92    H    GLN  14           H        GLN  14   4.709   4.332  -7.902
   93    HA   GLN  14           HA       GLN  14   6.476   2.305  -6.866
   94    HB2  GLN  14           2HB      GLN  14   6.037   4.726  -5.976
   95    HB3  GLN  14           3HB      GLN  14   4.682   3.975  -5.144
   96    HG2  GLN  14           2HG      GLN  14   6.270   3.797  -3.533
   97    HG3  GLN  14           3HG      GLN  14   6.533   2.272  -4.375
   98   HE21  GLN  14          1HE2      GLN  14   8.232   2.250  -6.018
   99   HE22  GLN  14          2HE2      GLN  14   9.636   3.226  -5.773
  100    H    CYS  15           H        CYS  15   5.058   0.592  -7.888
  101    HA   CYS  15           HA       CYS  15   2.829  -0.121  -6.101
  102    HB2  CYS  15           2HB      CYS  15   2.481   0.187  -8.652
  103    HB3  CYS  15           3HB      CYS  15   3.298  -1.365  -8.797
  104    H    CYS  16           H        CYS  16   3.636  -1.381  -4.532
  105    HA   CYS  16           HA       CYS  16   5.866  -2.949  -4.507
  106    HB2  CYS  16           2HB      CYS  16   3.231  -3.204  -3.095
  107    HB3  CYS  16           3HB      CYS  16   4.475  -4.429  -2.863
  108    H    ASP  17           H        ASP  17   2.607  -4.308  -5.021
  109    HA   ASP  17           HA       ASP  17   3.823  -6.284  -6.836
  110    HB2  ASP  17           2HB      ASP  17   2.189  -6.694  -4.429
  111    HB3  ASP  17           3HB      ASP  17   1.624  -7.587  -5.839
  112    HA   PRO  18           HA       PRO  18   2.499  -8.286  -7.590
  113    HB2  PRO  18           2HB      PRO  18   2.568  -8.931 -10.226
  114    HB3  PRO  18           3HB      PRO  18   1.129  -9.146  -9.222
  115    HG2  PRO  18           2HG      PRO  18   1.796  -6.937 -11.129
  116    HG3  PRO  18           3HG      PRO  18   0.257  -7.786 -10.895
  117    HD2  PRO  18           2HD      PRO  18   0.747  -5.342  -9.839
  118    HD3  PRO  18           3HD      PRO  18  -0.295  -6.536  -9.039
  119    H    TRP  19           H        TRP  19   3.340  -6.115 -10.296
  120    HA   TRP  19           HA       TRP  19   6.171  -6.456  -9.571
  121    HB2  TRP  19           2HB      TRP  19   4.908  -6.633 -12.298
  122    HB3  TRP  19           3HB      TRP  19   6.608  -6.217 -12.100
  123    HD1  TRP  19           HD1      TRP  19   4.502  -9.124 -12.666
  124    HE1  TRP  19           HE1      TRP  19   5.732 -11.307 -12.079
  125    HE3  TRP  19           HE3      TRP  19   8.413  -7.166 -10.018
  126    HZ2  TRP  19           HZ2      TRP  19   8.053 -12.095 -10.679
  127    HZ3  TRP  19           HZ3      TRP  19  10.094  -8.703  -9.088
  128    HH2  TRP  19           HH2      TRP  19   9.915 -11.116  -9.412
  129    H    LEU  20           H        LEU  20   5.045  -4.631 -12.322
  130    HA   LEU  20           HA       LEU  20   5.657  -2.139 -10.872
  131    HB2  LEU  20           2HB      LEU  20   6.279  -1.266 -13.182
  132    HB3  LEU  20           3HB      LEU  20   7.400  -2.379 -12.400
  133    HG   LEU  20           HG       LEU  20   5.400  -3.480 -14.316
  134   HD11  LEU  20          1HD1      LEU  20   7.890  -1.972 -15.089
  135   HD12  LEU  20          2HD1      LEU  20   6.229  -1.613 -15.561
  136   HD13  LEU  20          3HD1      LEU  20   7.020  -3.071 -16.159
  137   HD21  LEU  20          3HD2      LEU  20   8.037  -4.471 -14.621
  138   HD22  LEU  20          1HD2      LEU  20   6.622  -5.297 -13.970
  139   HD23  LEU  20          2HD2      LEU  20   7.687  -4.391 -12.894
  140    H    CYS  21           H        CYS  21   4.596  -0.194 -11.776
  141    HA   CYS  21           HA       CYS  21   1.821  -0.816 -12.443
  142    HB2  CYS  21           2HB      CYS  21   2.564   0.767 -10.539
  143    HB3  CYS  21           3HB      CYS  21   2.891   1.927 -11.823
  144    H    THR  22           H        THR  22   1.535  -1.062 -14.576
  145    HA   THR  22           HA       THR  22   2.315   1.169 -16.313
  146    HB   THR  22           HB       THR  22   3.055  -1.702 -16.667
  147    HG1  THR  22           HG1      THR  22   4.497   0.160 -16.094
  148   HG21  THR  22          3HG2      THR  22   2.345   0.199 -18.894
  149   HG22  THR  22          1HG2      THR  22   1.717  -1.423 -18.612
  150   HG23  THR  22          2HG2      THR  22   3.390  -1.202 -19.124
  151    HA   PRO  23           HA       PRO  23   1.963   1.987 -18.208
  152    HB2  PRO  23           2HB      PRO  23   0.261   4.043 -18.703
  153    HB3  PRO  23           3HB      PRO  23   0.561   2.743 -19.863
  154    HG2  PRO  23           2HG      PRO  23  -1.719   3.090 -17.954
  155    HG3  PRO  23           3HG      PRO  23  -1.749   2.572 -19.650
  156    HD2  PRO  23           2HD      PRO  23  -1.918   0.824 -17.589
  157    HD3  PRO  23           3HD      PRO  23  -1.141   0.410 -19.130
  158    HA   PRO  24           HA       PRO  24   2.497   4.448 -14.603
  159    HB2  PRO  24           2HB      PRO  24   3.299   6.850 -15.580
  160    HB3  PRO  24           3HB      PRO  24   4.324   5.410 -15.610
  161    HG2  PRO  24           2HG      PRO  24   2.658   6.596 -17.797
  162    HG3  PRO  24           3HG      PRO  24   4.304   5.941 -17.874
  163    HD2  PRO  24           2HD      PRO  24   2.138   4.534 -18.685
  164    HD3  PRO  24           3HD      PRO  24   3.567   3.760 -17.972
  165    H    ILE  25           H        ILE  25   1.637   7.238 -16.513
  166    HA   ILE  25           HA       ILE  25  -0.151   8.269 -14.631
  167    HB   ILE  25           HB       ILE  25  -0.287   8.927 -17.565
  168   HG12  ILE  25          2HG1      ILE  25   1.766   9.779 -15.521
  169   HG13  ILE  25          3HG1      ILE  25   2.053   8.976 -17.061
  170   HG21  ILE  25          1HG2      ILE  25  -0.398  11.061 -15.576
  171   HG22  ILE  25          2HG2      ILE  25  -1.454  10.733 -16.949
  172   HG23  ILE  25          3HG2      ILE  25  -1.699   9.880 -15.425
  173   HD11  ILE  25          3HD1      ILE  25   2.577  11.063 -17.706
  174   HD12  ILE  25          1HD1      ILE  25   0.833  11.193 -17.932
  175   HD13  ILE  25          2HD1      ILE  25   1.580  11.817 -16.461
  176    H    ILE  26           H        ILE  26  -1.931   7.215 -14.006
  177    HA   ILE  26           HA       ILE  26  -4.033   6.340 -14.073
  178    HB   ILE  26           HB       ILE  26  -4.111   7.026 -17.007
  179   HG12  ILE  26          2HG1      ILE  26  -3.438   9.028 -15.818
  180   HG13  ILE  26          3HG1      ILE  26  -5.126   9.182 -16.291
  181   HG21  ILE  26          1HG2      ILE  26  -6.024   6.038 -15.045
  182   HG22  ILE  26          2HG2      ILE  26  -6.590   7.467 -15.909
  183   HG23  ILE  26          3HG2      ILE  26  -6.101   6.031 -16.807
  184   HD11  ILE  26          3HD1      ILE  26  -5.623   8.301 -13.917
  185   HD12  ILE  26          1HD1      ILE  26  -3.957   8.769 -13.578
  186   HD13  ILE  26          2HD1      ILE  26  -5.118   9.978 -14.128
  187    H    GLY  27           H        GLY  27  -3.094   4.261 -13.713
  188    HA2  GLY  27           2HA      GLY  27  -3.844   2.346 -15.702
  189    HA3  GLY  27           3HA      GLY  27  -2.098   2.492 -15.566
  190    H    PHE  28           H        PHE  28  -2.730   0.100 -15.037
  191    HA   PHE  28           HA       PHE  28  -2.822  -0.095 -12.103
  192    HB2  PHE  28           2HB      PHE  28  -4.023  -2.217 -13.864
  193    HB3  PHE  28           3HB      PHE  28  -4.288  -1.931 -12.147
  194    HD1  PHE  28           HD1      PHE  28  -5.055  -0.729 -15.541
  195    HD2  PHE  28           HD2      PHE  28  -5.946  -0.412 -11.391
  196    HE1  PHE  28           HE1      PHE  28  -7.069   0.578 -16.077
  197    HE2  PHE  28           HE2      PHE  28  -7.962   0.895 -11.921
  198    HZ   PHE  28           HZ       PHE  28  -8.527   1.391 -14.266
  199    H    CYS  29           H        CYS  29  -1.361  -1.441 -11.180
  200    HA   CYS  29           HA       CYS  29   0.795  -2.391 -12.823
  201    HB2  CYS  29           2HB      CYS  29   1.748  -3.163 -10.632
  202    HB3  CYS  29           3HB      CYS  29   1.364  -1.445 -10.694
  203    H    LEU  30           H        LEU  30   1.095  -4.374 -13.607
  204    HA   LEU  30           HA       LEU  30  -0.310  -6.635 -12.390
  205    HB2  LEU  30           2HB      LEU  30  -1.085  -7.452 -14.518
  206    HB3  LEU  30           3HB      LEU  30  -1.705  -5.826 -14.240
  207    HG   LEU  30           HG       LEU  30   0.758  -6.203 -15.890
  208   HD11  LEU  30          1HD1      LEU  30  -0.441  -6.655 -17.849
  209   HD12  LEU  30          2HD1      LEU  30  -1.993  -6.322 -17.082
  210   HD13  LEU  30          3HD1      LEU  30  -1.095  -7.778 -16.657
  211   HD21  LEU  30          3HD2      LEU  30   0.210  -3.951 -15.357
  212   HD22  LEU  30          1HD2      LEU  30  -1.485  -4.197 -15.778
  213   HD23  LEU  30          2HD2      LEU  30  -0.252  -4.214 -17.040
  Start of MODEL   15
    1    H1   CYS   1           H        CYS   1   1.112  -0.696  -0.021
    2    HA   CYS   1           HA       CYS   1   2.099   1.673  -1.454
    3    HB2  CYS   1           2HB      CYS   1   3.733   0.024  -2.588
    4    HB3  CYS   1           3HB      CYS   1   4.121   0.597  -0.969
    5    H    ILE   2           H        ILE   2  -0.235   1.486  -2.131
    6    HA   ILE   2           HA       ILE   2  -1.745   1.107  -3.791
    7    HB   ILE   2           HB       ILE   2   0.635  -0.102  -5.203
    8   HG12  ILE   2          2HG1      ILE   2   0.791   2.322  -4.650
    9   HG13  ILE   2          3HG1      ILE   2   0.758   2.010  -6.382
   10   HG21  ILE   2          1HG2      ILE   2  -2.192   0.328  -6.058
   11   HG22  ILE   2          2HG2      ILE   2  -0.891   0.469  -7.239
   12   HG23  ILE   2          3HG2      ILE   2  -1.123  -1.041  -6.359
   13   HD11  ILE   2          3HD1      ILE   2  -0.615   3.909  -5.876
   14   HD12  ILE   2          1HD1      ILE   2  -1.642   2.574  -6.398
   15   HD13  ILE   2          2HD1      ILE   2  -1.527   2.981  -4.685
   16    H    ALA   3           H        ALA   3  -3.327  -0.358  -3.913
   17    HA   ALA   3           HA       ALA   3  -3.063  -2.890  -2.673
   18    HB1  ALA   3           1HB      ALA   3  -5.213  -1.369  -3.992
   19    HB2  ALA   3           2HB      ALA   3  -5.399  -3.123  -3.998
   20    HB3  ALA   3           3HB      ALA   3  -5.218  -2.261  -2.470
   21    H    HIS   4           H        HIS   4  -3.564  -4.976  -3.680
   22    HA   HIS   4           HA       HIS   4  -1.841  -5.603  -5.773
   23    HB2  HIS   4           2HB      HIS   4  -4.133  -7.027  -4.475
   24    HB3  HIS   4           3HB      HIS   4  -3.403  -7.713  -5.923
   25    HD1  HIS   4           HD1      HIS   4  -1.474  -5.997  -3.168
   26    HD2  HIS   4           HD2      HIS   4  -2.081  -9.801  -4.725
   27    HE1  HIS   4           HE1      HIS   4   0.201  -7.473  -2.010
   28    H    TYR   5           H        TYR   5  -1.949  -5.198  -7.872
   29    HA   TYR   5           HA       TYR   5  -2.738  -4.648  -9.933
   30    HB2  TYR   5           2HB      TYR   5  -5.319  -6.043  -9.336
   31    HB3  TYR   5           3HB      TYR   5  -4.369  -6.042 -10.818
   32    HD1  TYR   5           HD1      TYR   5  -1.903  -7.093 -10.448
   33    HD2  TYR   5           HD2      TYR   5  -5.366  -8.017  -8.155
   34    HE1  TYR   5           HE1      TYR   5  -0.900  -9.247  -9.812
   35    HE2  TYR   5           HE2      TYR   5  -4.373 -10.173  -7.512
   36    HH   TYR   5           HH       TYR   5  -1.821 -11.554  -9.057
   37    H    GLY   6           H        GLY   6  -3.330  -2.873  -7.679
   38    HA2  GLY   6           2HA      GLY   6  -5.914  -1.721  -8.471
   39    HA3  GLY   6           3HA      GLY   6  -5.023  -1.333  -7.007
   40    H    LYS   7           H        LYS   7  -6.145   0.446  -9.051
   41    HA   LYS   7           HA       LYS   7  -4.257   1.499 -10.789
   42    HB2  LYS   7           2HB      LYS   7  -6.834   2.156  -9.999
   43    HB3  LYS   7           3HB      LYS   7  -5.888   3.561  -9.527
   44    HG2  LYS   7           2HG      LYS   7  -5.483   2.455 -12.253
   45    HG3  LYS   7           3HG      LYS   7  -6.967   3.351 -11.922
   46    HD2  LYS   7           2HD      LYS   7  -4.176   4.373 -11.400
   47    HD3  LYS   7           3HD      LYS   7  -5.154   4.779 -12.812
   48    HE2  LYS   7           2HE      LYS   7  -6.912   5.584 -11.148
   49    HE3  LYS   7           3HE      LYS   7  -5.640   5.486  -9.932
   50    HZ1  LYS   7           3HZ      LYS   7  -4.307   6.989 -11.359
   51    HZ2  LYS   7           1HZ      LYS   7  -5.722   7.702 -10.763
   52    HZ3  LYS   7           2HZ      LYS   7  -5.651   7.177 -12.370
   53    H    CYS   8           H        CYS   8  -2.866   3.320 -10.649
   54    HA   CYS   8           HA       CYS   8  -1.881   3.831  -7.919
   55    HB2  CYS   8           2HB      CYS   8  -0.241   4.141 -10.428
   56    HB3  CYS   8           3HB      CYS   8   0.322   4.018  -8.765
   57    H    ASP   9           H        ASP   9  -0.638   5.970  -7.790
   58    HA   ASP   9           HA       ASP   9  -2.411   8.082  -8.262
   59    HB2  ASP   9           2HB      ASP   9   0.465   7.910  -7.448
   60    HB3  ASP   9           3HB      ASP   9  -0.224   9.481  -7.847
   61    H    GLY  10           H        GLY  10  -0.228   6.543 -10.367
   62    HA2  GLY  10           2HA      GLY  10  -0.428   6.993 -12.734
   63    HA3  GLY  10           3HA      GLY  10  -0.642   8.692 -12.342
   64    H    ILE  11           H        ILE  11   1.166   9.953 -11.798
   65    HA   ILE  11           HA       ILE  11   3.508   9.396 -13.214
   66    HB   ILE  11           HB       ILE  11   4.507  11.306 -12.049
   67   HG12  ILE  11          2HG1      ILE  11   2.318  12.246 -10.512
   68   HG13  ILE  11          3HG1      ILE  11   2.612  10.581 -10.023
   69   HG21  ILE  11          1HG2      ILE  11   2.938  11.649 -13.924
   70   HG22  ILE  11          2HG2      ILE  11   1.625  11.824 -12.761
   71   HG23  ILE  11          3HG2      ILE  11   2.944  12.994 -12.783
   72   HD11  ILE  11          3HD1      ILE  11   4.856  12.547 -10.209
   73   HD12  ILE  11          1HD1      ILE  11   3.825  12.465  -8.781
   74   HD13  ILE  11          2HD1      ILE  11   4.757  11.053  -9.279
   75    H    ILE  12           H        ILE  12   2.498   8.356 -10.115
   76    HA   ILE  12           HA       ILE  12   5.231   7.637  -9.331
   77    HB   ILE  12           HB       ILE  12   2.710   7.367  -7.694
   78   HG12  ILE  12          2HG1      ILE  12   4.785   9.569  -7.647
   79   HG13  ILE  12          3HG1      ILE  12   3.153   9.724  -8.288
   80   HG21  ILE  12          1HG2      ILE  12   3.970   6.453  -6.102
   81   HG22  ILE  12          2HG2      ILE  12   5.222   6.267  -7.330
   82   HG23  ILE  12          3HG2      ILE  12   5.219   7.685  -6.281
   83   HD11  ILE  12          3HD1      ILE  12   4.073   9.532  -5.467
   84   HD12  ILE  12          1HD1      ILE  12   2.916  10.638  -6.205
   85   HD13  ILE  12          2HD1      ILE  12   2.459   8.964  -5.892
   86    H    ASN  13           H        ASN  13   5.809   5.788 -10.317
   87    HA   ASN  13           HA       ASN  13   3.902   3.615 -10.617
   88    HB2  ASN  13           2HB      ASN  13   6.787   3.891 -11.486
   89    HB3  ASN  13           3HB      ASN  13   5.775   2.490 -11.826
   90   HD21  ASN  13          1HD2      ASN  13   5.710   6.023 -12.142
   91   HD22  ASN  13          2HD2      ASN  13   4.984   6.039 -13.710
   92    H    GLN  14           H        GLN  14   4.755   4.398  -7.944
   93    HA   GLN  14           HA       GLN  14   6.565   2.350  -7.022
   94    HB2  GLN  14           2HB      GLN  14   6.150   4.756  -6.062
   95    HB3  GLN  14           3HB      GLN  14   4.844   3.970  -5.185
   96    HG2  GLN  14           2HG      GLN  14   6.502   3.758  -3.654
   97    HG3  GLN  14           3HG      GLN  14   6.756   2.267  -4.560
   98   HE21  GLN  14          1HE2      GLN  14   8.399   2.302  -6.236
   99   HE22  GLN  14          2HE2      GLN  14   9.787   3.311  -6.034
  100    H    CYS  15           H        CYS  15   5.105   0.663  -8.029
  101    HA   CYS  15           HA       CYS  15   2.942  -0.086  -6.177
  102    HB2  CYS  15           2HB      CYS  15   2.419   0.283  -8.650
  103    HB3  CYS  15           3HB      CYS  15   3.341  -1.185  -8.957
  104    H    CYS  16           H        CYS  16   3.791  -1.390  -4.670
  105    HA   CYS  16           HA       CYS  16   6.021  -2.969  -4.782
  106    HB2  CYS  16           2HB      CYS  16   3.449  -3.316  -3.253
  107    HB3  CYS  16           3HB      CYS  16   4.803  -4.422  -3.046
  108    H    ASP  17           H        ASP  17   2.786  -4.444  -4.927
  109    HA   ASP  17           HA       ASP  17   3.864  -6.380  -6.870
  110    HB2  ASP  17           2HB      ASP  17   1.469  -7.229  -5.419
  111    HB3  ASP  17           3HB      ASP  17   2.982  -8.088  -5.696
  112    HA   PRO  18           HA       PRO  18   2.490  -8.348  -7.587
  113    HB2  PRO  18           2HB      PRO  18   2.472  -8.992 -10.224
  114    HB3  PRO  18           3HB      PRO  18   1.060  -9.184  -9.178
  115    HG2  PRO  18           2HG      PRO  18   1.705  -6.984 -11.103
  116    HG3  PRO  18           3HG      PRO  18   0.161  -7.809 -10.824
  117    HD2  PRO  18           2HD      PRO  18   0.720  -5.374  -9.782
  118    HD3  PRO  18           3HD      PRO  18  -0.317  -6.552  -8.952
  119    H    TRP  19           H        TRP  19   3.287  -6.178 -10.307
  120    HA   TRP  19           HA       TRP  19   6.133  -6.593  -9.684
  121    HB2  TRP  19           2HB      TRP  19   4.735  -6.759 -12.331
  122    HB3  TRP  19           3HB      TRP  19   6.414  -6.228 -12.262
  123    HD1  TRP  19           HD1      TRP  19   4.423  -9.281 -12.595
  124    HE1  TRP  19           HE1      TRP  19   5.859 -11.374 -12.168
  125    HE3  TRP  19           HE3      TRP  19   8.503  -7.047 -10.474
  126    HZ2  TRP  19           HZ2      TRP  19   8.386 -11.995 -11.075
  127    HZ3  TRP  19           HZ3      TRP  19  10.387  -8.462  -9.764
  128    HH2  TRP  19           HH2      TRP  19  10.328 -10.885 -10.059
  129    H    LEU  20           H        LEU  20   4.951  -4.666 -12.341
  130    HA   LEU  20           HA       LEU  20   5.604  -2.223 -10.829
  131    HB2  LEU  20           2HB      LEU  20   6.337  -1.302 -13.078
  132    HB3  LEU  20           3HB      LEU  20   7.401  -2.472 -12.301
  133    HG   LEU  20           HG       LEU  20   5.447  -3.499 -14.288
  134   HD11  LEU  20          1HD1      LEU  20   6.212  -1.599 -15.494
  135   HD12  LEU  20          2HD1      LEU  20   7.100  -2.995 -16.102
  136   HD13  LEU  20          3HD1      LEU  20   7.880  -1.871 -14.989
  137   HD21  LEU  20          3HD2      LEU  20   6.826  -5.267 -14.334
  138   HD22  LEU  20          1HD2      LEU  20   7.470  -4.598 -12.835
  139   HD23  LEU  20          2HD2      LEU  20   8.276  -4.262 -14.367
  140    H    CYS  21           H        CYS  21   4.598  -0.246 -11.711
  141    HA   CYS  21           HA       CYS  21   1.840  -0.806 -12.480
  142    HB2  CYS  21           2HB      CYS  21   2.639   0.784 -10.561
  143    HB3  CYS  21           3HB      CYS  21   2.885   1.937 -11.868
  144    H    THR  22           H        THR  22   1.616  -1.043 -14.623
  145    HA   THR  22           HA       THR  22   2.453   1.191 -16.325
  146    HB   THR  22           HB       THR  22   3.187  -1.689 -16.709
  147    HG1  THR  22           HG1      THR  22   4.622   0.116 -15.947
  148   HG21  THR  22          3HG2      THR  22   2.726   0.338 -18.895
  149   HG22  THR  22          1HG2      THR  22   1.974  -1.248 -18.722
  150   HG23  THR  22          2HG2      THR  22   3.691  -1.123 -19.104
  151    HA   PRO  23           HA       PRO  23   2.143   2.044 -18.198
  152    HB2  PRO  23           2HB      PRO  23   0.422   4.080 -18.710
  153    HB3  PRO  23           3HB      PRO  23   0.784   2.810 -19.885
  154    HG2  PRO  23           2HG      PRO  23  -1.565   3.078 -18.049
  155    HG3  PRO  23           3HG      PRO  23  -1.528   2.594 -19.754
  156    HD2  PRO  23           2HD      PRO  23  -1.735   0.802 -17.736
  157    HD3  PRO  23           3HD      PRO  23  -0.899   0.433 -19.258
  158    HA   PRO  24           HA       PRO  24   2.510   4.424 -14.519
  159    HB2  PRO  24           2HB      PRO  24   3.340   6.848 -15.415
  160    HB3  PRO  24           3HB      PRO  24   4.373   5.414 -15.429
  161    HG2  PRO  24           2HG      PRO  24   2.795   6.634 -17.662
  162    HG3  PRO  24           3HG      PRO  24   4.447   5.989 -17.681
  163    HD2  PRO  24           2HD      PRO  24   2.324   4.588 -18.610
  164    HD3  PRO  24           3HD      PRO  24   3.726   3.806 -17.853
  165    H    ILE  25           H        ILE  25   1.726   7.255 -16.397
  166    HA   ILE  25           HA       ILE  25  -0.115   8.280 -14.590
  167    HB   ILE  25           HB       ILE  25  -0.157   8.857 -17.550
  168   HG12  ILE  25          2HG1      ILE  25   1.376  10.800 -16.206
  169   HG13  ILE  25          3HG1      ILE  25   1.969   9.243 -15.638
  170   HG21  ILE  25          1HG2      ILE  25  -1.982   9.910 -16.520
  171   HG22  ILE  25          2HG2      ILE  25  -1.037  10.348 -15.098
  172   HG23  ILE  25          3HG2      ILE  25  -0.747  11.163 -16.635
  173   HD11  ILE  25          3HD1      ILE  25   1.801  10.190 -18.486
  174   HD12  ILE  25          1HD1      ILE  25   3.258   9.927 -17.529
  175   HD13  ILE  25          2HD1      ILE  25   2.253   8.556 -18.002
  176    H    ILE  26           H        ILE  26  -1.895   7.233 -13.958
  177    HA   ILE  26           HA       ILE  26  -3.972   6.305 -14.018
  178    HB   ILE  26           HB       ILE  26  -4.045   7.035 -16.944
  179   HG12  ILE  26          2HG1      ILE  26  -3.451   8.989 -15.545
  180   HG13  ILE  26          3HG1      ILE  26  -5.043   9.152 -16.276
  181   HG21  ILE  26          1HG2      ILE  26  -6.557   7.329 -16.093
  182   HG22  ILE  26          2HG2      ILE  26  -5.927   5.796 -16.695
  183   HG23  ILE  26          3HG2      ILE  26  -6.023   6.089 -14.959
  184   HD11  ILE  26          3HD1      ILE  26  -5.139   9.924 -14.018
  185   HD12  ILE  26          1HD1      ILE  26  -6.042   8.414 -14.134
  186   HD13  ILE  26          2HD1      ILE  26  -4.426   8.423 -13.426
  187    H    GLY  27           H        GLY  27  -2.979   4.241 -13.671
  188    HA2  GLY  27           2HA      GLY  27  -3.716   2.322 -15.667
  189    HA3  GLY  27           3HA      GLY  27  -1.973   2.489 -15.525
  190    H    PHE  28           H        PHE  28  -2.631   0.081 -15.011
  191    HA   PHE  28           HA       PHE  28  -2.685  -0.125 -12.077
  192    HB2  PHE  28           2HB      PHE  28  -3.900  -2.276 -13.774
  193    HB3  PHE  28           3HB      PHE  28  -4.210  -1.882 -12.086
  194    HD1  PHE  28           HD1      PHE  28  -4.896  -0.931 -15.568
  195    HD2  PHE  28           HD2      PHE  28  -5.838  -0.253 -11.473
  196    HE1  PHE  28           HE1      PHE  28  -6.878   0.363 -16.241
  197    HE2  PHE  28           HE2      PHE  28  -7.821   1.041 -12.140
  198    HZ   PHE  28           HZ       PHE  28  -8.344   1.350 -14.526
  199    H    CYS  29           H        CYS  29  -1.231  -1.498 -11.178
  200    HA   CYS  29           HA       CYS  29   0.896  -2.459 -12.856
  201    HB2  CYS  29           2HB      CYS  29   1.867  -3.252 -10.677
  202    HB3  CYS  29           3HB      CYS  29   1.509  -1.529 -10.734
  203    H    LEU  30           H        LEU  30   1.183  -4.450 -13.632
  204    HA   LEU  30           HA       LEU  30  -0.266  -6.689 -12.421
  205    HB2  LEU  30           2HB      LEU  30  -0.145  -6.392 -15.400
  206    HB3  LEU  30           3HB      LEU  30  -1.176  -7.447 -14.436
  207    HG   LEU  30           HG       LEU  30  -1.932  -4.896 -13.664
  208   HD11  LEU  30          1HD1      LEU  30  -1.433  -4.969 -16.635
  209   HD12  LEU  30          2HD1      LEU  30  -0.705  -3.870 -15.465
  210   HD13  LEU  30          3HD1      LEU  30  -2.432  -3.774 -15.808
  211   HD21  LEU  30          3HD2      LEU  30  -3.669  -6.342 -13.875
  212   HD22  LEU  30          1HD2      LEU  30  -3.028  -7.074 -15.347
  213   HD23  LEU  30          2HD2      LEU  30  -3.839  -5.510 -15.421
  Start of MODEL   16
    1    H1   CYS   1           H        CYS   1   1.625   0.443   0.797
    2    HA   CYS   1           HA       CYS   1   2.386   1.008  -1.391
    3    HB2  CYS   1           2HB      CYS   1   3.429  -1.120  -0.121
    4    HB3  CYS   1           3HB      CYS   1   2.865  -1.915  -1.587
    5    H    ILE   2           H        ILE   2  -0.255   1.004  -1.841
    6    HA   ILE   2           HA       ILE   2  -1.802   0.780  -3.495
    7    HB   ILE   2           HB       ILE   2   0.539  -0.339  -5.037
    8   HG12  ILE   2          2HG1      ILE   2   0.676   2.050  -4.286
    9   HG13  ILE   2          3HG1      ILE   2   0.694   1.844  -6.034
   10   HG21  ILE   2          1HG2      ILE   2  -0.991   0.352  -7.011
   11   HG22  ILE   2          2HG2      ILE   2  -1.271  -1.189  -6.202
   12   HG23  ILE   2          3HG2      ILE   2  -2.293   0.199  -5.831
   13   HD11  ILE   2          3HD1      ILE   2  -0.949   3.519  -4.559
   14   HD12  ILE   2          1HD1      ILE   2  -1.105   3.111  -6.268
   15   HD13  ILE   2          2HD1      ILE   2  -1.993   2.188  -5.056
   16    H    ALA   3           H        ALA   3  -3.413  -0.643  -3.690
   17    HA   ALA   3           HA       ALA   3  -3.160  -3.278  -2.678
   18    HB1  ALA   3           1HB      ALA   3  -5.241  -2.123  -2.430
   19    HB2  ALA   3           2HB      ALA   3  -5.402  -1.935  -4.176
   20    HB3  ALA   3           3HB      ALA   3  -5.515  -3.537  -3.447
   21    H    HIS   4           H        HIS   4  -3.658  -5.266  -3.821
   22    HA   HIS   4           HA       HIS   4  -2.045  -5.741  -6.016
   23    HB2  HIS   4           2HB      HIS   4  -4.301  -7.211  -4.735
   24    HB3  HIS   4           3HB      HIS   4  -3.744  -7.766  -6.312
   25    HD1  HIS   4           HD1      HIS   4  -1.425  -6.429  -3.663
   26    HD2  HIS   4           HD2      HIS   4  -2.492 -10.050  -5.399
   27    HE1  HIS   4           HE1      HIS   4   0.251  -8.102  -2.815
   28    H    TYR   5           H        TYR   5  -2.185  -5.145  -8.067
   29    HA   TYR   5           HA       TYR   5  -3.001  -4.385 -10.050
   30    HB2  TYR   5           2HB      TYR   5  -5.614  -5.748  -9.553
   31    HB3  TYR   5           3HB      TYR   5  -4.653  -5.674 -11.026
   32    HD1  TYR   5           HD1      TYR   5  -2.260  -6.865 -10.778
   33    HD2  TYR   5           HD2      TYR   5  -5.713  -7.775  -8.465
   34    HE1  TYR   5           HE1      TYR   5  -1.342  -9.095 -10.296
   35    HE2  TYR   5           HE2      TYR   5  -4.804 -10.008  -7.976
   36    HH   TYR   5           HH       TYR   5  -3.177 -11.600  -9.016
   37    H    GLY   6           H        GLY   6  -3.407  -2.720  -7.755
   38    HA2  GLY   6           2HA      GLY   6  -6.036  -1.508  -8.250
   39    HA3  GLY   6           3HA      GLY   6  -4.999  -1.183  -6.869
   40    H    LYS   7           H        LYS   7  -6.286   0.690  -8.711
   41    HA   LYS   7           HA       LYS   7  -4.622   1.787 -10.619
   42    HB2  LYS   7           2HB      LYS   7  -6.944   2.613  -9.140
   43    HB3  LYS   7           3HB      LYS   7  -5.826   3.963  -9.277
   44    HG2  LYS   7           2HG      LYS   7  -5.970   2.713 -11.812
   45    HG3  LYS   7           3HG      LYS   7  -7.619   2.931 -11.220
   46    HD2  LYS   7           2HD      LYS   7  -6.900   4.877 -12.492
   47    HD3  LYS   7           3HD      LYS   7  -7.142   5.301 -10.796
   48    HE2  LYS   7           2HE      LYS   7  -4.746   5.172 -10.403
   49    HE3  LYS   7           3HE      LYS   7  -4.482   4.675 -12.074
   50    HZ1  LYS   7           3HZ      LYS   7  -5.418   6.819 -12.781
   51    HZ2  LYS   7           1HZ      LYS   7  -4.023   7.006 -11.841
   52    HZ3  LYS   7           2HZ      LYS   7  -5.545   7.293 -11.162
   53    H    CYS   8           H        CYS   8  -3.145   3.547 -10.596
   54    HA   CYS   8           HA       CYS   8  -1.769   3.896  -8.013
   55    HB2  CYS   8           2HB      CYS   8  -0.474   4.130 -10.729
   56    HB3  CYS   8           3HB      CYS   8   0.318   4.025  -9.161
   57    H    ASP   9           H        ASP   9  -0.506   5.954  -7.865
   58    HA   ASP   9           HA       ASP   9  -2.184   8.168  -8.197
   59    HB2  ASP   9           2HB      ASP   9   0.795   8.015  -7.708
   60    HB3  ASP   9           3HB      ASP   9  -0.131   9.512  -7.643
   61    H    GLY  10           H        GLY  10  -0.161   6.596 -10.435
   62    HA2  GLY  10           2HA      GLY  10  -0.390   7.116 -12.774
   63    HA3  GLY  10           3HA      GLY  10  -0.575   8.808 -12.336
   64    H    ILE  11           H        ILE  11   1.252  10.048 -11.861
   65    HA   ILE  11           HA       ILE  11   3.558   9.464 -13.330
   66    HB   ILE  11           HB       ILE  11   4.597  11.374 -12.187
   67   HG12  ILE  11          2HG1      ILE  11   2.405  12.343 -10.659
   68   HG13  ILE  11          3HG1      ILE  11   2.720  10.690 -10.140
   69   HG21  ILE  11          1HG2      ILE  11   1.718  11.898 -12.910
   70   HG22  ILE  11          2HG2      ILE  11   3.035  13.069 -12.927
   71   HG23  ILE  11          3HG2      ILE  11   3.040  11.720 -14.063
   72   HD11  ILE  11          3HD1      ILE  11   4.946  11.211  -9.541
   73   HD12  ILE  11          1HD1      ILE  11   4.862  12.785 -10.332
   74   HD13  ILE  11          2HD1      ILE  11   3.923  12.481  -8.870
   75    H    ILE  12           H        ILE  12   2.607   8.454 -10.203
   76    HA   ILE  12           HA       ILE  12   5.355   7.714  -9.484
   77    HB   ILE  12           HB       ILE  12   2.877   7.551  -7.768
   78   HG12  ILE  12          2HG1      ILE  12   5.044   9.662  -7.820
   79   HG13  ILE  12          3HG1      ILE  12   3.395   9.878  -8.397
   80   HG21  ILE  12          1HG2      ILE  12   5.345   7.788  -6.339
   81   HG22  ILE  12          2HG2      ILE  12   4.140   6.502  -6.276
   82   HG23  ILE  12          3HG2      ILE  12   5.439   6.435  -7.467
   83   HD11  ILE  12          3HD1      ILE  12   2.865   9.089  -5.909
   84   HD12  ILE  12          1HD1      ILE  12   4.452   9.811  -5.644
   85   HD13  ILE  12          2HD1      ILE  12   3.150  10.775  -6.343
   86    H    ASN  13           H        ASN  13   5.861   5.835 -10.456
   87    HA   ASN  13           HA       ASN  13   3.903   3.692 -10.632
   88    HB2  ASN  13           2HB      ASN  13   6.749   3.896 -11.638
   89    HB3  ASN  13           3HB      ASN  13   5.692   2.514 -11.909
   90   HD21  ASN  13          1HD2      ASN  13   5.699   6.041 -12.283
   91   HD22  ASN  13          2HD2      ASN  13   4.898   6.050 -13.815
   92    H    GLN  14           H        GLN  14   4.887   4.507  -8.017
   93    HA   GLN  14           HA       GLN  14   6.712   2.455  -7.139
   94    HB2  GLN  14           2HB      GLN  14   6.355   4.881  -6.201
   95    HB3  GLN  14           3HB      GLN  14   5.085   4.116  -5.255
   96    HG2  GLN  14           2HG      GLN  14   6.817   3.929  -3.800
   97    HG3  GLN  14           3HG      GLN  14   7.004   2.412  -4.679
   98   HE21  GLN  14          1HE2      GLN  14   8.585   2.343  -6.390
   99   HE22  GLN  14          2HE2      GLN  14   9.986   3.349  -6.299
  100    H    CYS  15           H        CYS  15   5.207   0.759  -8.048
  101    HA   CYS  15           HA       CYS  15   3.103   0.068  -6.108
  102    HB2  CYS  15           2HB      CYS  15   2.531   0.375  -8.591
  103    HB3  CYS  15           3HB      CYS  15   3.400  -1.133  -8.855
  104    H    CYS  16           H        CYS  16   4.012  -1.189  -4.592
  105    HA   CYS  16           HA       CYS  16   6.223  -2.794  -4.751
  106    HB2  CYS  16           2HB      CYS  16   3.750  -2.916  -3.066
  107    HB3  CYS  16           3HB      CYS  16   4.935  -4.212  -2.951
  108    H    ASP  17           H        ASP  17   2.944  -4.188  -4.756
  109    HA   ASP  17           HA       ASP  17   3.923  -6.227  -6.646
  110    HB2  ASP  17           2HB      ASP  17   1.561  -6.968  -5.084
  111    HB3  ASP  17           3HB      ASP  17   3.042  -7.873  -5.386
  112    HA   PRO  18           HA       PRO  18   2.496  -8.186  -7.256
  113    HB2  PRO  18           2HB      PRO  18   2.382  -8.913  -9.869
  114    HB3  PRO  18           3HB      PRO  18   1.001  -9.047  -8.773
  115    HG2  PRO  18           2HG      PRO  18   1.622  -6.921 -10.788
  116    HG3  PRO  18           3HG      PRO  18   0.073  -7.709 -10.434
  117    HD2  PRO  18           2HD      PRO  18   0.708  -5.252  -9.489
  118    HD3  PRO  18           3HD      PRO  18  -0.322  -6.384  -8.590
  119    H    TRP  19           H        TRP  19   3.242  -6.122 -10.070
  120    HA   TRP  19           HA       TRP  19   6.099  -6.567  -9.523
  121    HB2  TRP  19           2HB      TRP  19   4.598  -6.854 -12.090
  122    HB3  TRP  19           3HB      TRP  19   6.251  -6.249 -12.146
  123    HD1  TRP  19           HD1      TRP  19   4.421  -9.389 -12.317
  124    HE1  TRP  19           HE1      TRP  19   5.962 -11.400 -11.862
  125    HE3  TRP  19           HE3      TRP  19   8.432  -6.909 -10.342
  126    HZ2  TRP  19           HZ2      TRP  19   8.536 -11.873 -10.804
  127    HZ3  TRP  19           HZ3      TRP  19  10.393  -8.214  -9.632
  128    HH2  TRP  19           HH2      TRP  19  10.442 -10.645  -9.859
  129    H    LEU  20           H        LEU  20   4.865  -4.704 -12.202
  130    HA   LEU  20           HA       LEU  20   5.602  -2.226 -10.789
  131    HB2  LEU  20           2HB      LEU  20   6.759  -1.413 -12.611
  132    HB3  LEU  20           3HB      LEU  20   7.200  -3.120 -12.605
  133    HG   LEU  20           HG       LEU  20   5.109  -1.884 -14.396
  134   HD11  LEU  20          1HD1      LEU  20   6.678  -1.427 -15.910
  135   HD12  LEU  20          2HD1      LEU  20   7.512  -2.956 -15.634
  136   HD13  LEU  20          3HD1      LEU  20   7.835  -1.574 -14.587
  137   HD21  LEU  20          3HD2      LEU  20   4.514  -4.112 -14.217
  138   HD22  LEU  20          1HD2      LEU  20   6.183  -4.652 -14.034
  139   HD23  LEU  20          2HD2      LEU  20   5.595  -4.125 -15.611
  140    H    CYS  21           H        CYS  21   4.604  -0.262 -11.706
  141    HA   CYS  21           HA       CYS  21   1.821  -0.801 -12.395
  142    HB2  CYS  21           2HB      CYS  21   2.526   0.775 -10.518
  143    HB3  CYS  21           3HB      CYS  21   3.045   1.887 -11.781
  144    H    THR  22           H        THR  22   1.531  -1.087 -14.522
  145    HA   THR  22           HA       THR  22   2.379   1.076 -16.309
  146    HB   THR  22           HB       THR  22   3.016  -1.835 -16.637
  147    HG1  THR  22           HG1      THR  22   4.523  -0.058 -15.940
  148   HG21  THR  22          3HG2      THR  22   2.571   0.163 -18.852
  149   HG22  THR  22          1HG2      THR  22   1.785  -1.400 -18.637
  150   HG23  THR  22          2HG2      THR  22   3.497  -1.324 -19.053
  151    HA   PRO  23           HA       PRO  23   2.028   1.910 -18.173
  152    HB2  PRO  23           2HB      PRO  23   0.336   3.974 -18.669
  153    HB3  PRO  23           3HB      PRO  23   0.639   2.679 -19.833
  154    HG2  PRO  23           2HG      PRO  23  -1.652   3.024 -17.937
  155    HG3  PRO  23           3HG      PRO  23  -1.672   2.514 -19.635
  156    HD2  PRO  23           2HD      PRO  23  -1.860   0.757 -17.584
  157    HD3  PRO  23           3HD      PRO  23  -1.075   0.348 -19.122
  158    HA   PRO  24           HA       PRO  24   2.547   4.344 -14.548
  159    HB2  PRO  24           2HB      PRO  24   3.384   6.742 -15.506
  160    HB3  PRO  24           3HB      PRO  24   4.395   5.292 -15.531
  161    HG2  PRO  24           2HG      PRO  24   2.765   6.503 -17.731
  162    HG3  PRO  24           3HG      PRO  24   4.405   5.832 -17.793
  163    HD2  PRO  24           2HD      PRO  24   2.234   4.450 -18.633
  164    HD3  PRO  24           3HD      PRO  24   3.648   3.659 -17.908
  165    H    ILE  25           H        ILE  25   1.673   7.094 -16.540
  166    HA   ILE  25           HA       ILE  25  -0.092   8.177 -14.653
  167    HB   ILE  25           HB       ILE  25  -0.223   8.781 -17.599
  168   HG12  ILE  25          2HG1      ILE  25   1.808   9.697 -15.559
  169   HG13  ILE  25          3HG1      ILE  25   2.117   8.838 -17.063
  170   HG21  ILE  25          1HG2      ILE  25  -1.634   9.775 -15.463
  171   HG22  ILE  25          2HG2      ILE  25  -0.350  10.964 -15.675
  172   HG23  ILE  25          3HG2      ILE  25  -1.422  10.574 -17.020
  173   HD11  ILE  25          3HD1      ILE  25   0.927  10.996 -18.064
  174   HD12  ILE  25          1HD1      ILE  25   1.581  11.701 -16.586
  175   HD13  ILE  25          2HD1      ILE  25   2.659  10.920 -17.743
  176    H    ILE  26           H        ILE  26  -1.883   7.160 -14.007
  177    HA   ILE  26           HA       ILE  26  -3.988   6.289 -14.055
  178    HB   ILE  26           HB       ILE  26  -4.059   6.908 -17.005
  179   HG12  ILE  26          2HG1      ILE  26  -3.382   8.933 -15.857
  180   HG13  ILE  26          3HG1      ILE  26  -5.067   9.082 -16.341
  181   HG21  ILE  26          1HG2      ILE  26  -6.541   7.375 -16.000
  182   HG22  ILE  26          2HG2      ILE  26  -6.027   5.863 -16.746
  183   HG23  ILE  26          3HG2      ILE  26  -6.001   6.034 -14.991
  184   HD11  ILE  26          3HD1      ILE  26  -4.031   8.465 -13.586
  185   HD12  ILE  26          1HD1      ILE  26  -4.783   9.965 -14.130
  186   HD13  ILE  26          2HD1      ILE  26  -5.734   8.482 -14.042
  187    H    GLY  27           H        GLY  27  -3.054   4.216 -13.645
  188    HA2  GLY  27           2HA      GLY  27  -3.825   2.251 -15.571
  189    HA3  GLY  27           3HA      GLY  27  -2.077   2.403 -15.474
  190    H    PHE  28           H        PHE  28  -2.712   0.022 -14.871
  191    HA   PHE  28           HA       PHE  28  -2.730  -0.096 -11.932
  192    HB2  PHE  28           2HB      PHE  28  -3.960  -2.298 -13.553
  193    HB3  PHE  28           3HB      PHE  28  -4.245  -1.864 -11.871
  194    HD1  PHE  28           HD2      PHE  28  -4.991  -1.001 -15.364
  195    HD2  PHE  28           HD1      PHE  28  -5.869  -0.227 -11.272
  196    HE1  PHE  28           HE2      PHE  28  -6.987   0.270 -16.036
  197    HE2  PHE  28           HE1      PHE  28  -7.868   1.044 -11.938
  198    HZ   PHE  28           HZ       PHE  28  -8.429   1.295 -14.323
  199    H    CYS  29           H        CYS  29  -1.252  -1.425 -11.012
  200    HA   CYS  29           HA       CYS  29   0.853  -2.435 -12.688
  201    HB2  CYS  29           2HB      CYS  29   1.870  -3.141 -10.508
  202    HB3  CYS  29           3HB      CYS  29   1.480  -1.427 -10.601
  203    H    LEU  30           H        LEU  30   1.141  -4.450 -13.400
  204    HA   LEU  30           HA       LEU  30  -0.274  -6.655 -12.091
  205    HB2  LEU  30           2HB      LEU  30  -0.835  -7.556 -14.373
  206    HB3  LEU  30           3HB      LEU  30  -1.760  -6.152 -13.845
  207    HG   LEU  30           HG       LEU  30   0.040  -4.836 -15.231
  208   HD11  LEU  30          1HD1      LEU  30   1.406  -6.003 -16.532
  209   HD12  LEU  30          2HD1      LEU  30   0.064  -6.936 -17.194
  210   HD13  LEU  30          3HD1      LEU  30   0.858  -7.465 -15.711
  211   HD21  LEU  30          3HD2      LEU  30  -1.836  -6.262 -17.008
  212   HD22  LEU  30          1HD2      LEU  30  -1.588  -4.533 -16.767
  213   HD23  LEU  30          2HD2      LEU  30  -2.545  -5.455 -15.608
  Start of MODEL   17
    1    H1   CYS   1           H        CYS   1   2.108   0.082   0.625
    2    HA   CYS   1           HA       CYS   1   2.213   1.720  -1.482
    3    HB2  CYS   1           2HB      CYS   1   3.821   0.036  -2.562
    4    HB3  CYS   1           3HB      CYS   1   4.206   0.594  -0.937
    5    H    ILE   2           H        ILE   2  -0.174   1.495  -2.076
    6    HA   ILE   2           HA       ILE   2  -1.714   1.081  -3.700
    7    HB   ILE   2           HB       ILE   2   0.660  -0.081  -5.160
    8   HG12  ILE   2          2HG1      ILE   2   0.739   2.359  -4.607
    9   HG13  ILE   2          3HG1      ILE   2   0.733   2.022  -6.334
   10   HG21  ILE   2          1HG2      ILE   2  -0.862   0.358  -7.181
   11   HG22  ILE   2          2HG2      ILE   2  -1.173  -1.075  -6.202
   12   HG23  ILE   2          3HG2      ILE   2  -2.181   0.359  -6.010
   13   HD11  ILE   2          3HD1      ILE   2  -1.642   2.880  -4.699
   14   HD12  ILE   2          1HD1      ILE   2  -0.703   3.903  -5.786
   15   HD13  ILE   2          2HD1      ILE   2  -1.641   2.556  -6.432
   16    H    ALA   3           H        ALA   3  -3.270  -0.415  -3.777
   17    HA   ALA   3           HA       ALA   3  -2.885  -2.962  -2.571
   18    HB1  ALA   3           1HB      ALA   3  -5.041  -1.349  -2.986
   19    HB2  ALA   3           2HB      ALA   3  -5.320  -2.632  -4.164
   20    HB3  ALA   3           3HB      ALA   3  -5.122  -3.029  -2.457
   21    H    HIS   4           H        HIS   4  -3.423  -5.033  -3.582
   22    HA   HIS   4           HA       HIS   4  -1.844  -5.640  -5.763
   23    HB2  HIS   4           2HB      HIS   4  -4.254  -7.059  -4.632
   24    HB3  HIS   4           3HB      HIS   4  -3.278  -7.737  -5.931
   25    HD1  HIS   4           HD1      HIS   4  -1.787  -5.915  -2.995
   26    HD2  HIS   4           HD2      HIS   4  -2.200  -9.792  -4.430
   27    HE1  HIS   4           HE1      HIS   4  -0.305  -7.332  -1.539
   28    H    TYR   5           H        TYR   5  -1.994  -5.140  -7.839
   29    HA   TYR   5           HA       TYR   5  -2.822  -4.445  -9.843
   30    HB2  TYR   5           2HB      TYR   5  -5.398  -5.861  -9.327
   31    HB3  TYR   5           3HB      TYR   5  -4.409  -5.830 -10.782
   32    HD1  TYR   5           HD1      TYR   5  -2.013  -6.967 -10.469
   33    HD2  TYR   5           HD2      TYR   5  -5.453  -7.821  -8.113
   34    HE1  TYR   5           HE1      TYR   5  -1.053  -9.151  -9.868
   35    HE2  TYR   5           HE2      TYR   5  -4.501 -10.006  -7.505
   36    HH   TYR   5           HH       TYR   5  -1.227 -10.870  -8.299
   37    H    GLY   6           H        GLY   6  -3.314  -2.737  -7.577
   38    HA2  GLY   6           2HA      GLY   6  -5.964  -1.612  -8.160
   39    HA3  GLY   6           3HA      GLY   6  -4.973  -1.230  -6.760
   40    H    LYS   7           H        LYS   7  -6.255   0.601  -8.608
   41    HA   LYS   7           HA       LYS   7  -4.595   1.703 -10.524
   42    HB2  LYS   7           2HB      LYS   7  -6.944   2.506  -9.067
   43    HB3  LYS   7           3HB      LYS   7  -5.849   3.873  -9.231
   44    HG2  LYS   7           2HG      LYS   7  -6.000   2.524 -11.733
   45    HG3  LYS   7           3HG      LYS   7  -7.637   2.818 -11.141
   46    HD2  LYS   7           2HD      LYS   7  -6.855   4.688 -12.495
   47    HD3  LYS   7           3HD      LYS   7  -7.090   5.184 -10.817
   48    HE2  LYS   7           2HE      LYS   7  -4.670   4.914 -10.429
   49    HE3  LYS   7           3HE      LYS   7  -4.462   4.491 -12.128
   50    HZ1  LYS   7           3HZ      LYS   7  -3.937   6.796 -11.798
   51    HZ2  LYS   7           1HZ      LYS   7  -5.435   7.088 -11.066
   52    HZ3  LYS   7           2HZ      LYS   7  -5.360   6.689 -12.707
   53    H    CYS   8           H        CYS   8  -3.156   3.494 -10.506
   54    HA   CYS   8           HA       CYS   8  -1.804   3.889  -7.916
   55    HB2  CYS   8           2HB      CYS   8  -0.487   4.173 -10.613
   56    HB3  CYS   8           3HB      CYS   8   0.284   4.034  -9.036
   57    H    ASP   9           H        ASP   9  -0.617   5.977  -7.742
   58    HA   ASP   9           HA       ASP   9  -2.343   8.147  -8.118
   59    HB2  ASP   9           2HB      ASP   9   0.401   7.746  -7.138
   60    HB3  ASP   9           3HB      ASP   9   0.100   9.343  -7.817
   61    H    GLY  10           H        GLY  10  -0.223   6.626 -10.301
   62    HA2  GLY  10           2HA      GLY  10  -0.455   7.164 -12.651
   63    HA3  GLY  10           3HA      GLY  10  -0.599   8.855 -12.195
   64    H    ILE  11           H        ILE  11   1.256  10.040 -11.685
   65    HA   ILE  11           HA       ILE  11   3.560   9.413 -13.137
   66    HB   ILE  11           HB       ILE  11   4.650  11.253 -11.832
   67   HG12  ILE  11          2HG1      ILE  11   2.276  12.294 -10.613
   68   HG13  ILE  11          3HG1      ILE  11   2.552  10.662 -10.013
   69   HG21  ILE  11          1HG2      ILE  11   1.949  11.746 -13.070
   70   HG22  ILE  11          2HG2      ILE  11   3.094  13.025 -12.668
   71   HG23  ILE  11          3HG2      ILE  11   3.524  11.801 -13.862
   72   HD11  ILE  11          3HD1      ILE  11   4.719  11.245  -9.221
   73   HD12  ILE  11          1HD1      ILE  11   4.644  12.819 -10.012
   74   HD13  ILE  11          2HD1      ILE  11   3.582  12.466  -8.648
   75    H    ILE  12           H        ILE  12   2.555   8.406 -10.021
   76    HA   ILE  12           HA       ILE  12   5.269   7.596  -9.268
   77    HB   ILE  12           HB       ILE  12   2.741   7.407  -7.628
   78   HG12  ILE  12          2HG1      ILE  12   4.938   9.484  -7.509
   79   HG13  ILE  12          3HG1      ILE  12   3.341   9.748  -8.201
   80   HG21  ILE  12          1HG2      ILE  12   5.038   7.565  -6.018
   81   HG22  ILE  12          2HG2      ILE  12   3.972   6.180  -6.249
   82   HG23  ILE  12          3HG2      ILE  12   5.391   6.381  -7.276
   83   HD11  ILE  12          3HD1      ILE  12   2.804   8.790  -5.673
   84   HD12  ILE  12          1HD1      ILE  12   4.208   9.831  -5.442
   85   HD13  ILE  12          2HD1      ILE  12   2.747  10.474  -6.193
   86    H    ASN  13           H        ASN  13   5.789   5.744 -10.283
   87    HA   ASN  13           HA       ASN  13   3.822   3.618 -10.563
   88    HB2  ASN  13           2HB      ASN  13   6.689   3.834 -11.509
   89    HB3  ASN  13           3HB      ASN  13   5.627   2.469 -11.843
   90   HD21  ASN  13          1HD2      ASN  13   5.657   6.007 -12.104
   91   HD22  ASN  13          2HD2      ASN  13   4.890   6.068 -13.651
   92    H    GLN  14           H        GLN  14   4.767   4.354  -7.908
   93    HA   GLN  14           HA       GLN  14   6.560   2.261  -7.059
   94    HB2  GLN  14           2HB      GLN  14   5.190   4.564  -5.773
   95    HB3  GLN  14           3HB      GLN  14   5.643   3.218  -4.736
   96    HG2  GLN  14           2HG      GLN  14   7.301   5.109  -4.927
   97    HG3  GLN  14           3HG      GLN  14   7.925   3.483  -5.200
   98   HE21  GLN  14          1HE2      GLN  14   8.601   2.888  -7.238
   99   HE22  GLN  14          2HE2      GLN  14   8.841   4.029  -8.513
  100    H    CYS  15           H        CYS  15   5.065   0.597  -8.025
  101    HA   CYS  15           HA       CYS  15   2.915  -0.116  -6.144
  102    HB2  CYS  15           2HB      CYS  15   2.345   0.245  -8.595
  103    HB3  CYS  15           3HB      CYS  15   3.281  -1.207  -8.935
  104    H    CYS  16           H        CYS  16   3.770  -1.418  -4.637
  105    HA   CYS  16           HA       CYS  16   5.974  -3.022  -4.748
  106    HB2  CYS  16           2HB      CYS  16   3.397  -3.328  -3.224
  107    HB3  CYS  16           3HB      CYS  16   4.713  -4.481  -3.030
  108    H    ASP  17           H        ASP  17   2.747  -4.512  -4.864
  109    HA   ASP  17           HA       ASP  17   3.813  -6.437  -6.825
  110    HB2  ASP  17           2HB      ASP  17   2.895  -8.147  -5.675
  111    HB3  ASP  17           3HB      ASP  17   2.851  -7.009  -4.331
  112    HA   PRO  18           HA       PRO  18   2.443  -8.395  -7.555
  113    HB2  PRO  18           2HB      PRO  18   2.431  -9.026 -10.195
  114    HB3  PRO  18           3HB      PRO  18   1.016  -9.223  -9.154
  115    HG2  PRO  18           2HG      PRO  18   1.667  -7.014 -11.067
  116    HG3  PRO  18           3HG      PRO  18   0.122  -7.840 -10.795
  117    HD2  PRO  18           2HD      PRO  18   0.679  -5.410  -9.740
  118    HD3  PRO  18           3HD      PRO  18  -0.360  -6.592  -8.919
  119    H    TRP  19           H        TRP  19   3.247  -6.217 -10.266
  120    HA   TRP  19           HA       TRP  19   6.092  -6.628  -9.633
  121    HB2  TRP  19           2HB      TRP  19   4.753  -6.668 -12.334
  122    HB3  TRP  19           3HB      TRP  19   6.478  -6.362 -12.151
  123    HD1  TRP  19           HD1      TRP  19   4.159  -9.119 -12.725
  124    HE1  TRP  19           HE1      TRP  19   5.274 -11.390 -12.253
  125    HE3  TRP  19           HE3      TRP  19   8.296  -7.484 -10.206
  126    HZ2  TRP  19           HZ2      TRP  19   7.599 -12.360 -10.979
  127    HZ3  TRP  19           HZ3      TRP  19   9.916  -9.148  -9.393
  128    HH2  TRP  19           HH2      TRP  19   9.573 -11.535  -9.772
  129    H    LEU  20           H        LEU  20   4.915  -4.706 -12.296
  130    HA   LEU  20           HA       LEU  20   5.561  -2.261 -10.785
  131    HB2  LEU  20           2HB      LEU  20   6.288  -1.344 -13.044
  132    HB3  LEU  20           3HB      LEU  20   7.360  -2.496 -12.250
  133    HG   LEU  20           HG       LEU  20   5.417  -3.513 -14.268
  134   HD11  LEU  20          1HD1      LEU  20   6.556  -2.785 -16.105
  135   HD12  LEU  20          2HD1      LEU  20   8.066  -2.564 -15.223
  136   HD13  LEU  20          3HD1      LEU  20   6.765  -1.386 -15.052
  137   HD21  LEU  20          3HD2      LEU  20   7.510  -4.571 -12.751
  138   HD22  LEU  20          1HD2      LEU  20   8.130  -4.467 -14.399
  139   HD23  LEU  20          2HD2      LEU  20   6.642  -5.356 -14.071
  140    H    CYS  21           H        CYS  21   4.557  -0.285 -11.678
  141    HA   CYS  21           HA       CYS  21   1.799  -0.850 -12.449
  142    HB2  CYS  21           2HB      CYS  21   2.478   0.698 -10.513
  143    HB3  CYS  21           3HB      CYS  21   2.927   1.857 -11.760
  144    H    THR  22           H        THR  22   1.566  -1.079 -14.589
  145    HA   THR  22           HA       THR  22   2.427   1.148 -16.292
  146    HB   THR  22           HB       THR  22   3.112  -1.743 -16.680
  147    HG1  THR  22           HG1      THR  22   4.855  -0.606 -16.066
  148   HG21  THR  22          3HG2      THR  22   1.909  -1.295 -18.690
  149   HG22  THR  22          1HG2      THR  22   3.624  -1.169 -19.079
  150   HG23  THR  22          2HG2      THR  22   2.659   0.291 -18.860
  151    HA   PRO  23           HA       PRO  23   2.118   2.019 -18.152
  152    HB2  PRO  23           2HB      PRO  23   0.423   4.082 -18.643
  153    HB3  PRO  23           3HB      PRO  23   0.762   2.815 -19.828
  154    HG2  PRO  23           2HG      PRO  23  -1.575   3.103 -17.979
  155    HG3  PRO  23           3HG      PRO  23  -1.552   2.630 -19.688
  156    HD2  PRO  23           2HD      PRO  23  -1.775   0.827 -17.681
  157    HD3  PRO  23           3HD      PRO  23  -0.951   0.457 -19.209
  158    HA   PRO  24           HA       PRO  24   2.534   4.376 -14.464
  159    HB2  PRO  24           2HB      PRO  24   3.376   6.800 -15.349
  160    HB3  PRO  24           3HB      PRO  24   4.397   5.358 -15.382
  161    HG2  PRO  24           2HG      PRO  24   2.810   6.606 -17.593
  162    HG3  PRO  24           3HG      PRO  24   4.457   5.948 -17.630
  163    HD2  PRO  24           2HD      PRO  24   2.315   4.570 -18.552
  164    HD3  PRO  24           3HD      PRO  24   3.718   3.772 -17.811
  165    H    ILE  25           H        ILE  25   1.709   7.184 -16.383
  166    HA   ILE  25           HA       ILE  25  -0.114   8.204 -14.525
  167    HB   ILE  25           HB       ILE  25  -0.195   8.881 -17.456
  168   HG12  ILE  25          2HG1      ILE  25   1.825   9.713 -15.372
  169   HG13  ILE  25          3HG1      ILE  25   2.135   8.929 -16.917
  170   HG21  ILE  25          1HG2      ILE  25  -1.369  10.686 -16.848
  171   HG22  ILE  25          2HG2      ILE  25  -1.647   9.818 -15.339
  172   HG23  ILE  25          3HG2      ILE  25  -0.342  10.999 -15.449
  173   HD11  ILE  25          3HD1      ILE  25   1.674  11.761 -16.286
  174   HD12  ILE  25          1HD1      ILE  25   2.659  11.018 -17.546
  175   HD13  ILE  25          2HD1      ILE  25   0.915  11.167 -17.763
  176    H    ILE  26           H        ILE  26  -1.897   7.127 -13.942
  177    HA   ILE  26           HA       ILE  26  -3.999   6.256 -14.060
  178    HB   ILE  26           HB       ILE  26  -4.026   6.929 -16.996
  179   HG12  ILE  26          2HG1      ILE  26  -3.344   8.937 -15.823
  180   HG13  ILE  26          3HG1      ILE  26  -5.026   9.104 -16.314
  181   HG21  ILE  26          1HG2      ILE  26  -5.949   5.754 -16.637
  182   HG22  ILE  26          2HG2      ILE  26  -6.053   6.226 -14.942
  183   HG23  ILE  26          3HG2      ILE  26  -6.509   7.370 -16.205
  184   HD11  ILE  26          3HD1      ILE  26  -4.977   9.938 -14.150
  185   HD12  ILE  26          1HD1      ILE  26  -5.589   8.296 -13.952
  186   HD13  ILE  26          2HD1      ILE  26  -3.904   8.661 -13.579
  187    H    GLY  27           H        GLY  27  -3.111   4.172 -13.677
  188    HA2  GLY  27           2HA      GLY  27  -3.809   2.256 -15.668
  189    HA3  GLY  27           3HA      GLY  27  -2.064   2.415 -15.535
  190    H    PHE  28           H        PHE  28  -2.703   0.015 -15.004
  191    HA   PHE  28           HA       PHE  28  -2.765  -0.177 -12.070
  192    HB2  PHE  28           2HB      PHE  28  -3.982  -2.309 -13.802
  193    HB3  PHE  28           3HB      PHE  28  -4.247  -1.991 -12.091
  194    HD1  PHE  28           HD1      PHE  28  -5.021  -0.867 -15.507
  195    HD2  PHE  28           HD2      PHE  28  -5.888  -0.435 -11.362
  196    HE1  PHE  28           HE1      PHE  28  -7.030   0.438 -16.067
  197    HE2  PHE  28           HE2      PHE  28  -7.899   0.870 -11.916
  198    HZ   PHE  28           HZ       PHE  28  -8.473   1.307 -14.271
  199    H    CYS  29           H        CYS  29  -1.302  -1.530 -11.160
  200    HA   CYS  29           HA       CYS  29   0.837  -2.485 -12.825
  201    HB2  CYS  29           2HB      CYS  29   1.814  -3.254 -10.647
  202    HB3  CYS  29           3HB      CYS  29   1.421  -1.539 -10.696
  203    H    LEU  30           H        LEU  30   1.134  -4.474 -13.601
  204    HA   LEU  30           HA       LEU  30  -0.290  -6.724 -12.381
  205    HB2  LEU  30           2HB      LEU  30  -0.685  -7.518 -14.810
  206    HB3  LEU  30           3HB      LEU  30  -1.781  -6.338 -14.093
  207    HG   LEU  30           HG       LEU  30  -0.547  -4.545 -15.294
  208   HD11  LEU  30          1HD1      LEU  30   0.738  -5.693 -17.349
  209   HD12  LEU  30          2HD1      LEU  30   1.102  -6.861 -16.079
  210   HD13  LEU  30          3HD1      LEU  30   1.544  -5.167 -15.870
  211   HD21  LEU  30          3HD2      LEU  30  -1.600  -4.919 -17.387
  212   HD22  LEU  30          1HD2      LEU  30  -2.616  -5.682 -16.164
  213   HD23  LEU  30          2HD2      LEU  30  -1.559  -6.670 -17.172
  Start of MODEL   18
    1    H1   CYS   1           H        CYS   1   1.391   0.883   0.921
    2    HA   CYS   1           HA       CYS   1   2.143   1.556  -1.136
    3    HB2  CYS   1           2HB      CYS   1   3.742  -0.149  -2.158
    4    HB3  CYS   1           3HB      CYS   1   4.079   0.354  -0.505
    5    H    ILE   2           H        ILE   2  -0.295   1.302  -1.701
    6    HA   ILE   2           HA       ILE   2  -1.825   0.902  -3.338
    7    HB   ILE   2           HB       ILE   2   0.576  -0.161  -4.830
    8   HG12  ILE   2          2HG1      ILE   2   0.587   2.266  -4.194
    9   HG13  ILE   2          3HG1      ILE   2   0.617   1.977  -5.930
   10   HG21  ILE   2          1HG2      ILE   2  -2.274   0.238  -5.666
   11   HG22  ILE   2          2HG2      ILE   2  -0.959   0.313  -6.836
   12   HG23  ILE   2          3HG2      ILE   2  -1.230  -1.163  -5.909
   13   HD11  ILE   2          3HD1      ILE   2  -0.875   3.815  -5.284
   14   HD12  ILE   2          1HD1      ILE   2  -1.727   2.502  -6.097
   15   HD13  ILE   2          2HD1      ILE   2  -1.841   2.677  -4.345
   16    H    ALA   3           H        ALA   3  -3.346  -0.624  -3.458
   17    HA   ALA   3           HA       ALA   3  -2.880  -3.210  -2.350
   18    HB1  ALA   3           1HB      ALA   3  -5.005  -2.400  -1.908
   19    HB2  ALA   3           2HB      ALA   3  -5.250  -1.845  -3.565
   20    HB3  ALA   3           3HB      ALA   3  -5.299  -3.569  -3.196
   21    H    HIS   4           H        HIS   4  -3.418  -5.246  -3.438
   22    HA   HIS   4           HA       HIS   4  -1.883  -5.746  -5.669
   23    HB2  HIS   4           2HB      HIS   4  -4.175  -7.196  -4.400
   24    HB3  HIS   4           3HB      HIS   4  -3.520  -7.784  -5.926
   25    HD1  HIS   4           HD1      HIS   4  -1.447  -6.366  -3.105
   26    HD2  HIS   4           HD2      HIS   4  -2.223 -10.001  -4.959
   27    HE1  HIS   4           HE1      HIS   4   0.217  -7.984  -2.135
   28    H    TYR   5           H        TYR   5  -2.059  -5.153  -7.718
   29    HA   TYR   5           HA       TYR   5  -2.909  -4.391  -9.686
   30    HB2  TYR   5           2HB      TYR   5  -5.490  -5.799  -9.112
   31    HB3  TYR   5           3HB      TYR   5  -4.610  -5.663 -10.630
   32    HD1  TYR   5           HD1      TYR   5  -2.134  -6.765 -10.459
   33    HD2  TYR   5           HD2      TYR   5  -5.529  -7.889  -8.154
   34    HE1  TYR   5           HE1      TYR   5  -1.138  -8.982 -10.085
   35    HE2  TYR   5           HE2      TYR   5  -4.543 -10.109  -7.773
   36    HH   TYR   5           HH       TYR   5  -1.769 -10.929  -7.852
   37    H    GLY   6           H        GLY   6  -3.292  -2.731  -7.380
   38    HA2  GLY   6           2HA      GLY   6  -5.939  -1.541  -7.819
   39    HA3  GLY   6           3HA      GLY   6  -4.862  -1.190  -6.475
   40    H    LYS   7           H        LYS   7  -6.222   0.660  -8.275
   41    HA   LYS   7           HA       LYS   7  -4.520   1.740 -10.211
   42    HB2  LYS   7           2HB      LYS   7  -6.976   2.486  -8.893
   43    HB3  LYS   7           3HB      LYS   7  -5.935   3.892  -9.078
   44    HG2  LYS   7           2HG      LYS   7  -5.946   2.390 -11.511
   45    HG3  LYS   7           3HG      LYS   7  -7.605   2.710 -11.000
   46    HD2  LYS   7           2HD      LYS   7  -6.774   4.500 -12.433
   47    HD3  LYS   7           3HD      LYS   7  -7.080   5.094 -10.799
   48    HE2  LYS   7           2HE      LYS   7  -4.682   4.875 -10.296
   49    HE3  LYS   7           3HE      LYS   7  -4.396   4.331 -11.948
   50    HZ1  LYS   7           3HZ      LYS   7  -5.396   6.996 -11.106
   51    HZ2  LYS   7           1HZ      LYS   7  -5.298   6.481 -12.715
   52    HZ3  LYS   7           2HZ      LYS   7  -3.890   6.647 -11.792
   53    H    CYS   8           H        CYS   8  -3.084   3.494 -10.179
   54    HA   CYS   8           HA       CYS   8  -2.016   4.164  -7.514
   55    HB2  CYS   8           2HB      CYS   8   0.186   4.498  -8.821
   56    HB3  CYS   8           3HB      CYS   8  -0.333   2.851  -8.479
   57    H    ASP   9           H        ASP   9  -0.613   6.221  -7.645
   58    HA   ASP   9           HA       ASP   9  -2.249   8.386  -8.280
   59    HB2  ASP   9           2HB      ASP   9   0.701   8.165  -7.720
   60    HB3  ASP   9           3HB      ASP   9  -0.053   9.717  -8.075
   61    H    GLY  10           H        GLY  10  -0.216   6.506 -10.289
   62    HA2  GLY  10           2HA      GLY  10  -0.617   6.726 -12.695
   63    HA3  GLY  10           3HA      GLY  10  -0.591   8.468 -12.466
   64    H    ILE  11           H        ILE  11   1.376   9.540 -12.251
   65    HA   ILE  11           HA       ILE  11   3.534   8.492 -13.689
   66    HB   ILE  11           HB       ILE  11   4.836  10.416 -12.788
   67   HG12  ILE  11          2HG1      ILE  11   2.606  11.775 -11.557
   68   HG13  ILE  11          3HG1      ILE  11   2.946  10.270 -10.710
   69   HG21  ILE  11          1HG2      ILE  11   2.095  10.867 -13.932
   70   HG22  ILE  11          2HG2      ILE  11   3.255  12.177 -13.715
   71   HG23  ILE  11          3HG2      ILE  11   3.644  10.822 -14.775
   72   HD11  ILE  11          3HD1      ILE  11   4.132  12.206  -9.769
   73   HD12  ILE  11          1HD1      ILE  11   5.225  10.946 -10.340
   74   HD13  ILE  11          2HD1      ILE  11   4.981  12.405 -11.302
   75    H    ILE  12           H        ILE  12   2.623   8.050 -10.425
   76    HA   ILE  12           HA       ILE  12   5.297   7.297  -9.555
   77    HB   ILE  12           HB       ILE  12   2.691   7.155  -8.035
   78   HG12  ILE  12          2HG1      ILE  12   4.870   9.246  -7.865
   79   HG13  ILE  12          3HG1      ILE  12   3.364   9.461  -8.751
   80   HG21  ILE  12          1HG2      ILE  12   3.945   5.851  -6.703
   81   HG22  ILE  12          2HG2      ILE  12   5.459   6.403  -7.418
   82   HG23  ILE  12          3HG2      ILE  12   4.661   7.377  -6.183
   83   HD11  ILE  12          3HD1      ILE  12   2.355   8.787  -6.382
   84   HD12  ILE  12          1HD1      ILE  12   3.881   9.490  -5.846
   85   HD13  ILE  12          2HD1      ILE  12   2.761  10.448  -6.815
   86    H    ASN  13           H        ASN  13   5.944   5.397 -10.385
   87    HA   ASN  13           HA       ASN  13   4.089   3.184 -10.664
   88    HB2  ASN  13           2HB      ASN  13   6.964   3.628 -11.432
   89    HB3  ASN  13           3HB      ASN  13   6.252   2.018 -11.483
   90   HD21  ASN  13          1HD2      ASN  13   4.658   5.067 -12.204
   91   HD22  ASN  13          2HD2      ASN  13   4.360   4.727 -13.872
   92    H    GLN  14           H        GLN  14   4.726   4.161  -7.988
   93    HA   GLN  14           HA       GLN  14   6.454   2.190  -6.785
   94    HB2  GLN  14           2HB      GLN  14   5.946   4.659  -6.034
   95    HB3  GLN  14           3HB      GLN  14   4.594   3.910  -5.196
   96    HG2  GLN  14           2HG      GLN  14   6.131   3.810  -3.541
   97    HG3  GLN  14           3HG      GLN  14   6.502   2.286  -4.345
   98   HE21  GLN  14          1HE2      GLN  14   8.227   2.370  -5.990
   99   HE22  GLN  14          2HE2      GLN  14   9.576   3.410  -5.702
  100    H    CYS  15           H        CYS  15   5.025   0.466  -7.837
  101    HA   CYS  15           HA       CYS  15   2.777  -0.200  -6.054
  102    HB2  CYS  15           2HB      CYS  15   2.425   0.105  -8.604
  103    HB3  CYS  15           3HB      CYS  15   3.223  -1.457  -8.749
  104    H    CYS  16           H        CYS  16   3.560  -1.473  -4.486
  105    HA   CYS  16           HA       CYS  16   5.766  -3.055  -4.420
  106    HB2  CYS  16           2HB      CYS  16   3.110  -3.241  -3.069
  107    HB3  CYS  16           3HB      CYS  16   4.237  -4.582  -2.884
  108    H    ASP  17           H        ASP  17   2.522  -4.383  -5.093
  109    HA   ASP  17           HA       ASP  17   3.785  -6.304  -6.929
  110    HB2  ASP  17           2HB      ASP  17   2.117  -6.831  -4.547
  111    HB3  ASP  17           3HB      ASP  17   1.693  -7.752  -5.988
  112    HA   PRO  18           HA       PRO  18   2.525  -8.318  -7.739
  113    HB2  PRO  18           2HB      PRO  18   2.588  -8.870 -10.397
  114    HB3  PRO  18           3HB      PRO  18   1.168  -9.169  -9.387
  115    HG2  PRO  18           2HG      PRO  18   1.738  -6.874 -11.223
  116    HG3  PRO  18           3HG      PRO  18   0.232  -7.784 -11.004
  117    HD2  PRO  18           2HD      PRO  18   0.648  -5.361  -9.869
  118    HD3  PRO  18           3HD      PRO  18  -0.343  -6.618  -9.101
  119    H    TRP  19           H        TRP  19   3.261  -5.994 -10.345
  120    HA   TRP  19           HA       TRP  19   6.116  -6.326  -9.706
  121    HB2  TRP  19           2HB      TRP  19   4.790  -6.241 -12.411
  122    HB3  TRP  19           3HB      TRP  19   6.499  -5.867 -12.200
  123    HD1  TRP  19           HD1      TRP  19   4.367  -8.671 -13.054
  124    HE1  TRP  19           HE1      TRP  19   5.567 -10.919 -12.694
  125    HE3  TRP  19           HE3      TRP  19   8.290  -7.050 -10.204
  126    HZ2  TRP  19           HZ2      TRP  19   7.872 -11.879 -11.375
  127    HZ3  TRP  19           HZ3      TRP  19   9.948  -8.697  -9.434
  128    HH2  TRP  19           HH2      TRP  19   9.741 -11.061 -10.008
  129    H    LEU  20           H        LEU  20   4.895  -4.273 -12.246
  130    HA   LEU  20           HA       LEU  20   5.355  -1.910 -10.552
  131    HB2  LEU  20           2HB      LEU  20   6.237  -0.810 -12.656
  132    HB3  LEU  20           3HB      LEU  20   7.281  -1.999 -11.879
  133    HG   LEU  20           HG       LEU  20   5.533  -2.904 -14.112
  134   HD11  LEU  20          1HD1      LEU  20   8.193  -1.693 -14.728
  135   HD12  LEU  20          2HD1      LEU  20   6.748  -0.683 -14.686
  136   HD13  LEU  20          3HD1      LEU  20   6.841  -2.042 -15.806
  137   HD21  LEU  20          3HD2      LEU  20   7.628  -3.961 -12.551
  138   HD22  LEU  20          1HD2      LEU  20   8.255  -3.766 -14.188
  139   HD23  LEU  20          2HD2      LEU  20   6.795  -4.716 -13.911
  140    H    CYS  21           H        CYS  21   4.333   0.075 -11.400
  141    HA   CYS  21           HA       CYS  21   1.644  -0.517 -12.296
  142    HB2  CYS  21           2HB      CYS  21   2.760   1.395 -10.612
  143    HB3  CYS  21           3HB      CYS  21   2.295   2.309 -12.043
  144    H    THR  22           H        THR  22   1.454  -0.879 -14.424
  145    HA   THR  22           HA       THR  22   2.361   1.237 -16.243
  146    HB   THR  22           HB       THR  22   2.766  -1.721 -16.725
  147    HG1  THR  22           HG1      THR  22   4.311  -0.459 -15.368
  148   HG21  THR  22          3HG2      THR  22   3.434   0.609 -18.526
  149   HG22  THR  22          1HG2      THR  22   2.066  -0.479 -18.755
  150   HG23  THR  22          2HG2      THR  22   3.713  -1.099 -18.863
  151    HA   PRO  23           HA       PRO  23   2.089   2.002 -18.155
  152    HB2  PRO  23           2HB      PRO  23   0.437   4.060 -18.789
  153    HB3  PRO  23           3HB      PRO  23   0.769   2.720 -19.893
  154    HG2  PRO  23           2HG      PRO  23  -1.585   3.157 -18.095
  155    HG3  PRO  23           3HG      PRO  23  -1.550   2.583 -19.773
  156    HD2  PRO  23           2HD      PRO  23  -1.830   0.906 -17.665
  157    HD3  PRO  23           3HD      PRO  23  -0.993   0.432 -19.158
  158    HA   PRO  24           HA       PRO  24   2.501   4.587 -14.622
  159    HB2  PRO  24           2HB      PRO  24   3.340   6.957 -15.646
  160    HB3  PRO  24           3HB      PRO  24   4.363   5.517 -15.595
  161    HG2  PRO  24           2HG      PRO  24   2.775   6.633 -17.875
  162    HG3  PRO  24           3HG      PRO  24   4.423   5.976 -17.874
  163    HD2  PRO  24           2HD      PRO  24   2.283   4.544 -18.714
  164    HD3  PRO  24           3HD      PRO  24   3.687   3.793 -17.929
  165    H    ILE  25           H        ILE  25   1.741   7.345 -16.604
  166    HA   ILE  25           HA       ILE  25  -0.069   8.484 -14.856
  167    HB   ILE  25           HB       ILE  25  -0.226   8.866 -17.840
  168   HG12  ILE  25          2HG1      ILE  25   1.787   9.946 -15.866
  169   HG13  ILE  25          3HG1      ILE  25   2.104   9.035 -17.338
  170   HG21  ILE  25          1HG2      ILE  25  -0.936  11.101 -17.282
  171   HG22  ILE  25          2HG2      ILE  25  -1.948   9.938 -16.427
  172   HG23  ILE  25          3HG2      ILE  25  -0.669  10.794 -15.566
  173   HD11  ILE  25          3HD1      ILE  25   2.581  11.088 -18.125
  174   HD12  ILE  25          1HD1      ILE  25   0.839  11.134 -18.396
  175   HD13  ILE  25          2HD1      ILE  25   1.530  11.900 -16.965
  176    H    ILE  26           H        ILE  26  -1.773   7.366 -14.093
  177    HA   ILE  26           HA       ILE  26  -3.842   6.420 -14.028
  178    HB   ILE  26           HB       ILE  26  -4.068   7.183 -16.940
  179   HG12  ILE  26          2HG1      ILE  26  -3.487   9.112 -15.481
  180   HG13  ILE  26          3HG1      ILE  26  -5.090   9.252 -16.194
  181   HG21  ILE  26          1HG2      ILE  26  -5.967   6.180 -14.886
  182   HG22  ILE  26          2HG2      ILE  26  -6.552   7.354 -16.063
  183   HG23  ILE  26          3HG2      ILE  26  -5.872   5.822 -16.610
  184   HD11  ILE  26          3HD1      ILE  26  -5.072   9.952 -13.865
  185   HD12  ILE  26          1HD1      ILE  26  -6.094   8.535 -14.101
  186   HD13  ILE  26          2HD1      ILE  26  -4.492   8.358 -13.385
  187    H    GLY  27           H        GLY  27  -2.907   4.349 -13.720
  188    HA2  GLY  27           2HA      GLY  27  -3.697   2.441 -15.706
  189    HA3  GLY  27           3HA      GLY  27  -1.949   2.594 -15.599
  190    H    PHE  28           H        PHE  28  -2.811   0.177 -15.085
  191    HA   PHE  28           HA       PHE  28  -2.805  -0.030 -12.145
  192    HB2  PHE  28           2HB      PHE  28  -3.971  -2.108 -13.993
  193    HB3  PHE  28           3HB      PHE  28  -4.185  -1.960 -12.252
  194    HD1  PHE  28           HD2      PHE  28  -5.060  -0.466 -15.509
  195    HD2  PHE  28           HD1      PHE  28  -5.886  -0.607 -11.336
  196    HE1  PHE  28           HE2      PHE  28  -7.121   0.826 -15.877
  197    HE2  PHE  28           HE1      PHE  28  -7.950   0.684 -11.698
  198    HZ   PHE  28           HZ       PHE  28  -8.569   1.403 -13.970
  199    H    CYS  29           H        CYS  29  -1.353  -1.384 -11.207
  200    HA   CYS  29           HA       CYS  29   0.870  -2.244 -12.807
  201    HB2  CYS  29           2HB      CYS  29   1.784  -3.051 -10.626
  202    HB3  CYS  29           3HB      CYS  29   1.320  -1.352 -10.614
  203    H    LEU  30           H        LEU  30   1.243  -4.196 -13.639
  204    HA   LEU  30           HA       LEU  30  -0.154  -6.525 -12.548
  205    HB2  LEU  30           2HB      LEU  30  -0.842  -7.283 -14.732
  206    HB3  LEU  30           3HB      LEU  30  -1.516  -5.688 -14.406
  207    HG   LEU  30           HG       LEU  30   1.005  -5.916 -15.993
  208   HD11  LEU  30          1HD1      LEU  30  -1.734  -6.169 -17.214
  209   HD12  LEU  30          2HD1      LEU  30  -0.667  -7.542 -16.920
  210   HD13  LEU  30          3HD1      LEU  30  -0.170  -6.261 -18.026
  211   HD21  LEU  30          3HD2      LEU  30  -0.065  -3.929 -17.107
  212   HD22  LEU  30          1HD2      LEU  30   0.362  -3.708 -15.410
  213   HD23  LEU  30          2HD2      LEU  30  -1.316  -4.003 -15.866
  Start of MODEL   19
    1    H1   CYS   1           H        CYS   1   1.833  -0.036   1.126
    2    HA   CYS   1           HA       CYS   1   2.007   1.463  -0.980
    3    HB2  CYS   1           2HB      CYS   1   3.671  -0.154  -2.048
    4    HB3  CYS   1           3HB      CYS   1   3.980   0.311  -0.379
    5    H    ILE   2           H        ILE   2  -0.373   1.221  -1.638
    6    HA   ILE   2           HA       ILE   2  -1.863   0.841  -3.315
    7    HB   ILE   2           HB       ILE   2   0.578  -0.210  -4.748
    8   HG12  ILE   2          2HG1      ILE   2   0.560   2.214  -4.116
    9   HG13  ILE   2          3HG1      ILE   2   0.620   1.931  -5.852
   10   HG21  ILE   2          1HG2      ILE   2  -1.208  -1.228  -5.861
   11   HG22  ILE   2          2HG2      ILE   2  -2.248   0.183  -5.673
   12   HG23  ILE   2          3HG2      ILE   2  -0.892   0.232  -6.799
   13   HD11  ILE   2          3HD1      ILE   2  -1.737   2.424  -6.043
   14   HD12  ILE   2          1HD1      ILE   2  -1.860   2.621  -4.295
   15   HD13  ILE   2          2HD1      ILE   2  -0.896   3.753  -5.244
   16    H    ALA   3           H        ALA   3  -3.388  -0.676  -3.483
   17    HA   ALA   3           HA       ALA   3  -2.965  -3.272  -2.383
   18    HB1  ALA   3           1HB      ALA   3  -5.145  -3.046  -2.049
   19    HB2  ALA   3           2HB      ALA   3  -5.201  -1.644  -3.119
   20    HB3  ALA   3           3HB      ALA   3  -5.405  -3.266  -3.779
   21    H    HIS   4           H        HIS   4  -3.470  -5.298  -3.495
   22    HA   HIS   4           HA       HIS   4  -1.881  -5.784  -5.693
   23    HB2  HIS   4           2HB      HIS   4  -4.128  -7.240  -4.393
   24    HB3  HIS   4           3HB      HIS   4  -3.618  -7.793  -5.985
   25    HD1  HIS   4           HD1      HIS   4  -1.366  -6.560  -3.197
   26    HD2  HIS   4           HD2      HIS   4  -2.220 -10.034  -5.309
   27    HE1  HIS   4           HE1      HIS   4   0.348  -8.241  -2.448
   28    H    TYR   5           H        TYR   5  -2.012  -5.182  -7.743
   29    HA   TYR   5           HA       TYR   5  -2.819  -4.412  -9.726
   30    HB2  TYR   5           2HB      TYR   5  -5.408  -5.829  -9.217
   31    HB3  TYR   5           3HB      TYR   5  -4.495  -5.682 -10.715
   32    HD1  TYR   5           HD1      TYR   5  -2.019  -6.777 -10.491
   33    HD2  TYR   5           HD2      TYR   5  -5.465  -7.925  -8.275
   34    HE1  TYR   5           HE1      TYR   5  -1.026  -8.995 -10.107
   35    HE2  TYR   5           HE2      TYR   5  -4.481 -10.145  -7.884
   36    HH   TYR   5           HH       TYR   5  -1.668 -10.944  -7.921
   37    H    GLY   6           H        GLY   6  -3.257  -2.763  -7.423
   38    HA2  GLY   6           2HA      GLY   6  -5.899  -1.582  -7.904
   39    HA3  GLY   6           3HA      GLY   6  -4.841  -1.223  -6.547
   40    H    LYS   7           H        LYS   7  -6.194   0.600  -8.401
   41    HA   LYS   7           HA       LYS   7  -4.469   1.689 -10.305
   42    HB2  LYS   7           2HB      LYS   7  -6.947   2.427  -9.023
   43    HB3  LYS   7           3HB      LYS   7  -5.911   3.837  -9.201
   44    HG2  LYS   7           2HG      LYS   7  -5.879   2.326 -11.627
   45    HG3  LYS   7           3HG      LYS   7  -7.547   2.630 -11.139
   46    HD2  LYS   7           2HD      LYS   7  -6.713   4.423 -12.570
   47    HD3  LYS   7           3HD      LYS   7  -7.054   5.020 -10.944
   48    HE2  LYS   7           2HE      LYS   7  -4.660   4.825 -10.399
   49    HE3  LYS   7           3HE      LYS   7  -4.342   4.290 -12.049
   50    HZ1  LYS   7           3HZ      LYS   7  -3.867   6.608 -11.893
   51    HZ2  LYS   7           1HZ      LYS   7  -5.377   6.940 -11.204
   52    HZ3  LYS   7           2HZ      LYS   7  -5.275   6.435 -12.815
   53    H    CYS   8           H        CYS   8  -3.052   3.462 -10.258
   54    HA   CYS   8           HA       CYS   8  -2.015   4.135  -7.583
   55    HB2  CYS   8           2HB      CYS   8   0.193   4.502  -8.870
   56    HB3  CYS   8           3HB      CYS   8  -0.309   2.847  -8.541
   57    H    ASP   9           H        ASP   9  -0.636   6.209  -7.691
   58    HA   ASP   9           HA       ASP   9  -2.295   8.357  -8.333
   59    HB2  ASP   9           2HB      ASP   9   0.709   8.366  -7.965
   60    HB3  ASP   9           3HB      ASP   9  -0.337   9.782  -7.893
   61    H    GLY  10           H        GLY  10  -0.219   6.511 -10.328
   62    HA2  GLY  10           2HA      GLY  10  -0.588   6.738 -12.737
   63    HA3  GLY  10           3HA      GLY  10  -0.594   8.479 -12.500
   64    H    ILE  11           H        ILE  11   1.352   9.582 -12.260
   65    HA   ILE  11           HA       ILE  11   3.545   8.578 -13.675
   66    HB   ILE  11           HB       ILE  11   4.797  10.520 -12.812
   67   HG12  ILE  11          2HG1      ILE  11   2.673  11.868 -11.445
   68   HG13  ILE  11          3HG1      ILE  11   2.941  10.309 -10.672
   69   HG21  ILE  11          1HG2      ILE  11   1.975  11.047 -13.726
   70   HG22  ILE  11          2HG2      ILE  11   3.245  12.268 -13.681
   71   HG23  ILE  11          3HG2      ILE  11   3.411  10.863 -14.733
   72   HD11  ILE  11          3HD1      ILE  11   5.165  10.830 -10.155
   73   HD12  ILE  11          1HD1      ILE  11   5.188  12.203 -11.261
   74   HD13  ILE  11          2HD1      ILE  11   4.242  12.284  -9.774
   75    H    ILE  12           H        ILE  12   2.601   8.099 -10.426
   76    HA   ILE  12           HA       ILE  12   5.278   7.374  -9.535
   77    HB   ILE  12           HB       ILE  12   2.663   7.215  -8.032
   78   HG12  ILE  12          2HG1      ILE  12   4.833   9.316  -7.868
   79   HG13  ILE  12          3HG1      ILE  12   3.311   9.524  -8.727
   80   HG21  ILE  12          1HG2      ILE  12   3.780   6.250  -6.372
   81   HG22  ILE  12          2HG2      ILE  12   5.152   6.078  -7.466
   82   HG23  ILE  12          3HG2      ILE  12   5.029   7.494  -6.421
   83   HD11  ILE  12          3HD1      ILE  12   3.883   9.990  -5.997
   84   HD12  ILE  12          1HD1      ILE  12   2.364  10.222  -6.861
   85   HD13  ILE  12          2HD1      ILE  12   2.714   8.673  -6.094
   86    H    ASN  13           H        ASN  13   5.943   5.479 -10.365
   87    HA   ASN  13           HA       ASN  13   4.108   3.254 -10.664
   88    HB2  ASN  13           2HB      ASN  13   6.990   3.714 -11.394
   89    HB3  ASN  13           3HB      ASN  13   6.285   2.101 -11.458
   90   HD21  ASN  13          1HD2      ASN  13   4.678   5.140 -12.190
   91   HD22  ASN  13          2HD2      ASN  13   4.406   4.805 -13.863
   92    H    GLN  14           H        GLN  14   4.702   4.230  -7.979
   93    HA   GLN  14           HA       GLN  14   6.429   2.271  -6.756
   94    HB2  GLN  14           2HB      GLN  14   5.905   4.731  -6.004
   95    HB3  GLN  14           3HB      GLN  14   4.531   3.984  -5.200
   96    HG2  GLN  14           2HG      GLN  14   6.023   3.873  -3.507
   97    HG3  GLN  14           3HG      GLN  14   6.418   2.354  -4.308
   98   HE21  GLN  14          1HE2      GLN  14   8.181   2.459  -5.918
   99   HE22  GLN  14          2HE2      GLN  14   9.521   3.497  -5.586
  100    H    CYS  15           H        CYS  15   5.030   0.537  -7.830
  101    HA   CYS  15           HA       CYS  15   2.763  -0.151  -6.080
  102    HB2  CYS  15           2HB      CYS  15   2.443   0.154  -8.633
  103    HB3  CYS  15           3HB      CYS  15   3.261  -1.399  -8.770
  104    H    CYS  16           H        CYS  16   3.531  -1.420  -4.502
  105    HA   CYS  16           HA       CYS  16   5.750  -2.981  -4.404
  106    HB2  CYS  16           2HB      CYS  16   3.085  -3.158  -3.082
  107    HB3  CYS  16           3HB      CYS  16   4.176  -4.529  -2.908
  108    H    ASP  17           H        ASP  17   2.529  -4.340  -5.126
  109    HA   ASP  17           HA       ASP  17   3.839  -6.247  -6.944
  110    HB2  ASP  17           2HB      ASP  17   2.144  -6.791  -4.587
  111    HB3  ASP  17           3HB      ASP  17   1.739  -7.709  -6.035
  112    HA   PRO  18           HA       PRO  18   2.610  -8.270  -7.777
  113    HB2  PRO  18           2HB      PRO  18   2.722  -8.818 -10.434
  114    HB3  PRO  18           3HB      PRO  18   1.289  -9.131  -9.448
  115    HG2  PRO  18           2HG      PRO  18   1.868  -6.829 -11.272
  116    HG3  PRO  18           3HG      PRO  18   0.367  -7.753 -11.078
  117    HD2  PRO  18           2HD      PRO  18   0.742  -5.328  -9.934
  118    HD3  PRO  18           3HD      PRO  18  -0.250  -6.594  -9.184
  119    H    TRP  19           H        TRP  19   3.369  -5.961 -10.391
  120    HA   TRP  19           HA       TRP  19   6.216  -6.260  -9.699
  121    HB2  TRP  19           2HB      TRP  19   4.943  -6.155 -12.432
  122    HB3  TRP  19           3HB      TRP  19   6.653  -5.818 -12.175
  123    HD1  TRP  19           HD1      TRP  19   4.292  -8.625 -12.754
  124    HE1  TRP  19           HE1      TRP  19   5.510 -10.880 -12.514
  125    HE3  TRP  19           HE3      TRP  19   8.637  -6.976 -10.625
  126    HZ2  TRP  19           HZ2      TRP  19   7.986 -11.833 -11.549
  127    HZ3  TRP  19           HZ3      TRP  19  10.380  -8.624 -10.074
  128    HH2  TRP  19           HH2      TRP  19  10.059 -11.001 -10.527
  129    H    LEU  20           H        LEU  20   5.018  -4.215 -12.256
  130    HA   LEU  20           HA       LEU  20   5.440  -1.850 -10.554
  131    HB2  LEU  20           2HB      LEU  20   6.328  -0.743 -12.656
  132    HB3  LEU  20           3HB      LEU  20   7.377  -1.917 -11.863
  133    HG   LEU  20           HG       LEU  20   5.660  -2.837 -14.117
  134   HD11  LEU  20          1HD1      LEU  20   6.638  -0.753 -14.941
  135   HD12  LEU  20          2HD1      LEU  20   7.341  -2.159 -15.740
  136   HD13  LEU  20          3HD1      LEU  20   8.242  -1.321 -14.476
  137   HD21  LEU  20          3HD2      LEU  20   6.908  -4.653 -13.867
  138   HD22  LEU  20          1HD2      LEU  20   7.747  -3.880 -12.521
  139   HD23  LEU  20          2HD2      LEU  20   8.372  -3.713 -14.162
  140    H    CYS  21           H        CYS  21   4.412   0.129 -11.412
  141    HA   CYS  21           HA       CYS  21   1.735  -0.484 -12.333
  142    HB2  CYS  21           2HB      CYS  21   2.759   1.387 -10.594
  143    HB3  CYS  21           3HB      CYS  21   2.438   2.347 -12.034
  144    H    THR  22           H        THR  22   1.570  -0.842 -14.463
  145    HA   THR  22           HA       THR  22   2.476   1.287 -16.267
  146    HB   THR  22           HB       THR  22   2.910  -1.667 -16.753
  147    HG1  THR  22           HG1      THR  22   4.430  -0.376 -15.381
  148   HG21  THR  22          3HG2      THR  22   3.581   0.669 -18.545
  149   HG22  THR  22          1HG2      THR  22   2.214  -0.418 -18.785
  150   HG23  THR  22          2HG2      THR  22   3.862  -1.039 -18.883
  151    HA   PRO  23           HA       PRO  23   2.218   2.052 -18.182
  152    HB2  PRO  23           2HB      PRO  23   0.558   4.100 -18.829
  153    HB3  PRO  23           3HB      PRO  23   0.909   2.763 -19.931
  154    HG2  PRO  23           2HG      PRO  23  -1.465   3.181 -18.156
  155    HG3  PRO  23           3HG      PRO  23  -1.409   2.610 -19.834
  156    HD2  PRO  23           2HD      PRO  23  -1.697   0.928 -17.732
  157    HD3  PRO  23           3HD      PRO  23  -0.843   0.463 -19.217
  158    HA   PRO  24           HA       PRO  24   2.578   4.634 -14.641
  159    HB2  PRO  24           2HB      PRO  24   3.412   7.011 -15.653
  160    HB3  PRO  24           3HB      PRO  24   4.444   5.578 -15.594
  161    HG2  PRO  24           2HG      PRO  24   2.872   6.687 -17.888
  162    HG3  PRO  24           3HG      PRO  24   4.523   6.041 -17.872
  163    HD2  PRO  24           2HD      PRO  24   2.402   4.596 -18.736
  164    HD3  PRO  24           3HD      PRO  24   3.802   3.852 -17.937
  165    H    ILE  25           H        ILE  25   1.815   7.385 -16.634
  166    HA   ILE  25           HA       ILE  25  -0.020   8.510 -14.899
  167    HB   ILE  25           HB       ILE  25  -0.104   8.894 -17.888
  168   HG12  ILE  25          2HG1      ILE  25   1.748  10.138 -15.846
  169   HG13  ILE  25          3HG1      ILE  25   2.210   9.092 -17.185
  170   HG21  ILE  25          1HG2      ILE  25  -1.926   9.947 -16.706
  171   HG22  ILE  25          2HG2      ILE  25  -0.801  10.689 -15.569
  172   HG23  ILE  25          3HG2      ILE  25  -0.797  11.182 -17.263
  173   HD11  ILE  25          3HD1      ILE  25   1.611  11.960 -17.144
  174   HD12  ILE  25          1HD1      ILE  25   2.669  11.030 -18.204
  175   HD13  ILE  25          2HD1      ILE  25   0.932  11.070 -18.507
  176    H    ILE  26           H        ILE  26  -1.715   7.358 -14.161
  177    HA   ILE  26           HA       ILE  26  -3.784   6.406 -14.125
  178    HB   ILE  26           HB       ILE  26  -3.996   7.146 -17.043
  179   HG12  ILE  26          2HG1      ILE  26  -3.393   9.110 -15.681
  180   HG13  ILE  26          3HG1      ILE  26  -5.037   9.230 -16.299
  181   HG21  ILE  26          1HG2      ILE  26  -5.843   6.075 -15.018
  182   HG22  ILE  26          2HG2      ILE  26  -6.476   7.387 -16.010
  183   HG23  ILE  26          3HG2      ILE  26  -5.867   5.920 -16.775
  184   HD11  ILE  26          3HD1      ILE  26  -5.066   9.978 -14.057
  185   HD12  ILE  26          1HD1      ILE  26  -5.826   8.387 -14.076
  186   HD13  ILE  26          2HD1      ILE  26  -4.167   8.566 -13.503
  187    H    GLY  27           H        GLY  27  -2.838   4.341 -13.810
  188    HA2  GLY  27           2HA      GLY  27  -3.591   2.430 -15.804
  189    HA3  GLY  27           3HA      GLY  27  -1.846   2.599 -15.685
  190    H    PHE  28           H        PHE  28  -2.735   0.172 -15.182
  191    HA   PHE  28           HA       PHE  28  -2.740  -0.039 -12.242
  192    HB2  PHE  28           2HB      PHE  28  -3.863  -2.117 -14.118
  193    HB3  PHE  28           3HB      PHE  28  -4.085  -1.997 -12.376
  194    HD1  PHE  28           HD1      PHE  28  -4.959  -0.458 -15.614
  195    HD2  PHE  28           HD2      PHE  28  -5.815  -0.688 -11.451
  196    HE1  PHE  28           HE1      PHE  28  -7.035   0.812 -15.974
  197    HE2  PHE  28           HE2      PHE  28  -7.893   0.581 -11.805
  198    HZ   PHE  28           HZ       PHE  28  -8.506   1.332 -14.068
  199    H    CYS  29           H        CYS  29  -1.284  -1.378 -11.287
  200    HA   CYS  29           HA       CYS  29   0.970  -2.207 -12.859
  201    HB2  CYS  29           2HB      CYS  29   1.859  -3.015 -10.664
  202    HB3  CYS  29           3HB      CYS  29   1.387  -1.319 -10.661
  203    H    LEU  30           H        LEU  30   1.376  -4.151 -13.695
  204    HA   LEU  30           HA       LEU  30  -0.011  -6.499 -12.630
  205    HB2  LEU  30           2HB      LEU  30   0.023  -5.673 -15.528
  206    HB3  LEU  30           3HB      LEU  30  -0.480  -7.261 -14.953
  207    HG   LEU  30           HG       LEU  30  -1.945  -5.154 -13.621
  208   HD11  LEU  30          1HD1      LEU  30  -3.262  -4.482 -15.620
  209   HD12  LEU  30          2HD1      LEU  30  -2.023  -5.224 -16.632
  210   HD13  LEU  30          3HD1      LEU  30  -1.615  -3.851 -15.603
  211   HD21  LEU  30          3HD2      LEU  30  -3.276  -7.006 -15.486
  212   HD22  LEU  30          1HD2      LEU  30  -3.627  -6.643 -13.796
  213   HD23  LEU  30          2HD2      LEU  30  -2.324  -7.758 -14.205
  Start of MODEL   20
    1    H1   CYS   1           H        CYS   1   2.083   0.243   0.615
    2    HA   CYS   1           HA       CYS   1   2.226   1.755  -1.536
    3    HB2  CYS   1           2HB      CYS   1   3.808   0.029  -2.585
    4    HB3  CYS   1           3HB      CYS   1   4.194   0.599  -0.965
    5    H    ILE   2           H        ILE   2  -0.200   1.506  -2.084
    6    HA   ILE   2           HA       ILE   2  -1.749   1.090  -3.698
    7    HB   ILE   2           HB       ILE   2   0.621  -0.026  -5.199
    8   HG12  ILE   2          2HG1      ILE   2   0.694   2.404  -4.602
    9   HG13  ILE   2          3HG1      ILE   2   0.676   2.098  -6.335
   10   HG21  ILE   2          1HG2      ILE   2  -2.227   0.434  -6.022
   11   HG22  ILE   2          2HG2      ILE   2  -0.913   0.428  -7.198
   12   HG23  ILE   2          3HG2      ILE   2  -1.234  -1.009  -6.227
   13   HD11  ILE   2          3HD1      ILE   2  -1.704   2.618  -6.403
   14   HD12  ILE   2          1HD1      ILE   2  -1.688   2.921  -4.666
   15   HD13  ILE   2          2HD1      ILE   2  -0.764   3.960  -5.751
   16    H    ALA   3           H        ALA   3  -3.283  -0.427  -3.781
   17    HA   ALA   3           HA       ALA   3  -2.853  -2.982  -2.609
   18    HB1  ALA   3           1HB      ALA   3  -5.208  -1.758  -4.023
   19    HB2  ALA   3           2HB      ALA   3  -5.235  -3.391  -3.355
   20    HB3  ALA   3           3HB      ALA   3  -4.981  -2.007  -2.291
   21    H    HIS   4           H        HIS   4  -3.361  -5.050  -3.639
   22    HA   HIS   4           HA       HIS   4  -1.787  -5.595  -5.846
   23    HB2  HIS   4           2HB      HIS   4  -4.042  -7.061  -4.523
   24    HB3  HIS   4           3HB      HIS   4  -3.352  -7.692  -6.016
   25    HD1  HIS   4           HD1      HIS   4  -1.517  -6.154  -3.068
   26    HD2  HIS   4           HD2      HIS   4  -1.831  -9.754  -5.117
   27    HE1  HIS   4           HE1      HIS   4   0.229  -7.657  -2.058
   28    H    TYR   5           H        TYR   5  -1.986  -5.093  -7.917
   29    HA   TYR   5           HA       TYR   5  -2.863  -4.438  -9.912
   30    HB2  TYR   5           2HB      TYR   5  -5.434  -5.833  -9.344
   31    HB3  TYR   5           3HB      TYR   5  -4.450  -5.843 -10.803
   32    HD1  TYR   5           HD1      TYR   5  -2.072  -7.004 -10.484
   33    HD2  TYR   5           HD2      TYR   5  -5.498  -7.759  -8.077
   34    HE1  TYR   5           HE1      TYR   5  -1.131  -9.184  -9.841
   35    HE2  TYR   5           HE2      TYR   5  -4.566  -9.941  -7.426
   36    HH   TYR   5           HH       TYR   5  -1.395 -10.788  -7.855
   37    H    GLY   6           H        GLY   6  -3.324  -2.737  -7.611
   38    HA2  GLY   6           2HA      GLY   6  -5.972  -1.597  -8.174
   39    HA3  GLY   6           3HA      GLY   6  -4.973  -1.230  -6.776
   40    H    LYS   7           H        LYS   7  -6.267   0.585  -8.674
   41    HA   LYS   7           HA       LYS   7  -4.597   1.702 -10.560
   42    HB2  LYS   7           2HB      LYS   7  -6.954   2.500  -9.113
   43    HB3  LYS   7           3HB      LYS   7  -5.861   3.869  -9.270
   44    HG2  LYS   7           2HG      LYS   7  -6.001   2.520 -11.775
   45    HG3  LYS   7           3HG      LYS   7  -7.639   2.818 -11.189
   46    HD2  LYS   7           2HD      LYS   7  -6.846   4.687 -12.539
   47    HD3  LYS   7           3HD      LYS   7  -7.087   5.184 -10.862
   48    HE2  LYS   7           2HE      LYS   7  -4.669   4.906 -10.465
   49    HE3  LYS   7           3HE      LYS   7  -4.456   4.483 -12.163
   50    HZ1  LYS   7           3HZ      LYS   7  -5.356   7.086 -11.062
   51    HZ2  LYS   7           1HZ      LYS   7  -5.412   6.698 -12.708
   52    HZ3  LYS   7           2HZ      LYS   7  -3.925   6.768 -11.906
   53    H    CYS   8           H        CYS   8  -3.155   3.488 -10.536
   54    HA   CYS   8           HA       CYS   8  -1.822   3.890  -7.937
   55    HB2  CYS   8           2HB      CYS   8  -0.502   4.129 -10.641
   56    HB3  CYS   8           3HB      CYS   8   0.276   4.061  -9.063
   57    H    ASP   9           H        ASP   9  -0.639   5.976  -7.756
   58    HA   ASP   9           HA       ASP   9  -2.357   8.148  -8.157
   59    HB2  ASP   9           2HB      ASP   9   0.625   8.163  -7.640
   60    HB3  ASP   9           3HB      ASP   9  -0.446   9.549  -7.459
   61    H    GLY  10           H        GLY  10  -0.222   6.614 -10.317
   62    HA2  GLY  10           2HA      GLY  10  -0.441   7.148 -12.671
   63    HA3  GLY  10           3HA      GLY  10  -0.573   8.841 -12.220
   64    H    ILE  11           H        ILE  11   1.289  10.011 -11.702
   65    HA   ILE  11           HA       ILE  11   3.598   9.356 -13.137
   66    HB   ILE  11           HB       ILE  11   4.684  11.220 -11.961
   67   HG12  ILE  11          2HG1      ILE  11   2.530  12.281 -10.463
   68   HG13  ILE  11          3HG1      ILE  11   2.710  10.601  -9.968
   69   HG21  ILE  11          1HG2      ILE  11   1.842  11.776 -12.800
   70   HG22  ILE  11          2HG2      ILE  11   3.118  12.983 -12.654
   71   HG23  ILE  11          3HG2      ILE  11   3.251  11.702 -13.858
   72   HD11  ILE  11          3HD1      ILE  11   4.001  12.275  -8.629
   73   HD12  ILE  11          1HD1      ILE  11   4.953  10.952  -9.301
   74   HD13  ILE  11          2HD1      ILE  11   4.998  12.544 -10.058
   75    H    ILE  12           H        ILE  12   2.563   8.380 -10.021
   76    HA   ILE  12           HA       ILE  12   5.264   7.559  -9.238
   77    HB   ILE  12           HB       ILE  12   2.736   7.328  -7.609
   78   HG12  ILE  12          2HG1      ILE  12   4.815   9.526  -7.581
   79   HG13  ILE  12          3HG1      ILE  12   3.175   9.681  -8.201
   80   HG21  ILE  12          1HG2      ILE  12   5.294   7.633  -6.245
   81   HG22  ILE  12          2HG2      ILE  12   3.995   6.473  -5.973
   82   HG23  ILE  12          3HG2      ILE  12   5.195   6.174  -7.231
   83   HD11  ILE  12          3HD1      ILE  12   2.380   9.084  -5.886
   84   HD12  ILE  12          1HD1      ILE  12   4.051   9.285  -5.359
   85   HD13  ILE  12          2HD1      ILE  12   3.176  10.648  -6.057
   86    H    ASN  13           H        ASN  13   5.792   5.701 -10.238
   87    HA   ASN  13           HA       ASN  13   3.821   3.579 -10.530
   88    HB2  ASN  13           2HB      ASN  13   6.696   3.782 -11.455
   89    HB3  ASN  13           3HB      ASN  13   5.628   2.424 -11.797
   90   HD21  ASN  13          1HD2      ASN  13   5.684   5.961 -12.059
   91   HD22  ASN  13          2HD2      ASN  13   4.929   6.027 -13.612
   92    H    GLN  14           H        GLN  14   4.747   4.321  -7.871
   93    HA   GLN  14           HA       GLN  14   6.533   2.230  -7.002
   94    HB2  GLN  14           2HB      GLN  14   5.139   4.527  -5.725
   95    HB3  GLN  14           3HB      GLN  14   5.608   3.186  -4.688
   96    HG2  GLN  14           2HG      GLN  14   7.258   5.055  -4.828
   97    HG3  GLN  14           3HG      GLN  14   7.897   3.459  -5.217
   98   HE21  GLN  14          1HE2      GLN  14   8.341   2.951  -7.395
   99   HE22  GLN  14          2HE2      GLN  14   8.607   4.193  -8.566
  100    H    CYS  15           H        CYS  15   5.039   0.570  -7.986
  101    HA   CYS  15           HA       CYS  15   2.881  -0.148  -6.116
  102    HB2  CYS  15           2HB      CYS  15   2.343   0.223  -8.583
  103    HB3  CYS  15           3HB      CYS  15   3.249  -1.254  -8.898
  104    H    CYS  16           H        CYS  16   3.736  -1.451  -4.608
  105    HA   CYS  16           HA       CYS  16   5.938  -3.063  -4.731
  106    HB2  CYS  16           2HB      CYS  16   3.371  -3.371  -3.186
  107    HB3  CYS  16           3HB      CYS  16   4.708  -4.498  -2.987
  108    H    ASP  17           H        ASP  17   2.685  -4.501  -4.850
  109    HA   ASP  17           HA       ASP  17   3.728  -6.458  -6.791
  110    HB2  ASP  17           2HB      ASP  17   1.318  -7.252  -5.330
  111    HB3  ASP  17           3HB      ASP  17   2.809  -8.146  -5.616
  112    HA   PRO  18           HA       PRO  18   2.330  -8.402  -7.508
  113    HB2  PRO  18           2HB      PRO  18   2.307  -9.048 -10.145
  114    HB3  PRO  18           3HB      PRO  18   0.891  -9.220  -9.101
  115    HG2  PRO  18           2HG      PRO  18   1.570  -7.032 -11.027
  116    HG3  PRO  18           3HG      PRO  18   0.014  -7.835 -10.750
  117    HD2  PRO  18           2HD      PRO  18   0.605  -5.406  -9.709
  118    HD3  PRO  18           3HD      PRO  18  -0.449  -6.569  -8.880
  119    H    TRP  19           H        TRP  19   3.161  -6.253 -10.235
  120    HA   TRP  19           HA       TRP  19   6.001  -6.705  -9.605
  121    HB2  TRP  19           2HB      TRP  19   4.607  -6.845 -12.257
  122    HB3  TRP  19           3HB      TRP  19   6.296  -6.352 -12.179
  123    HD1  TRP  19           HD1      TRP  19   4.459  -9.309 -12.892
  124    HE1  TRP  19           HE1      TRP  19   5.760 -11.453 -12.315
  125    HE3  TRP  19           HE3      TRP  19   8.054  -7.288  -9.871
  126    HZ2  TRP  19           HZ2      TRP  19   8.013 -12.191 -10.782
  127    HZ3  TRP  19           HZ3      TRP  19   9.745  -8.782  -8.889
  128    HH2  TRP  19           HH2      TRP  19   9.723 -11.182  -9.336
  129    H    LEU  20           H        LEU  20   4.844  -4.763 -12.263
  130    HA   LEU  20           HA       LEU  20   5.526  -2.328 -10.753
  131    HB2  LEU  20           2HB      LEU  20   6.741  -1.459 -12.508
  132    HB3  LEU  20           3HB      LEU  20   7.180  -3.165 -12.551
  133    HG   LEU  20           HG       LEU  20   5.153  -1.850 -14.360
  134   HD11  LEU  20          1HD1      LEU  20   6.755  -1.722 -16.017
  135   HD12  LEU  20          2HD1      LEU  20   7.815  -2.892 -15.231
  136   HD13  LEU  20          3HD1      LEU  20   7.669  -1.259 -14.581
  137   HD21  LEU  20          3HD2      LEU  20   5.679  -4.074 -15.624
  138   HD22  LEU  20          1HD2      LEU  20   4.506  -4.059 -14.307
  139   HD23  LEU  20          2HD2      LEU  20   6.145  -4.646 -14.021
  140    H    CYS  21           H        CYS  21   4.549  -0.340 -11.638
  141    HA   CYS  21           HA       CYS  21   1.790  -0.864 -12.424
  142    HB2  CYS  21           2HB      CYS  21   2.528   0.691 -10.493
  143    HB3  CYS  21           3HB      CYS  21   2.924   1.842 -11.765
  144    H    THR  22           H        THR  22   1.559  -1.092 -14.565
  145    HA   THR  22           HA       THR  22   2.452   1.121 -16.268
  146    HB   THR  22           HB       THR  22   3.111  -1.777 -16.653
  147    HG1  THR  22           HG1      THR  22   4.662  -0.208 -15.859
  148   HG21  THR  22          3HG2      THR  22   1.929  -1.307 -18.672
  149   HG22  THR  22          1HG2      THR  22   3.649  -1.207 -19.044
  150   HG23  THR  22          2HG2      THR  22   2.705   0.268 -18.831
  151    HA   PRO  23           HA       PRO  23   2.157   1.995 -18.128
  152    HB2  PRO  23           2HB      PRO  23   0.479   4.070 -18.627
  153    HB3  PRO  23           3HB      PRO  23   0.816   2.800 -19.810
  154    HG2  PRO  23           2HG      PRO  23  -1.528   3.105 -17.974
  155    HG3  PRO  23           3HG      PRO  23  -1.500   2.632 -19.683
  156    HD2  PRO  23           2HD      PRO  23  -1.746   0.830 -17.677
  157    HD3  PRO  23           3HD      PRO  23  -0.916   0.455 -19.201
  158    HA   PRO  24           HA       PRO  24   2.571   4.348 -14.437
  159    HB2  PRO  24           2HB      PRO  24   3.433   6.767 -15.318
  160    HB3  PRO  24           3HB      PRO  24   4.445   5.318 -15.345
  161    HG2  PRO  24           2HG      PRO  24   2.878   6.577 -17.564
  162    HG3  PRO  24           3HG      PRO  24   4.520   5.908 -17.593
  163    HD2  PRO  24           2HD      PRO  24   2.374   4.545 -18.526
  164    HD3  PRO  24           3HD      PRO  24   3.767   3.738 -17.778
  165    H    ILE  25           H        ILE  25   1.739   7.130 -16.409
  166    HA   ILE  25           HA       ILE  25  -0.076   8.176 -14.544
  167    HB   ILE  25           HB       ILE  25  -0.138   8.844 -17.478
  168   HG12  ILE  25          2HG1      ILE  25   1.870   9.684 -15.384
  169   HG13  ILE  25          3HG1      ILE  25   2.190   8.881 -16.917
  170   HG21  ILE  25          1HG2      ILE  25  -0.287  10.970 -15.482
  171   HG22  ILE  25          2HG2      ILE  25  -1.310  10.654 -16.882
  172   HG23  ILE  25          3HG2      ILE  25  -1.597   9.795 -15.369
  173   HD11  ILE  25          3HD1      ILE  25   2.752  10.980 -17.516
  174   HD12  ILE  25          1HD1      ILE  25   1.023  11.086 -17.843
  175   HD13  ILE  25          2HD1      ILE  25   1.677  11.726 -16.335
  176    H    ILE  26           H        ILE  26  -1.875   7.127 -13.969
  177    HA   ILE  26           HA       ILE  26  -3.976   6.254 -14.094
  178    HB   ILE  26           HB       ILE  26  -3.977   6.946 -17.028
  179   HG12  ILE  26          2HG1      ILE  26  -3.325   8.942 -15.809
  180   HG13  ILE  26          3HG1      ILE  26  -4.995   9.106 -16.342
  181   HG21  ILE  26          1HG2      ILE  26  -5.911   5.792 -16.753
  182   HG22  ILE  26          2HG2      ILE  26  -6.007   6.147 -15.028
  183   HG23  ILE  26          3HG2      ILE  26  -6.478   7.370 -16.208
  184   HD11  ILE  26          3HD1      ILE  26  -4.932   9.927 -14.148
  185   HD12  ILE  26          1HD1      ILE  26  -5.659   8.325 -14.030
  186   HD13  ILE  26          2HD1      ILE  26  -3.971   8.563 -13.577
  187    H    GLY  27           H        GLY  27  -3.020   4.177 -13.718
  188    HA2  GLY  27           2HA      GLY  27  -3.738   2.263 -15.721
  189    HA3  GLY  27           3HA      GLY  27  -1.995   2.413 -15.558
  190    H    PHE  28           H        PHE  28  -2.650   0.016 -15.044
  191    HA   PHE  28           HA       PHE  28  -2.766  -0.184 -12.112
  192    HB2  PHE  28           2HB      PHE  28  -3.965  -2.298 -13.881
  193    HB3  PHE  28           3HB      PHE  28  -4.246  -2.004 -12.168
  194    HD1  PHE  28           HD2      PHE  28  -4.983  -0.828 -15.574
  195    HD2  PHE  28           HD1      PHE  28  -5.889  -0.454 -11.432
  196    HE1  PHE  28           HE2      PHE  28  -6.983   0.491 -16.134
  197    HE2  PHE  28           HE1      PHE  28  -7.891   0.865 -11.986
  198    HZ   PHE  28           HZ       PHE  28  -8.439   1.340 -14.339
  199    H    CYS  29           H        CYS  29  -1.319  -1.539 -11.180
  200    HA   CYS  29           HA       CYS  29   0.841  -2.502 -12.811
  201    HB2  CYS  29           2HB      CYS  29   1.781  -3.274 -10.618
  202    HB3  CYS  29           3HB      CYS  29   1.396  -1.557 -10.674
  203    H    LEU  30           H        LEU  30   1.153  -4.495 -13.573
  204    HA   LEU  30           HA       LEU  30  -0.305  -6.737 -12.379
  205    HB2  LEU  30           2HB      LEU  30  -0.645  -7.530 -14.822
  206    HB3  LEU  30           3HB      LEU  30  -1.761  -6.362 -14.118
  207    HG   LEU  30           HG       LEU  30  -0.477  -4.555 -15.277
  208   HD11  LEU  30          1HD1      LEU  30   0.758  -5.737 -17.359
  209   HD12  LEU  30          2HD1      LEU  30   1.124  -6.892 -16.078
  210   HD13  LEU  30          3HD1      LEU  30   1.588  -5.200 -15.898
  211   HD21  LEU  30          3HD2      LEU  30  -2.567  -5.820 -16.141
  212   HD22  LEU  30          1HD2      LEU  30  -1.447  -6.533 -17.302
  213   HD23  LEU  30          2HD2      LEU  30  -1.668  -4.784 -17.250