*HEADER    ANTIMICROBIAL PROTEIN                   23-JAN-17   5UKZ              
*TITLE     NMR SOLUTION STRUCTURE OF CHEMICALLY SYNTHESIZED ANTILISTERIAL        
*TITLE    2 PEDIOCIN PA-1 M31L ANALOG.                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BACTERIOCIN PEDIOCIN PA-1 M31L;                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 19-62;                                        
*COMPND   5 SYNONYM: PEDIOCIN ACH;                                               
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES;                                                       
*COMPND   8 OTHER_DETAILS: PEDIOCIN PA-1 M31L                                    
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: PEDIOCOCCUS ACIDILACTICI;                       
*SOURCE   4 ORGANISM_TAXID: 1254;                                                
*SOURCE   5 OTHER_DETAILS: PEDIOCIN PA-1 PRODUCER                                
*KEYWDS    ANTILISTERIAL, PEDIOCIN PA-1, PEDIOCOCCUS ACIDILACTICI UL5,           
*KEYWDS   2 BACTERIOCIN, CHEMICAL SYNTHESIS, ANTIMICROBIAL PROTEIN               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    F.BEDARD,R.HAMMAMI,S.ZIRAH,S.REBUFFAT,I.FLISS,E.BIRON                 
*REVDAT   1   27-JUN-18 5UKZ    0                                                
# Restraints file 1: PediocinPA1_M31L_CS_F0XBHLz.txt
_Assigned_chem_shift_list.Polymer_seq_one_letter_code KYYGNGVTCGKHSCSVDWGKATTCIINNGALAWATGGHQGNHKC

loop_
    _Atom_chem_shift.ID
    _Atom_chem_shift.Comp_index_ID
    _Atom_chem_shift.Comp_ID
    _Atom_chem_shift.Atom_ID
    _Atom_chem_shift.Val
    _Atom_chem_shift.Entity_ID

	 8    2    TYR    HA    4.679   1
   213    2    TYR    H     8.408   1 
	 9    2    TYR    HB2   2.947   1
	10    2    TYR    HB3   2.947   1
	11    2    TYR    HD1   7.112   1
	12    2    TYR    HD2   7.112   1
	13    2    TYR    HE1   6.795   1
	14    2    TYR    HE2   6.795   1
	15    3    TYR    HA    4.525   1
   214    3    TYR    H     8.030   1
	16    3    TYR    HB2   3.048   1
	17    3    TYR    HB3   2.777   1
	18    3    TYR    HD1   7.067   1
	19    3    TYR    HD2   7.067   1
	20    3    TYR    HE1   6.787   1
	21    3    TYR    HE2   6.787   1
   215    4    GLY    H     7.003   1
	22    4    GLY    HA2   3.978   1
	23    4    GLY    HA3   3.765   1
    24    5    ASN    HA    4.683   1
   216    5    ASN    H     8.089   1
    25    5    ASN    HB2   2.834   1
    26    5    ASN    HB3   2.834   1
    27    5    ASN    HD21  7.320   1
    28    5    ASN    HD22  6.585   1
   217    6    GLY    H     8.281   1
	29    6    GLY    HA2   4.034   1
	30    6    GLY    HA3   3.894   1
	31    7    VAL    HA    4.272   1
   218    7    VAL    H     7.797   1
	32    7    VAL    HB    2.100   1
	34    7    VAL    HG1   0.908   1
	35    7    VAL    HG2   0.908   1
	37    8    THR    HA    4.594   1
   219    8    THR    H     8.173   1
	38    8    THR    HB    4.179   1
	40    8    THR    HG2   1.187   1
	42    9    CYS    HA    4.989   1
   220    9    CYS    H     8.387   1
	43    9    CYS    HB2   3.156   1
	44    9    CYS    HB3   2.975   1
   221    10   GLY    H     8.323   1
	45    10   GLY    HA2   4.040   1
	46    10   GLY    HA3   3.917   1
	47    11   LYS    HA    4.165   1
   222    11   LYS    H     8.265   1
	48    11   LYS    HB2   1.792   1
	49    11   LYS    HB3   1.792   1
	50    11   LYS    HG2   1.397   1
	51    11   LYS    HG3   1.397   1
	52    11   LYS    HD2   1.690   1
	53    11   LYS    HD3   1.690   1
	54    11   LYS    HE2   2.983   1
	55    11   LYS    HE3   2.983   1
	56    12   HIS    HA    4.612   1
   223    12   HIS    H     8.184   1
	57    12   HIS    HB2   3.360   1
	58    12   HIS    HB3   3.221   1
	59    12   HIS    HD2   7.294   1
	60    12   HIS    HE1   8.500   1
	61    13   SER    HA    4.544   1
   224    13   SER    H     7.913   1
	62    13   SER    HB2   3.967   1
	63    13   SER    HB3   3.967   1
	64    14   CYS    HA    5.029   1
   225    14   CYS    H     8.488   1
	65    14   CYS    HB2   3.118   1
	66    14   CYS    HB3   2.965   1
	67    15   SER    HA    4.501   1
   226    15   SER    H     8.423   1
	68    15   SER    HB2   3.857   1
	69    15   SER    HB3   3.857   1
   227    16   VAL    H     8.085   1
	71    16   VAL    HB    1.921   1
	73    16   VAL    HG1   0.907   1
	74    16   VAL    HG2   0.803   1
	76    17   ASP    HA    4.455   1
   228    17   ASP    H     8.000   1
	77    17   ASP    HB2   3.233   1
	78    17   ASP    HB3   3.233   1
	79    18   TRP    HA    4.479   1
   229    18   TRP    H     7.964   1
	79    18   TRP    HB2   3.366   1
	79    18   TRP    HB3   3.257   1
	80    18   TRP    HD1   7.230   1
	81    18   TRP    HE3   7.521   1
	82    18   TRP    HZ2   7.406   1
	83    18   TRP    HZ3   7.058   1
	84    18   TRP    HH2   7.156   1
   256    18   TRP    HE1   9.690   1
   230    19   GLY    H     8.370   1
	85    19   GLY    HA2   3.910   1
	86    19   GLY    HA3   3.809   1
	87    20   LYS    HA    4.211   1
   231    20   LYS    H     7.876   1	
	88    20   LYS    HB2   1.690   1
	89    20   LYS    HB3   1.690   1
	90    20   LYS    HG2   1.411   1
	91    20   LYS    HG3   1.411   1
	92    20   LYS    HD2   1.584   1
	93    20   LYS    HD3   1.584   1
	96    21   ALA    HA    4.111   1
   232    21   ALA    H     7.941   1
	97    21   ALA    HB    1.425   1
   100    22   THR    HA    4.380   1
   233    22   THR    H     7.800   1
   101    22   THR    HB    4.020   1
   103    22   THR    HG2   1.250   1
   127    27   ASN    HA    4.688   1
   238    27   ASN    H     8.127   1
   128    27   ASN    HB2   2.839   1
   129    27   ASN    HB3   2.839   1
   130    27   ASN    HD21  7.352   1
   131    27   ASN    HD22  6.793   1
   132    28   ASN    HA    4.674   1
   239    28   ASN    H     8.135   1
   133    28   ASN    HB2   2.862   1
   134    28   ASN    HB3   2.682   1
   135    28   ASN    HD21  7.259   1
   136    28   ASN    HD22  6.558   1
   240    29   GLY    H     8.243   1
   137    29   GLY    HA2   3.945   1
   138    29   GLY    HA3   3.945   1
   139    30   ALA    HA    4.203   1
   241    30   ALA    H     8.116   1
   140    30   ALA    HB    1.485   1
   143    31   LEU    HA    4.090   1
   242    31   LEU    H     7.810   1
   144    31   LEU    HB2   1.770   1
   145    31   LEU    HB3   1.770   1
   147    31   LEU    HD1   0.810   1
   152    31   LEU    HD2   0.570   1
   153    32   ALA    HA    4.130   1
   243    32   ALA    H     8.125   1
   154    32   ALA    HB    1.429   1
   157    33   TRP    HA    4.412   1
   244    33   TRP    H     7.838   1
   158    33   TRP    HB2   3.391   1
   159    33   TRP    HB3   3.391   1
   160    33   TRP    HD1   7.237   1
   161    33   TRP    HE3   7.575   1
   162    33   TRP    HZ2   7.410   1
   163    33   TRP    HZ3   7.097   1
   164    33   TRP    HH2   7.168   1
   257    33   TRP    HE1   9.670   1
   165    34   ALA    HA    4.079   1
   245    34   ALA    H     8.110   1
   166    34   ALA    HB    1.390   1
   169    35   THR    HA    4.540   1
   246    35   THR    H     7.960   1
   170    35   THR    HB    4.180   1
   172    35   THR    HG2   1.160   1
   248    37   GLY    H     8.515   1
   176    37   GLY    HA2   3.936   1
   177    37   GLY    HA3   3.741   1
   178    38   HIS    HA    4.697   1
   249    38   HIS    H     7.946   1
   179    38   HIS    HB2   3.319   1
   180    38   HIS    HB3   3.140   1
   181    38   HIS    HD2   7.946   1
   182    38   HIS    HE1   8.510   1
   183    39   GLN    HA    4.396   1
   250    39   GLN    H     8.350   1
   184    39   GLN    HB2   2.376   1
   185    39   GLN    HB3   2.128   1
   186    39   GLN    HG2   1.979   1
   187    39   GLN    HG3   1.979   1
   251    40   GLY    H     8.200   1
   188    40   GLY    HA2   3.930   1
   189    40   GLY    HA3   3.930   1
   190    41   ASN    HA    4.598   1
   252    41   ASN    H     8.132   1
   191    41   ASN    HB2   2.758   1
   192    41   ASN    HB3   2.758   1
   193    41   ASN    HD21  7.333   1
   194    41   ASN    HD22  6.631   1
   195    42   HIS    HA    4.758   1
   253    42   HIS    H     8.300   1
   196    42   HIS    HB2   3.289   1
   197    42   HIS    HB3   3.152   1
   198    42   HIS    HD2   7.287   1
   199    42   HIS    HE1   8.527   1
   200    43   LYS    HA    4.361   1
   254    43   LYS    H     8.152   1
   201    43   LYS    HB2   1.853   1
   202    43   LYS    HB3   1.853   1
   203    43   LYS    HG2   1.439   1
   204    43   LYS    HG3   1.439   1
   205    43   LYS    HD2   1.745   1
   206    43   LYS    HD3   1.745   1
   207    43   LYS    HE2   2.992   1
   208    43   LYS    HE3   2.992   1
   209    44   CYS    HA    4.538   1
   255    44   CYS    H     7.920   1
   211    44   CYS    HB2   3.295   1
   212    44   CYS    HB3   3.004   1
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1          1H        LYS   1  -0.334  -0.943  -0.000
    2    H2   LYS   1          2H        LYS   1  -0.334   0.471   0.816
    3    H3   LYS   1          3H        LYS   1  -0.334   0.471  -0.816
    4    HA   LYS   1           HA       LYS   1   1.804  -0.492   0.910
    5    HB2  LYS   1          1HB       LYS   1   1.624  -1.797  -1.177
    6    HB3  LYS   1          2HB       LYS   1   1.621  -0.316  -2.125
    7    HG2  LYS   1          1HG       LYS   1   3.906   0.182  -1.432
    8    HG3  LYS   1          2HG       LYS   1   3.917  -1.231  -0.368
    9    HD2  LYS   1          1HD       LYS   1   3.600  -2.714  -2.315
   10    HD3  LYS   1          2HD       LYS   1   3.558  -1.306  -3.387
   11    HE2  LYS   1          1HE       LYS   1   5.862  -0.721  -2.716
   12    HE3  LYS   1          2HE       LYS   1   5.907  -2.114  -1.632
   13    HZ1  LYS   1          1HZ       LYS   1   6.956  -2.587  -3.721
   14    HZ2  LYS   1          2HZ       LYS   1   5.619  -3.536  -3.543
   15    HZ3  LYS   1          3HZ       LYS   1   5.578  -2.235  -4.556
   16    H    TYR   2           H        TYR   2   0.819   1.898  -1.565
   17    HA   TYR   2           HA       TYR   2   3.063   3.627  -0.681
   18    HB2  TYR   2          1HB       TYR   2   1.193   3.826  -3.078
   19    HB3  TYR   2          2HB       TYR   2   2.487   4.962  -2.721
   20    HD1  TYR   2           HD1      TYR   2   1.611   1.818  -4.225
   21    HD2  TYR   2           HD2      TYR   2   4.880   4.116  -2.663
   22    HE1  TYR   2           HE1      TYR   2   3.205   0.394  -5.466
   23    HE2  TYR   2           HE2      TYR   2   6.474   2.693  -3.905
   24    HH   TYR   2           HH       TYR   2   6.702   1.058  -5.399
   25    H    TYR   3           H        TYR   3  -0.459   3.525  -0.853
   26    HA   TYR   3           HA       TYR   3  -1.105   6.145  -0.137
   27    HB2  TYR   3          1HB       TYR   3  -2.781   4.392  -0.622
   28    HB3  TYR   3          2HB       TYR   3  -2.376   3.571   0.879
   29    HD1  TYR   3           HD1      TYR   3  -3.783   6.712  -0.524
   30    HD2  TYR   3           HD2      TYR   3  -3.349   4.203   2.929
   31    HE1  TYR   3           HE1      TYR   3  -5.471   8.064   0.671
   32    HE2  TYR   3           HE2      TYR   3  -5.037   5.556   4.124
   33    HH   TYR   3           HH       TYR   3  -6.599   8.345   2.564
   34    H    GLY   4           H        GLY   4  -0.485   7.429   1.419
   35    HA2  GLY   4          1HA       GLY   4  -0.478   7.933   3.805
   36    HA3  GLY   4          2HA       GLY   4  -0.034   6.269   4.135
   37    H    ASN   5           H        ASN   5   1.817   6.643   1.608
   38    HA   ASN   5           HA       ASN   5   4.078   7.789   3.184
   39    HB2  ASN   5          1HB       ASN   5   4.041   5.813   0.881
   40    HB3  ASN   5          2HB       ASN   5   5.508   6.517   1.546
   41   HD21  ASN   5          1HD2      ASN   5   4.089   3.229   3.158
   42   HD22  ASN   5          2HD2      ASN   5   3.771   3.818   1.561
   43    H    GLY   6           H        GLY   6   2.416   9.648   2.095
   44    HA2  GLY   6          1HA       GLY   6   2.919  11.668   0.900
   45    HA3  GLY   6          2HA       GLY   6   4.082  10.796  -0.081
   46    H    VAL   7           H        VAL   7   1.304   8.930   0.288
   47    HA   VAL   7           HA       VAL   7   0.164   9.983  -2.268
   48    HB   VAL   7           HB       VAL   7   0.363   7.078  -1.364
   49   HG11  VAL   7          1HG1      VAL   7  -0.549   6.543  -3.570
   50   HG12  VAL   7          2HG1      VAL   7  -1.686   7.502  -2.594
   51   HG13  VAL   7          3HG1      VAL   7  -0.762   8.278  -3.902
   52   HG21  VAL   7          1HG2      VAL   7   1.897   6.850  -3.291
   53   HG22  VAL   7          2HG2      VAL   7   1.759   8.596  -3.606
   54   HG23  VAL   7          3HG2      VAL   7   2.523   8.020  -2.106
   55    H    THR   8           H        THR   8  -1.911  10.510  -2.233
   56    HA   THR   8           HA       THR   8  -3.744   9.093  -0.403
   57    HB   THR   8           HB       THR   8  -2.946  11.064   0.910
   58    HG1  THR   8           HG1      THR   8  -5.627  11.519   0.088
   59   HG21  THR   8          1HG2      THR   8  -3.606  13.321   0.176
   60   HG22  THR   8          2HG2      THR   8  -2.487  12.575  -0.990
   61   HG23  THR   8          3HG2      THR   8  -4.227  12.649  -1.349
   62    H    CYS   9           H        CYS   9  -5.931   9.236  -0.964
   63    HA   CYS   9           HA       CYS   9  -6.391  10.355  -3.698
   64    HB2  CYS   9          1HB       CYS   9  -7.517   7.832  -2.428
   65    HB3  CYS   9          2HB       CYS   9  -8.122   8.524  -3.926
   66    H    GLY  10           H        GLY  10  -8.349  11.343  -4.134
   67    HA2  GLY  10          1HA       GLY  10  -9.849  12.229  -1.716
   68    HA3  GLY  10          2HA       GLY  10  -9.830  13.044  -3.268
   69    H    LYS  11           H        LYS  11 -11.771  12.965  -4.194
   70    HA   LYS  11           HA       LYS  11 -13.534  10.646  -3.650
   71    HB2  LYS  11          1HB       LYS  11 -14.414  12.957  -3.331
   72    HB3  LYS  11          2HB       LYS  11 -14.132  13.291  -5.034
   73    HG2  LYS  11          1HG       LYS  11 -15.770  11.605  -5.682
   74    HG3  LYS  11          2HG       LYS  11 -16.003  11.147  -3.989
   75    HD2  LYS  11          1HD       LYS  11 -16.796  13.447  -3.486
   76    HD3  LYS  11          2HD       LYS  11 -16.592  13.878  -5.191
   77    HE2  LYS  11          1HE       LYS  11 -18.227  12.120  -5.819
   78    HE3  LYS  11          2HE       LYS  11 -18.446  11.721  -4.114
   79    HZ1  LYS  11          1HZ       LYS  11 -20.152  13.190  -4.902
   80    HZ2  LYS  11          2HZ       LYS  11 -19.247  13.954  -3.754
   81    HZ3  LYS  11          3HZ       LYS  11 -19.044  14.326  -5.348
   82    H    HIS  12           H        HIS  12 -12.524  12.598  -6.484
   83    HA   HIS  12           HA       HIS  12 -13.277  10.266  -8.203
   84    HB2  HIS  12          1HB       HIS  12 -13.002  13.212  -8.904
   85    HB3  HIS  12          2HB       HIS  12 -13.397  11.932 -10.042
   86    HD1  HIS  12           HD1      HIS  12 -15.679  10.497  -9.280
   87    HD2  HIS  12           HD2      HIS  12 -15.311  14.409  -7.757
   88    HE1  HIS  12           HE1      HIS  12 -17.939  11.198  -8.669
   89    H    SER  13           H        SER  13 -10.632  12.061  -7.003
   90    HA   SER  13           HA       SER  13  -8.838  10.827  -9.019
   91    HB2  SER  13          1HB       SER  13  -7.706  12.916  -9.471
   92    HB3  SER  13          2HB       SER  13  -9.413  13.096  -9.845
   93    HG   SER  13           HG       SER  13  -7.877  14.268  -7.924
   94    H    CYS  14           H        CYS  14  -6.609  10.783  -8.401
   95    HA   CYS  14           HA       CYS  14  -6.243  11.035  -5.449
   96    HB2  CYS  14          1HB       CYS  14  -4.719   9.347  -7.472
   97    HB3  CYS  14          2HB       CYS  14  -4.341   9.451  -5.759
   98    H    SER  15           H        SER  15  -4.039  11.611  -4.728
   99    HA   SER  15           HA       SER  15  -2.447  13.204  -6.620
  100    HB2  SER  15          1HB       SER  15  -4.157  14.805  -5.899
  101    HB3  SER  15          2HB       SER  15  -3.812  14.452  -4.213
  102    HG   SER  15           HG       SER  15  -1.713  15.187  -4.554
  103    H    VAL  16           H        VAL  16  -0.358  13.608  -5.941
  104    HA   VAL  16           HA       VAL  16   0.399  12.269  -3.378
  105    HB   VAL  16           HB       VAL  16   2.451  11.475  -4.471
  106   HG11  VAL  16          1HG1      VAL  16   1.468   9.808  -5.969
  107   HG12  VAL  16          2HG1      VAL  16   0.509  10.018  -4.485
  108   HG13  VAL  16          3HG1      VAL  16  -0.046  10.742  -6.013
  109   HG21  VAL  16          1HG2      VAL  16   2.730  11.723  -6.917
  110   HG22  VAL  16          2HG2      VAL  16   1.256  12.718  -6.983
  111   HG23  VAL  16          3HG2      VAL  16   2.691  13.308  -6.110
  112    H    ASP  17           H        ASP  17   2.419  12.995  -2.433
  113    HA   ASP  17           HA       ASP  17   2.629  15.874  -2.440
  114    HB2  ASP  17          1HB       ASP  17   4.330  13.696  -1.171
  115    HB3  ASP  17          2HB       ASP  17   4.640  15.412  -0.946
  116    H    TRP  18           H        TRP  18   4.529  17.127  -2.881
  117    HA   TRP  18           HA       TRP  18   5.592  16.640  -5.478
  118    HB2  TRP  18          1HB       TRP  18   6.491  18.510  -3.254
  119    HB3  TRP  18          2HB       TRP  18   7.196  18.513  -4.864
  120    HD1  TRP  18           HD1      TRP  18   4.313  19.891  -2.908
  121    HE1  TRP  18           HE1      TRP  18   2.747  21.256  -4.446
  122    HE3  TRP  18           HE3      TRP  18   6.232  18.468  -7.446
  123    HZ2  TRP  18           HZ2      TRP  18   2.397  21.662  -7.218
  124    HZ3  TRP  18           HZ3      TRP  18   5.234  19.381  -9.504
  125    HH2  TRP  18           HH2      TRP  18   3.348  20.956  -9.399
  126    H    GLY  19           H        GLY  19   7.216  15.453  -6.184
  127    HA2  GLY  19          1HA       GLY  19   9.489  14.630  -6.039
  128    HA3  GLY  19          2HA       GLY  19   9.386  14.684  -4.289
  129    H    LYS  20           H        LYS  20   6.474  13.526  -4.925
  130    HA   LYS  20           HA       LYS  20   7.363  10.712  -4.682
  131    HB2  LYS  20          1HB       LYS  20   4.586  11.924  -4.376
  132    HB3  LYS  20          2HB       LYS  20   5.033  10.262  -4.015
  133    HG2  LYS  20          1HG       LYS  20   6.114  12.713  -2.591
  134    HG3  LYS  20          2HG       LYS  20   4.839  11.643  -1.992
  135    HD2  LYS  20          1HD       LYS  20   6.441   9.736  -2.049
  136    HD3  LYS  20          2HD       LYS  20   7.713  10.845  -2.582
  137    HE2  LYS  20          1HE       LYS  20   7.393  12.174  -0.497
  138    HE3  LYS  20          2HE       LYS  20   6.182  11.007   0.040
  139    HZ1  LYS  20          1HZ       LYS  20   8.325  10.551   0.982
  140    HZ2  LYS  20          2HZ       LYS  20   7.879   9.311  -0.009
  141    HZ3  LYS  20          3HZ       LYS  20   9.010  10.401  -0.510
  142    H    ALA  21           H        ALA  21   6.459   9.018  -5.912
  143    HA   ALA  21           HA       ALA  21   6.255   9.697  -8.716
  144    HB1  ALA  21          1HB       ALA  21   5.952   7.263  -9.038
  145    HB2  ALA  21          2HB       ALA  21   7.333   7.621  -7.974
  146    HB3  ALA  21          3HB       ALA  21   5.796   7.058  -7.278
  147    H    THR  22           H        THR  22   4.544   9.396 -10.140
  148    HA   THR  22           HA       THR  22   1.878   9.606  -8.827
  149    HB   THR  22           HB       THR  22   1.107  10.547 -10.999
  150    HG1  THR  22           HG1      THR  22   2.753  11.025 -12.562
  151   HG21  THR  22          1HG2      THR  22   2.346  12.672 -10.867
  152   HG22  THR  22          2HG2      THR  22   1.962  12.058  -9.241
  153   HG23  THR  22          3HG2      THR  22   3.607  11.882  -9.894
  154    H    THR  23           H        THR  23   3.516   7.115  -9.478
  155    HA   THR  23           HA       THR  23   2.308   5.749 -11.657
  156    HB   THR  23           HB       THR  23   3.504   4.623  -9.088
  157    HG1  THR  23           HG1      THR  23   5.233   4.231 -10.789
  158   HG21  THR  23          1HG2      THR  23   3.765   2.542 -10.382
  159   HG22  THR  23          2HG2      THR  23   2.048   2.986 -10.232
  160   HG23  THR  23          3HG2      THR  23   2.915   3.285 -11.756
  161    H    CYS  24           H        CYS  24   1.411   5.929  -8.219
  162    HA   CYS  24           HA       CYS  24  -0.754   4.080  -8.352
  163    HB2  CYS  24          1HB       CYS  24  -0.205   6.446  -6.530
  164    HB3  CYS  24          2HB       CYS  24  -1.601   5.398  -6.325
  165    H    ILE  25           H        ILE  25  -0.576   7.590  -8.899
  166    HA   ILE  25           HA       ILE  25  -3.368   8.027  -9.253
  167    HB   ILE  25           HB       ILE  25  -0.939   9.483 -10.366
  168   HG12  ILE  25          1HG1      ILE  25  -2.868  10.298  -8.186
  169   HG13  ILE  25          2HG1      ILE  25  -1.361   9.449  -7.880
  170   HG21  ILE  25          1HG2      ILE  25  -2.490  11.307 -10.939
  171   HG22  ILE  25          2HG2      ILE  25  -2.870   9.833 -11.859
  172   HG23  ILE  25          3HG2      ILE  25  -3.870  10.290 -10.460
  173   HD11  ILE  25          1HD1      ILE  25  -1.102  11.842  -7.542
  174   HD12  ILE  25          2HD1      ILE  25  -0.099  11.290  -8.905
  175   HD13  ILE  25          3HD1      ILE  25  -1.625  12.152  -9.214
  176    H    ILE  26           H        ILE  26  -0.794   7.215 -11.584
  177    HA   ILE  26           HA       ILE  26  -2.467   7.287 -13.897
  178    HB   ILE  26           HB       ILE  26   0.133   5.815 -13.318
  179   HG12  ILE  26          1HG1      ILE  26  -0.384   8.227 -15.063
  180   HG13  ILE  26          2HG1      ILE  26   0.079   8.341 -13.372
  181   HG21  ILE  26          1HG2      ILE  26   0.282   5.438 -15.746
  182   HG22  ILE  26          2HG2      ILE  26  -1.129   4.604 -15.055
  183   HG23  ILE  26          3HG2      ILE  26  -1.347   6.123 -15.956
  184   HD11  ILE  26          1HD1      ILE  26   2.008   8.597 -14.829
  185   HD12  ILE  26          2HD1      ILE  26   2.158   7.120 -13.846
  186   HD13  ILE  26          3HD1      ILE  26   1.690   7.007 -15.560
  187    H    ASN  27           H        ASN  27  -1.494   4.605 -11.753
  188    HA   ASN  27           HA       ASN  27  -2.825   2.575 -13.274
  189    HB2  ASN  27          1HB       ASN  27  -1.888   2.723 -10.400
  190    HB3  ASN  27          2HB       ASN  27  -2.683   1.297 -11.053
  191   HD21  ASN  27          1HD2      ASN  27   0.980   0.872 -11.347
  192   HD22  ASN  27          2HD2      ASN  27  -0.140   1.156 -10.057
  193    H    ASN  28           H        ASN  28  -3.839   4.485 -10.447
  194    HA   ASN  28           HA       ASN  28  -6.378   3.177 -10.164
  195    HB2  ASN  28          1HB       ASN  28  -5.337   5.876  -9.268
  196    HB3  ASN  28          2HB       ASN  28  -6.970   5.330  -8.913
  197   HD21  ASN  28          1HD2      ASN  28  -4.721   4.493  -6.078
  198   HD22  ASN  28          2HD2      ASN  28  -5.136   5.942  -6.932
  199    H    GLY  29           H        GLY  29  -5.313   6.004 -12.014
  200    HA2  GLY  29          1HA       GLY  29  -7.871   6.833 -12.959
  201    HA3  GLY  29          2HA       GLY  29  -6.341   7.124 -13.765
  202    H    ALA  30           H        ALA  30  -5.451   4.580 -14.341
  203    HA   ALA  30           HA       ALA  30  -6.939   3.920 -16.670
  204    HB1  ALA  30          1HB       ALA  30  -5.476   1.929 -16.790
  205    HB2  ALA  30          2HB       ALA  30  -4.552   3.406 -16.429
  206    HB3  ALA  30          3HB       ALA  30  -4.921   2.248 -15.130
  207    H    LEU  31           H        LEU  31  -6.865   2.442 -13.436
  208    HA   LEU  31           HA       LEU  31  -8.651   0.295 -14.050
  209    HB2  LEU  31          1HB       LEU  31  -7.994   1.724 -11.455
  210    HB3  LEU  31          2HB       LEU  31  -9.050   0.310 -11.540
  211    HG   LEU  31           HG       LEU  31  -6.146   0.327 -12.433
  212   HD11  LEU  31          1HD1      LEU  31  -5.714  -0.874 -10.337
  213   HD12  LEU  31          2HD1      LEU  31  -6.332   0.767 -10.039
  214   HD13  LEU  31          3HD1      LEU  31  -7.409  -0.637  -9.852
  215   HD21  LEU  31          1HD2      LEU  31  -6.448  -2.125 -12.386
  216   HD22  LEU  31          2HD2      LEU  31  -8.155  -1.907 -11.929
  217   HD23  LEU  31          3HD2      LEU  31  -7.584  -1.363 -13.525
  218    H    ALA  32           H        ALA  32  -9.182   3.602 -12.857
  219    HA   ALA  32           HA       ALA  32 -11.996   3.363 -12.482
  220    HB1  ALA  32          1HB       ALA  32 -12.011   5.833 -12.620
  221    HB2  ALA  32          2HB       ALA  32 -10.695   5.238 -11.579
  222    HB3  ALA  32          3HB       ALA  32 -10.340   5.800 -13.229
  223    H    TRP  33           H        TRP  33 -10.047   4.233 -15.319
  224    HA   TRP  33           HA       TRP  33 -12.300   4.875 -16.989
  225    HB2  TRP  33          1HB       TRP  33  -9.471   4.008 -17.705
  226    HB3  TRP  33          2HB       TRP  33 -10.649   4.614 -18.860
  227    HD1  TRP  33           HD1      TRP  33 -11.703   6.952 -16.682
  228    HE1  TRP  33           HE1      TRP  33 -10.257   9.087 -16.486
  229    HE3  TRP  33           HE3      TRP  33  -7.324   5.119 -18.624
  230    HZ2  TRP  33           HZ2      TRP  33  -7.608   9.863 -17.081
  231    HZ3  TRP  33           HZ3      TRP  33  -5.371   6.611 -18.785
  232    HH2  TRP  33           HH2      TRP  33  -5.503   8.946 -18.024
  233    H    ALA  34           H        ALA  34 -10.462   1.908 -16.363
  234    HA   ALA  34           HA       ALA  34 -11.688   0.414 -18.500
  235    HB1  ALA  34          1HB       ALA  34 -10.689  -1.554 -17.384
  236    HB2  ALA  34          2HB       ALA  34  -9.517  -0.225 -17.552
  237    HB3  ALA  34          3HB       ALA  34 -10.284  -0.542 -15.979
  238    H    THR  35           H        THR  35 -12.393   0.818 -15.049
  239    HA   THR  35           HA       THR  35 -14.569  -1.184 -15.271
  240    HB   THR  35           HB       THR  35 -14.685  -1.045 -12.809
  241    HG1  THR  35           HG1      THR  35 -12.479   0.750 -12.933
  242   HG21  THR  35          1HG2      THR  35 -12.442  -1.927 -12.297
  243   HG22  THR  35          2HG2      THR  35 -13.047  -2.583 -13.836
  244   HG23  THR  35          3HG2      THR  35 -11.832  -1.284 -13.839
  245    H    GLY  36           H        GLY  36 -14.066   2.200 -15.303
  246    HA2  GLY  36          1HA       GLY  36 -15.662   3.896 -15.602
  247    HA3  GLY  36          2HA       GLY  36 -16.945   2.721 -15.382
  248    H    GLY  37           H        GLY  37 -14.261   3.121 -13.120
  249    HA2  GLY  37          1HA       GLY  37 -16.269   3.820 -11.021
  250    HA3  GLY  37          2HA       GLY  37 -14.751   2.991 -10.737
  251    H    HIS  38           H        HIS  38 -14.124   4.500  -9.151
  252    HA   HIS  38           HA       HIS  38 -13.164   7.099 -10.272
  253    HB2  HIS  38          1HB       HIS  38 -14.534   6.782  -7.577
  254    HB3  HIS  38          2HB       HIS  38 -13.854   8.264  -8.234
  255    HD2  HIS  38           HD2      HIS  38 -17.117   6.202  -8.401
  256    HE1  HIS  38           HE1      HIS  38 -17.496   9.452 -11.132
  257    HE2  HIS  38           HE2      HIS  38 -18.716   7.549  -9.952
  258    H    GLN  39           H        GLN  39 -11.350   7.993  -9.278
  259    HA   GLN  39           HA       GLN  39  -9.448   5.967  -8.544
  260    HB2  GLN  39          1HB       GLN  39  -9.278   9.005  -8.514
  261    HB3  GLN  39          2HB       GLN  39  -7.913   7.947  -8.183
  262    HG2  GLN  39          1HG       GLN  39  -8.093   6.982 -10.426
  263    HG3  GLN  39          2HG       GLN  39  -9.490   8.043 -10.764
  264   HE21  GLN  39          1HE2      GLN  39  -7.144  10.162 -12.283
  265   HE22  GLN  39          2HE2      GLN  39  -8.428   9.024 -12.517
  266    H    GLY  40           H        GLY  40 -11.560   8.033  -6.728
  267    HA2  GLY  40          1HA       GLY  40 -10.144   7.916  -4.213
  268    HA3  GLY  40          2HA       GLY  40 -11.832   8.333  -4.437
  269    H    ASN  41           H        ASN  41 -12.075   5.674  -6.011
  270    HA   ASN  41           HA       ASN  41 -12.683   4.048  -3.613
  271    HB2  ASN  41          1HB       ASN  41 -13.415   3.738  -6.541
  272    HB3  ASN  41          2HB       ASN  41 -13.833   2.564  -5.300
  273   HD21  ASN  41          1HD2      ASN  41 -16.569   5.098  -5.919
  274   HD22  ASN  41          2HD2      ASN  41 -15.571   4.173  -6.990
  275    H    HIS  42           H        HIS  42 -10.461   4.179  -6.290
  276    HA   HIS  42           HA       HIS  42  -9.525   1.421  -5.910
  277    HB2  HIS  42          1HB       HIS  42  -8.370   3.722  -7.529
  278    HB3  HIS  42          2HB       HIS  42  -7.775   2.068  -7.550
  279    HD1  HIS  42           HD1      HIS  42 -10.011   0.290  -8.056
  280    HD2  HIS  42           HD2      HIS  42 -10.086   4.156  -9.733
  281    HE1  HIS  42           HE1      HIS  42 -11.507   0.160  -9.984
  282    H    LYS  43           H        LYS  43  -7.438   0.816  -5.237
  283    HA   LYS  43           HA       LYS  43  -6.265   2.754  -3.285
  284    HB2  LYS  43          1HB       LYS  43  -6.630  -0.253  -2.985
  285    HB3  LYS  43          2HB       LYS  43  -5.715   0.755  -1.872
  286    HG2  LYS  43          1HG       LYS  43  -7.773   2.042  -1.364
  287    HG3  LYS  43          2HG       LYS  43  -8.683   0.983  -2.450
  288    HD2  LYS  43          1HD       LYS  43  -8.055  -0.973  -1.065
  289    HD3  LYS  43          2HD       LYS  43  -7.155   0.092   0.025
  290    HE2  LYS  43          1HE       LYS  43  -9.237   1.316   0.553
  291    HE3  LYS  43          2HE       LYS  43 -10.139   0.262  -0.540
  292    HZ1  LYS  43          1HZ       LYS  43 -10.333  -0.447   1.729
  293    HZ2  LYS  43          2HZ       LYS  43  -9.540  -1.598   0.852
  294    HZ3  LYS  43          3HZ       LYS  43  -8.699  -0.613   1.874
  295    H    CYS  44           H        CYS  44  -4.021   2.461  -2.767
  296    HA   CYS  44           HA       CYS  44  -2.391   0.744  -4.465
  297    HB2  CYS  44          1HB       CYS  44  -2.908   2.625  -6.020
  298    HB3  CYS  44          2HB       CYS  44  -2.227   3.757  -4.860
  Start of MODEL    2
    1    H1   LYS   1          1H        LYS   1   0.676   0.179  -1.655
    2    H2   LYS   1          2H        LYS   1   0.293   0.596  -0.124
    3    H3   LYS   1          3H        LYS   1  -0.559   1.208  -1.374
    4    HA   LYS   1           HA       LYS   1   2.245   1.722  -0.782
    5    HB2  LYS   1          1HB       LYS   1   1.781   1.696  -3.208
    6    HB3  LYS   1          2HB       LYS   1   0.444   2.813  -2.982
    7    HG2  LYS   1          1HG       LYS   1   2.326   4.039  -3.809
    8    HG3  LYS   1          2HG       LYS   1   2.064   4.514  -2.125
    9    HD2  LYS   1          1HD       LYS   1   3.866   3.021  -1.392
   10    HD3  LYS   1          2HD       LYS   1   4.096   2.450  -3.051
   11    HE2  LYS   1          1HE       LYS   1   4.731   4.721  -3.761
   12    HE3  LYS   1          2HE       LYS   1   4.461   5.322  -2.123
   13    HZ1  LYS   1          1HZ       LYS   1   6.770   4.884  -2.534
   14    HZ2  LYS   1          2HZ       LYS   1   6.211   3.866  -1.364
   15    HZ3  LYS   1          3HZ       LYS   1   6.463   3.305  -2.894
   16    H    TYR   2           H        TYR   2  -1.021   3.146  -1.136
   17    HA   TYR   2           HA       TYR   2  -0.234   5.109   0.979
   18    HB2  TYR   2          1HB       TYR   2  -2.188   5.487  -1.329
   19    HB3  TYR   2          2HB       TYR   2  -1.877   6.663  -0.060
   20    HD1  TYR   2           HD1      TYR   2  -1.095   5.761  -3.329
   21    HD2  TYR   2           HD2      TYR   2   0.737   7.218   0.267
   22    HE1  TYR   2           HE1      TYR   2   0.763   6.705  -4.657
   23    HE2  TYR   2           HE2      TYR   2   2.595   8.162  -1.061
   24    HH   TYR   2           HH       TYR   2   2.505   8.252  -4.545
   25    H    TYR   3           H        TYR   3  -2.607   2.819  -0.178
   26    HA   TYR   3           HA       TYR   3  -4.788   3.416   1.485
   27    HB2  TYR   3          1HB       TYR   3  -4.949   1.690  -0.212
   28    HB3  TYR   3          2HB       TYR   3  -3.695   0.732   0.563
   29    HD1  TYR   3           HD1      TYR   3  -7.157   2.019   0.975
   30    HD2  TYR   3           HD2      TYR   3  -4.199  -0.804   2.277
   31    HE1  TYR   3           HE1      TYR   3  -8.880   0.811   2.273
   32    HE2  TYR   3           HE2      TYR   3  -5.922  -2.012   3.574
   33    HH   TYR   3           HH       TYR   3  -8.054  -2.099   4.165
   34    H    GLY   4           H        GLY   4  -1.841   1.570   2.245
   35    HA2  GLY   4          1HA       GLY   4  -2.847   0.701   4.830
   36    HA3  GLY   4          2HA       GLY   4  -1.220   0.482   4.215
   37    H    ASN   5           H        ASN   5  -1.645   3.640   3.687
   38    HA   ASN   5           HA       ASN   5  -0.527   4.391   6.342
   39    HB2  ASN   5          1HB       ASN   5  -0.439   5.762   3.638
   40    HB3  ASN   5          2HB       ASN   5   0.148   6.499   5.122
   41   HD21  ASN   5          1HD2      ASN   5   2.732   4.494   3.086
   42   HD22  ASN   5          2HD2      ASN   5   1.396   5.449   2.535
   43    H    GLY   6           H        GLY   6  -3.465   4.197   5.022
   44    HA2  GLY   6          1HA       GLY   6  -5.478   5.114   5.793
   45    HA3  GLY   6          2HA       GLY   6  -4.574   6.205   6.825
   46    H    VAL   7           H        VAL   7  -3.811   5.957   3.416
   47    HA   VAL   7           HA       VAL   7  -4.807   8.750   3.082
   48    HB   VAL   7           HB       VAL   7  -2.637   7.232   1.571
   49   HG11  VAL   7          1HG1      VAL   7  -2.164   9.371   0.480
   50   HG12  VAL   7          2HG1      VAL   7  -3.802   8.780   0.108
   51   HG13  VAL   7          3HG1      VAL   7  -3.576  10.094   1.288
   52   HG21  VAL   7          1HG2      VAL   7  -1.120   8.850   2.670
   53   HG22  VAL   7          2HG2      VAL   7  -2.503   9.549   3.545
   54   HG23  VAL   7          3HG2      VAL   7  -1.999   7.874   3.871
   55    H    THR   8           H        THR   8  -6.351   9.198   1.658
   56    HA   THR   8           HA       THR   8  -7.317   6.932  -0.025
   57    HB   THR   8           HB       THR   8  -9.516   7.994   0.023
   58    HG1  THR   8           HG1      THR   8  -9.752  10.024   0.611
   59   HG21  THR   8          1HG2      THR   8 -10.001   7.852   2.434
   60   HG22  THR   8          2HG2      THR   8  -8.918   6.535   1.926
   61   HG23  THR   8          3HG2      THR   8  -8.262   7.941   2.794
   62    H    CYS   9           H        CYS   9  -8.558   7.678  -2.015
   63    HA   CYS   9           HA       CYS   9  -6.953   9.808  -3.364
   64    HB2  CYS   9          1HB       CYS   9  -8.302   7.343  -4.530
   65    HB3  CYS   9          2HB       CYS   9  -7.566   8.615  -5.493
   66    H    GLY  10           H        GLY  10  -8.065  10.987  -5.096
   67    HA2  GLY  10          1HA       GLY  10 -10.854  11.622  -4.285
   68    HA3  GLY  10          2HA       GLY  10  -9.805  12.637  -5.256
   69    H    LYS  11           H        LYS  11 -10.927  12.903  -7.111
   70    HA   LYS  11           HA       LYS  11 -12.256  10.557  -8.336
   71    HB2  LYS  11          1HB       LYS  11 -13.518  12.691  -8.105
   72    HB3  LYS  11          2HB       LYS  11 -12.328  13.499  -9.116
   73    HG2  LYS  11          1HG       LYS  11 -12.938  12.092 -11.020
   74    HG3  LYS  11          2HG       LYS  11 -14.077  11.189 -10.012
   75    HD2  LYS  11          1HD       LYS  11 -15.356  13.279  -9.605
   76    HD3  LYS  11          2HD       LYS  11 -14.227  14.161 -10.643
   77    HE2  LYS  11          1HE       LYS  11 -14.842  12.691 -12.546
   78    HE3  LYS  11          2HE       LYS  11 -15.989  11.839 -11.509
   79    HZ1  LYS  11          1HZ       LYS  11 -17.064  13.513 -12.824
   80    HZ2  LYS  11          2HZ       LYS  11 -17.179  13.904 -11.225
   81    HZ3  LYS  11          3HZ       LYS  11 -16.107  14.699 -12.195
   82    H    HIS  12           H        HIS  12 -10.131  13.232  -9.426
   83    HA   HIS  12           HA       HIS  12  -9.234  11.451 -11.656
   84    HB2  HIS  12          1HB       HIS  12  -9.138  14.478 -11.388
   85    HB3  HIS  12          2HB       HIS  12  -8.485  13.565 -12.741
   86    HD1  HIS  12           HD1      HIS  12 -10.425  11.934 -13.949
   87    HD2  HIS  12           HD2      HIS  12 -11.828  15.286 -11.814
   88    HE1  HIS  12           HE1      HIS  12 -12.654  12.407 -14.828
   89    H    SER  13           H        SER  13  -8.303  12.264  -8.640
   90    HA   SER  13           HA       SER  13  -5.570  11.440  -9.154
   91    HB2  SER  13          1HB       SER  13  -4.430  13.416  -8.395
   92    HB3  SER  13          2HB       SER  13  -5.473  13.867  -9.734
   93    HG   SER  13           HG       SER  13  -5.573  14.533  -7.089
   94    H    CYS  14           H        CYS  14  -4.289  11.291  -7.148
   95    HA   CYS  14           HA       CYS  14  -6.087  10.635  -4.880
   96    HB2  CYS  14          1HB       CYS  14  -3.181   9.922  -5.433
   97    HB3  CYS  14          2HB       CYS  14  -4.044   9.477  -3.968
   98    H    SER  15           H        SER  15  -5.563  11.245  -2.726
   99    HA   SER  15           HA       SER  15  -4.384  13.953  -2.620
  100    HB2  SER  15          1HB       SER  15  -6.572  13.573  -1.574
  101    HB3  SER  15          2HB       SER  15  -5.889  12.319  -0.551
  102    HG   SER  15           HG       SER  15  -4.330  14.288  -0.180
  103    H    VAL  16           H        VAL  16  -2.186  13.576  -2.783
  104    HA   VAL  16           HA       VAL  16  -0.994  12.227  -0.400
  105    HB   VAL  16           HB       VAL  16   0.819  11.372  -1.836
  106   HG11  VAL  16          1HG1      VAL  16  -0.445   9.653  -3.033
  107   HG12  VAL  16          2HG1      VAL  16  -1.089   9.938  -1.398
  108   HG13  VAL  16          3HG1      VAL  16  -1.936  10.600  -2.817
  109   HG21  VAL  16          1HG2      VAL  16   0.608  11.511  -4.298
  110   HG22  VAL  16          2HG2      VAL  16  -0.848  12.518  -4.114
  111   HG23  VAL  16          3HG2      VAL  16   0.733  13.130  -3.571
  112    H    ASP  17           H        ASP  17   1.223  12.910   0.074
  113    HA   ASP  17           HA       ASP  17   1.430  15.796  -0.016
  114    HB2  ASP  17          1HB       ASP  17   3.325  13.630   0.968
  115    HB3  ASP  17          2HB       ASP  17   3.674  15.348   1.100
  116    H    TRP  18           H        TRP  18   3.172  17.039  -0.863
  117    HA   TRP  18           HA       TRP  18   3.887  16.379  -3.553
  118    HB2  TRP  18          1HB       TRP  18   4.981  18.454  -1.615
  119    HB3  TRP  18          2HB       TRP  18   5.482  18.343  -3.297
  120    HD1  TRP  18           HD1      TRP  18   2.805  19.787  -1.106
  121    HE1  TRP  18           HE1      TRP  18   1.010  20.976  -2.539
  122    HE3  TRP  18           HE3      TRP  18   4.215  18.063  -5.726
  123    HZ2  TRP  18           HZ2      TRP  18   0.310  21.145  -5.269
  124    HZ3  TRP  18           HZ3      TRP  18   2.939  18.775  -7.709
  125    HH2  TRP  18           HH2      TRP  18   1.017  20.294  -7.491
  126    H    GLY  19           H        GLY  19   5.479  15.221  -4.380
  127    HA2  GLY  19          1HA       GLY  19   7.831  14.544  -4.400
  128    HA3  GLY  19          2HA       GLY  19   7.826  14.568  -2.646
  129    H    LYS  20           H        LYS  20   4.921  13.319  -3.150
  130    HA   LYS  20           HA       LYS  20   5.824  10.551  -2.859
  131    HB2  LYS  20          1HB       LYS  20   3.020  11.729  -3.009
  132    HB3  LYS  20          2HB       LYS  20   3.398  10.059  -2.611
  133    HG2  LYS  20          1HG       LYS  20   4.291  12.463  -0.992
  134    HG3  LYS  20          2HG       LYS  20   2.890  11.446  -0.628
  135    HD2  LYS  20          1HD       LYS  20   4.415   9.467  -0.472
  136    HD3  LYS  20          2HD       LYS  20   5.792  10.548  -0.724
  137    HE2  LYS  20          1HE       LYS  20   5.126  11.828   1.309
  138    HE3  LYS  20          2HE       LYS  20   3.807  10.685   1.575
  139    HZ1  LYS  20          1HZ       LYS  20   5.727  10.136   2.879
  140    HZ2  LYS  20          2HZ       LYS  20   5.441   8.939   1.781
  141    HZ3  LYS  20          3HZ       LYS  20   6.672  10.007   1.534
  142    H    ALA  21           H        ALA  21   5.053   8.782  -4.137
  143    HA   ALA  21           HA       ALA  21   5.550   9.288  -6.919
  144    HB1  ALA  21          1HB       ALA  21   5.099   6.873  -7.205
  145    HB2  ALA  21          2HB       ALA  21   6.199   7.182  -5.840
  146    HB3  ALA  21          3HB       ALA  21   4.489   6.798  -5.536
  147    H    THR  22           H        THR  22   4.247   9.266  -8.689
  148    HA   THR  22           HA       THR  22   1.326   9.476  -8.102
  149    HB   THR  22           HB       THR  22   1.171  10.827 -10.185
  150    HG1  THR  22           HG1      THR  22   3.787  11.404 -10.470
  151   HG21  THR  22          1HG2      THR  22   2.324  12.833  -9.339
  152   HG22  THR  22          2HG2      THR  22   1.518  11.958  -8.017
  153   HG23  THR  22          3HG2      THR  22   3.279  11.822  -8.230
  154    H    THR  23           H        THR  23   3.338   7.188  -8.968
  155    HA   THR  23           HA       THR  23   2.273   6.260 -11.482
  156    HB   THR  23           HB       THR  23   3.382   4.116 -10.917
  157    HG1  THR  23           HG1      THR  23   3.299   3.760  -8.808
  158   HG21  THR  23          1HG2      THR  23   5.678   4.980 -10.703
  159   HG22  THR  23          2HG2      THR  23   4.731   5.968 -11.840
  160   HG23  THR  23          3HG2      THR  23   5.041   6.559 -10.191
  161    H    CYS  24           H        CYS  24   1.325   5.880  -8.118
  162    HA   CYS  24           HA       CYS  24  -0.683   3.888  -8.528
  163    HB2  CYS  24          1HB       CYS  24  -0.404   6.138  -6.511
  164    HB3  CYS  24          2HB       CYS  24  -1.757   5.016  -6.486
  165    H    ILE  25           H        ILE  25  -0.753   7.447  -8.730
  166    HA   ILE  25           HA       ILE  25  -3.535   7.704  -9.254
  167    HB   ILE  25           HB       ILE  25  -1.164   9.447 -10.033
  168   HG12  ILE  25          1HG1      ILE  25  -3.303   9.877  -7.939
  169   HG13  ILE  25          2HG1      ILE  25  -1.748   9.130  -7.604
  170   HG21  ILE  25          1HG2      ILE  25  -2.816  11.199 -10.547
  171   HG22  ILE  25          2HG2      ILE  25  -3.007   9.803 -11.632
  172   HG23  ILE  25          3HG2      ILE  25  -4.137  10.038 -10.279
  173   HD11  ILE  25          1HD1      ILE  25  -1.733  11.490  -7.018
  174   HD12  ILE  25          2HD1      ILE  25  -0.595  11.168  -8.348
  175   HD13  ILE  25          3HD1      ILE  25  -2.170  11.925  -8.687
  176    H    ILE  26           H        ILE  26  -0.761   7.279 -11.449
  177    HA   ILE  26           HA       ILE  26  -2.224   7.445 -13.881
  178    HB   ILE  26           HB       ILE  26   0.335   5.965 -13.161
  179   HG12  ILE  26          1HG1      ILE  26  -0.062   8.472 -14.802
  180   HG13  ILE  26          2HG1      ILE  26   0.245   8.489 -13.072
  181   HG21  ILE  26          1HG2      ILE  26   0.705   5.737 -15.584
  182   HG22  ILE  26          2HG2      ILE  26  -0.749   4.848 -15.074
  183   HG23  ILE  26          3HG2      ILE  26  -0.909   6.416 -15.899
  184   HD11  ILE  26          1HD1      ILE  26   2.294   8.852 -14.329
  185   HD12  ILE  26          2HD1      ILE  26   2.378   7.321 -13.424
  186   HD13  ILE  26          3HD1      ILE  26   2.069   7.305 -15.177
  187    H    ASN  27           H        ASN  27  -1.337   4.607 -11.894
  188    HA   ASN  27           HA       ASN  27  -2.635   2.708 -13.607
  189    HB2  ASN  27          1HB       ASN  27  -1.790   2.623 -10.700
  190    HB3  ASN  27          2HB       ASN  27  -2.556   1.256 -11.498
  191   HD21  ASN  27          1HD2      ASN  27   1.156   0.958 -11.675
  192   HD22  ASN  27          2HD2      ASN  27   0.015   1.194 -10.394
  193    H    ASN  28           H        ASN  28  -3.737   4.557 -10.794
  194    HA   ASN  28           HA       ASN  28  -6.258   3.187 -10.564
  195    HB2  ASN  28          1HB       ASN  28  -5.281   5.885  -9.595
  196    HB3  ASN  28          2HB       ASN  28  -6.902   5.289  -9.267
  197   HD21  ASN  28          1HD2      ASN  28  -4.667   4.445  -6.426
  198   HD22  ASN  28          2HD2      ASN  28  -5.120   5.901  -7.248
  199    H    GLY  29           H        GLY  29  -5.162   5.989 -12.408
  200    HA2  GLY  29          1HA       GLY  29  -7.679   6.862 -13.398
  201    HA3  GLY  29          2HA       GLY  29  -6.142   7.050 -14.222
  202    H    ALA  30           H        ALA  30  -5.379   4.419 -14.652
  203    HA   ALA  30           HA       ALA  30  -6.960   3.647 -16.896
  204    HB1  ALA  30          1HB       ALA  30  -5.573   1.598 -16.897
  205    HB2  ALA  30          2HB       ALA  30  -4.585   3.064 -16.688
  206    HB3  ALA  30          3HB       ALA  30  -4.949   2.030 -15.287
  207    H    LEU  31           H        LEU  31  -6.843   2.459 -13.548
  208    HA   LEU  31           HA       LEU  31  -8.701   0.318 -13.921
  209    HB2  LEU  31          1HB       LEU  31  -7.945   1.963 -11.485
  210    HB3  LEU  31          2HB       LEU  31  -9.039   0.578 -11.415
  211    HG   LEU  31           HG       LEU  31  -6.155   0.435 -12.360
  212   HD11  LEU  31          1HD1      LEU  31  -5.715  -0.591 -10.175
  213   HD12  LEU  31          2HD1      LEU  31  -6.286   1.086 -10.010
  214   HD13  LEU  31          3HD1      LEU  31  -7.394  -0.268  -9.684
  215   HD21  LEU  31          1HD2      LEU  31  -6.517  -1.995 -12.094
  216   HD22  LEU  31          2HD2      LEU  31  -8.209  -1.692 -11.631
  217   HD23  LEU  31          3HD2      LEU  31  -7.654  -1.304 -13.277
  218    H    ALA  32           H        ALA  32  -9.116   3.734 -13.021
  219    HA   ALA  32           HA       ALA  32 -11.915   3.611 -12.531
  220    HB1  ALA  32          1HB       ALA  32 -11.879   6.055 -12.913
  221    HB2  ALA  32          2HB       ALA  32 -10.534   5.530 -11.871
  222    HB3  ALA  32          3HB       ALA  32 -10.235   5.918 -13.581
  223    H    TRP  33           H        TRP  33 -10.078   4.232 -15.515
  224    HA   TRP  33           HA       TRP  33 -12.335   4.630 -17.209
  225    HB2  TRP  33          1HB       TRP  33 -10.072   5.192 -17.938
  226    HB3  TRP  33          2HB       TRP  33  -9.568   3.513 -17.809
  227    HD1  TRP  33           HD1      TRP  33 -11.711   5.838 -20.016
  228    HE1  TRP  33           HE1      TRP  33 -12.072   4.711 -22.315
  229    HE3  TRP  33           HE3      TRP  33  -9.642   1.259 -18.983
  230    HZ2  TRP  33           HZ2      TRP  33 -11.535   2.209 -23.508
  231    HZ3  TRP  33           HZ3      TRP  33  -9.600  -0.458 -20.748
  232    HH2  TRP  33           HH2      TRP  33 -10.527   0.005 -22.978
  233    H    ALA  34           H        ALA  34 -10.557   1.688 -16.274
  234    HA   ALA  34           HA       ALA  34 -11.932  -0.043 -18.084
  235    HB1  ALA  34          1HB       ALA  34 -11.028  -1.869 -16.681
  236    HB2  ALA  34          2HB       ALA  34  -9.788  -0.647 -17.052
  237    HB3  ALA  34          3HB       ALA  34 -10.556  -0.677 -15.448
  238    H    THR  35           H        THR  35 -12.599   0.964 -14.758
  239    HA   THR  35           HA       THR  35 -14.871  -0.925 -14.614
  240    HB   THR  35           HB       THR  35 -15.050  -0.197 -12.253
  241    HG1  THR  35           HG1      THR  35 -12.985   1.178 -11.731
  242   HG21  THR  35          1HG2      THR  35 -12.876  -1.056 -11.472
  243   HG22  THR  35          2HG2      THR  35 -13.489  -2.022 -12.837
  244   HG23  THR  35          3HG2      THR  35 -12.196  -0.828 -13.100
  245    H    GLY  36           H        GLY  36 -14.223   2.364 -15.350
  246    HA2  GLY  36          1HA       GLY  36 -15.733   3.941 -16.209
  247    HA3  GLY  36          2HA       GLY  36 -17.060   2.848 -15.860
  248    H    GLY  37           H        GLY  37 -14.615   3.840 -13.501
  249    HA2  GLY  37          1HA       GLY  37 -16.734   5.390 -12.049
  250    HA3  GLY  37          2HA       GLY  37 -15.670   4.265 -11.224
  251    H    HIS  38           H        HIS  38 -14.397   5.498  -9.965
  252    HA   HIS  38           HA       HIS  38 -12.555   7.381 -11.328
  253    HB2  HIS  38          1HB       HIS  38 -12.904   9.148  -9.680
  254    HB3  HIS  38          2HB       HIS  38 -14.395   8.824 -10.553
  255    HD2  HIS  38           HD2      HIS  38 -16.531   7.967  -8.986
  256    HE1  HIS  38           HE1      HIS  38 -14.409   7.933  -5.290
  257    HE2  HIS  38           HE2      HIS  38 -16.695   7.729  -6.399
  258    H    GLN  39           H        GLN  39 -10.999   8.300  -9.503
  259    HA   GLN  39           HA       GLN  39  -9.539   5.863  -8.960
  260    HB2  GLN  39          1HB       GLN  39  -8.915   8.780  -8.356
  261    HB3  GLN  39          2HB       GLN  39  -7.793   7.458  -8.068
  262    HG2  GLN  39          1HG       GLN  39  -7.870   6.906 -10.487
  263    HG3  GLN  39          2HG       GLN  39  -8.907   8.338 -10.737
  264   HE21  GLN  39          1HE2      GLN  39  -5.764   9.777 -11.583
  265   HE22  GLN  39          2HE2      GLN  39  -7.131   8.935 -12.233
  266    H    GLY  40           H        GLY  40 -11.706   7.794  -7.142
  267    HA2  GLY  40          1HA       GLY  40 -10.644   7.335  -4.505
  268    HA3  GLY  40          2HA       GLY  40 -12.284   7.821  -4.891
  269    H    ASN  41           H        ASN  41 -12.291   5.333  -6.778
  270    HA   ASN  41           HA       ASN  41 -13.123   3.423  -4.662
  271    HB2  ASN  41          1HB       ASN  41 -13.632   3.494  -7.652
  272    HB3  ASN  41          2HB       ASN  41 -14.137   2.177  -6.602
  273   HD21  ASN  41          1HD2      ASN  41 -16.767   4.891  -7.121
  274   HD22  ASN  41          2HD2      ASN  41 -15.645   4.173  -8.228
  275    H    HIS  42           H        HIS  42 -10.328   4.132  -6.047
  276    HA   HIS  42           HA       HIS  42  -9.452   1.276  -6.077
  277    HB2  HIS  42          1HB       HIS  42  -8.670   3.370  -8.138
  278    HB3  HIS  42          2HB       HIS  42  -7.980   1.759  -8.006
  279    HD1  HIS  42           HD1      HIS  42  -9.913  -0.253  -8.202
  280    HD2  HIS  42           HD2      HIS  42 -10.894   3.475  -9.907
  281    HE1  HIS  42           HE1      HIS  42 -11.668  -0.702  -9.841
  282    H    LYS  43           H        LYS  43  -8.955   2.113  -3.836
  283    HA   LYS  43           HA       LYS  43  -6.797   3.990  -3.507
  284    HB2  LYS  43          1HB       LYS  43  -7.853   1.810  -1.663
  285    HB3  LYS  43          2HB       LYS  43  -6.665   3.017  -1.191
  286    HG2  LYS  43          1HG       LYS  43  -8.292   4.810  -1.579
  287    HG3  LYS  43          2HG       LYS  43  -9.488   3.622  -2.117
  288    HD2  LYS  43          1HD       LYS  43  -9.313   2.511   0.131
  289    HD3  LYS  43          2HD       LYS  43  -8.245   3.823   0.650
  290    HE2  LYS  43          1HE       LYS  43 -10.020   5.467   0.237
  291    HE3  LYS  43          2HE       LYS  43 -11.086   4.196  -0.367
  292    HZ1  LYS  43          1HZ       LYS  43 -11.560   4.737   1.907
  293    HZ2  LYS  43          2HZ       LYS  43 -11.015   3.183   1.807
  294    HZ3  LYS  43          3HZ       LYS  43 -10.020   4.371   2.372
  295    H    CYS  44           H        CYS  44  -4.646   3.759  -3.445
  296    HA   CYS  44           HA       CYS  44  -3.692   1.317  -4.779
  297    HB2  CYS  44          1HB       CYS  44  -3.048   3.583  -5.604
  298    HB3  CYS  44          2HB       CYS  44  -2.212   3.886  -4.087
  Start of MODEL    3
    1    H1   LYS   1          1H        LYS   1   0.929  -3.316  -2.798
    2    H2   LYS   1          2H        LYS   1   0.998  -2.124  -1.685
    3    H3   LYS   1          3H        LYS   1   0.672  -1.766  -3.243
    4    HA   LYS   1           HA       LYS   1   3.171  -2.841  -2.206
    5    HB2  LYS   1          1HB       LYS   1   2.679  -3.674  -4.470
    6    HB3  LYS   1          2HB       LYS   1   2.361  -2.038  -5.029
    7    HG2  LYS   1          1HG       LYS   1   4.697  -1.417  -4.654
    8    HG3  LYS   1          2HG       LYS   1   5.037  -3.025  -3.998
    9    HD2  LYS   1          1HD       LYS   1   4.439  -4.049  -6.161
   10    HD3  LYS   1          2HD       LYS   1   4.058  -2.452  -6.821
   11    HE2  LYS   1          1HE       LYS   1   6.396  -1.741  -6.471
   12    HE3  LYS   1          2HE       LYS   1   6.783  -3.322  -5.788
   13    HZ1  LYS   1          1HZ       LYS   1   7.401  -3.179  -8.087
   14    HZ2  LYS   1          2HZ       LYS   1   6.214  -4.309  -7.900
   15    HZ3  LYS   1          3HZ       LYS   1   5.854  -2.831  -8.539
   16    H    TYR   2           H        TYR   2   1.536  -0.085  -3.800
   17    HA   TYR   2           HA       TYR   2   3.877   1.604  -3.163
   18    HB2  TYR   2          1HB       TYR   2   1.374   2.119  -4.818
   19    HB3  TYR   2          2HB       TYR   2   2.640   3.310  -4.553
   20    HD1  TYR   2           HD1      TYR   2   1.578   0.453  -6.471
   21    HD2  TYR   2           HD2      TYR   2   4.980   2.824  -5.373
   22    HE1  TYR   2           HE1      TYR   2   2.827  -0.443  -8.406
   23    HE2  TYR   2           HE2      TYR   2   6.230   1.928  -7.309
   24    HH   TYR   2           HH       TYR   2   6.148   0.641  -9.115
   25    H    TYR   3           H        TYR   3   0.494   1.202  -2.280
   26    HA   TYR   3           HA       TYR   3   0.121   3.590  -0.816
   27    HB2  TYR   3          1HB       TYR   3  -0.991   0.787  -0.485
   28    HB3  TYR   3          2HB       TYR   3  -1.451   2.091   0.601
   29    HD1  TYR   3           HD1      TYR   3  -1.122   4.148  -1.878
   30    HD2  TYR   3           HD2      TYR   3  -3.377   0.583  -1.097
   31    HE1  TYR   3           HE1      TYR   3  -2.846   4.884  -3.490
   32    HE2  TYR   3           HE2      TYR   3  -5.100   1.317  -2.710
   33    HH   TYR   3           HH       TYR   3  -5.561   2.792  -4.364
   34    H    GLY   4           H        GLY   4   1.801   0.609   0.047
   35    HA2  GLY   4          1HA       GLY   4   1.952   1.264   2.884
   36    HA3  GLY   4          2HA       GLY   4   2.755  -0.069   2.073
   37    H    ASN   5           H        ASN   5   3.513   2.470   0.177
   38    HA   ASN   5           HA       ASN   5   6.079   2.929   1.598
   39    HB2  ASN   5          1HB       ASN   5   5.195   3.457  -1.256
   40    HB3  ASN   5          2HB       ASN   5   6.747   3.974  -0.608
   41   HD21  ASN   5          1HD2      ASN   5   6.773   0.546  -2.297
   42   HD22  ASN   5          2HD2      ASN   5   5.947   2.008  -2.722
   43    H    GLY   6           H        GLY   6   3.174   4.256   1.779
   44    HA2  GLY   6          1HA       GLY   6   2.914   6.254   3.126
   45    HA3  GLY   6          2HA       GLY   6   4.359   6.924   2.391
   46    H    VAL   7           H        VAL   7   1.668   5.311   0.713
   47    HA   VAL   7           HA       VAL   7   1.086   7.913  -0.643
   48    HB   VAL   7           HB       VAL   7   0.942   5.091  -1.787
   49   HG11  VAL   7          1HG1      VAL   7   0.385   6.183  -3.903
   50   HG12  VAL   7          2HG1      VAL   7  -0.846   6.483  -2.655
   51   HG13  VAL   7          3HG1      VAL   7   0.325   7.756  -3.075
   52   HG21  VAL   7          1HG2      VAL   7   2.764   5.884  -3.261
   53   HG22  VAL   7          2HG2      VAL   7   2.775   7.445  -2.406
   54   HG23  VAL   7          3HG2      VAL   7   3.244   5.956  -1.550
   55    H    THR   8           H        THR   8  -0.960   8.607  -0.702
   56    HA   THR   8           HA       THR   8  -3.137   6.713  -0.007
   57    HB   THR   8           HB       THR   8  -2.420   7.770   2.138
   58    HG1  THR   8           HG1      THR   8  -4.920   8.860   1.336
   59   HG21  THR   8          1HG2      THR   8  -2.818  10.178   2.469
   60   HG22  THR   8          2HG2      THR   8  -1.592   9.903   1.209
   61   HG23  THR   8          3HG2      THR   8  -3.252  10.347   0.752
   62    H    CYS   9           H        CYS   9  -5.218   7.370  -0.630
   63    HA   CYS   9           HA       CYS   9  -5.177   9.557  -2.668
   64    HB2  CYS   9          1HB       CYS   9  -6.659   6.901  -2.796
   65    HB3  CYS   9          2HB       CYS   9  -6.800   8.199  -3.974
   66    H    GLY  10           H        GLY  10  -7.349  10.408  -3.211
   67    HA2  GLY  10          1HA       GLY  10  -8.953  10.719  -0.722
   68    HA3  GLY  10          2HA       GLY  10  -8.978  11.797  -2.104
   69    H    LYS  11           H        LYS  11 -11.069  11.765  -2.738
   70    HA   LYS  11           HA       LYS  11 -12.519   9.185  -2.778
   71    HB2  LYS  11          1HB       LYS  11 -13.588  11.162  -1.719
   72    HB3  LYS  11          2HB       LYS  11 -13.509  12.027  -3.248
   73    HG2  LYS  11          1HG       LYS  11 -15.037  10.425  -4.278
   74    HG3  LYS  11          2HG       LYS  11 -15.062   9.462  -2.795
   75    HD2  LYS  11          1HD       LYS  11 -16.023  11.384  -1.562
   76    HD3  LYS  11          2HD       LYS  11 -16.003  12.343  -3.050
   77    HE2  LYS  11          1HE       LYS  11 -17.523  10.702  -4.120
   78    HE3  LYS  11          2HE       LYS  11 -17.557   9.764  -2.625
   79    HZ1  LYS  11          1HZ       LYS  11 -19.450  11.204  -2.806
   80    HZ2  LYS  11          2HZ       LYS  11 -18.521  11.664  -1.523
   81    HZ3  LYS  11          3HZ       LYS  11 -18.491  12.540  -2.919
   82    H    HIS  12           H        HIS  12 -11.817  11.917  -4.978
   83    HA   HIS  12           HA       HIS  12 -12.605  10.134  -7.256
   84    HB2  HIS  12          1HB       HIS  12 -12.627  13.169  -7.066
   85    HB3  HIS  12          2HB       HIS  12 -13.005  12.243  -8.512
   86    HD1  HIS  12           HD1      HIS  12 -15.125  10.501  -8.191
   87    HD2  HIS  12           HD2      HIS  12 -14.892  13.649  -5.399
   88    HE1  HIS  12           HE1      HIS  12 -17.370  10.741  -7.256
   89    H    SER  13           H        SER  13  -9.960  11.344  -5.677
   90    HA   SER  13           HA       SER  13  -8.220  10.692  -7.916
   91    HB2  SER  13          1HB       SER  13  -7.142  12.831  -8.151
   92    HB3  SER  13          2HB       SER  13  -8.865  13.050  -8.421
   93    HG   SER  13           HG       SER  13  -7.242  13.940  -6.407
   94    H    CYS  14           H        CYS  14  -5.933  10.775  -7.335
   95    HA   CYS  14           HA       CYS  14  -5.600  10.163  -4.459
   96    HB2  CYS  14          1HB       CYS  14  -3.782   9.756  -6.863
   97    HB3  CYS  14          2HB       CYS  14  -3.317   9.372  -5.212
   98    H    SER  15           H        SER  15  -3.847  11.011  -3.226
   99    HA   SER  15           HA       SER  15  -3.220  13.814  -4.032
  100    HB2  SER  15          1HB       SER  15  -4.489  13.608  -1.958
  101    HB3  SER  15          2HB       SER  15  -3.308  12.484  -1.305
  102    HG   SER  15           HG       SER  15  -1.880  14.448  -2.009
  103    H    VAL  16           H        VAL  16  -1.325  13.864  -5.052
  104    HA   VAL  16           HA       VAL  16   0.987  12.604  -3.637
  105    HB   VAL  16           HB       VAL  16   0.560  12.866  -6.644
  106   HG11  VAL  16          1HG1      VAL  16   2.695  11.687  -6.860
  107   HG12  VAL  16          2HG1      VAL  16   2.881  13.263  -6.053
  108   HG13  VAL  16          3HG1      VAL  16   2.912  11.763  -5.095
  109   HG21  VAL  16          1HG2      VAL  16   0.595  10.392  -6.589
  110   HG22  VAL  16          2HG2      VAL  16   0.745  10.435  -4.816
  111   HG23  VAL  16          3HG2      VAL  16  -0.735  11.039  -5.600
  112    H    ASP  17           H        ASP  17   2.562  13.942  -3.080
  113    HA   ASP  17           HA       ASP  17   2.358  16.766  -3.732
  114    HB2  ASP  17          1HB       ASP  17   4.477  15.170  -2.240
  115    HB3  ASP  17          2HB       ASP  17   4.502  16.920  -2.406
  116    H    TRP  18           H        TRP  18   3.884  18.060  -4.799
  117    HA   TRP  18           HA       TRP  18   4.860  16.990  -7.250
  118    HB2  TRP  18          1HB       TRP  18   5.531  19.561  -5.772
  119    HB3  TRP  18          2HB       TRP  18   6.121  19.192  -7.386
  120    HD1  TRP  18           HD1      TRP  18   3.162  20.619  -5.588
  121    HE1  TRP  18           HE1      TRP  18   1.273  21.186  -7.261
  122    HE3  TRP  18           HE3      TRP  18   5.020  18.210  -9.717
  123    HZ2  TRP  18           HZ2      TRP  18   0.678  20.670  -9.973
  124    HZ3  TRP  18           HZ3      TRP  18   3.740  18.284 -11.819
  125    HH2  TRP  18           HH2      TRP  18   1.604  19.495 -11.953
  126    H    GLY  19           H        GLY  19   6.648  15.954  -7.790
  127    HA2  GLY  19          1HA       GLY  19   9.064  15.647  -7.639
  128    HA3  GLY  19          2HA       GLY  19   8.991  16.074  -5.940
  129    H    LYS  20           H        LYS  20   6.364  14.343  -5.967
  130    HA   LYS  20           HA       LYS  20   7.777  11.798  -5.386
  131    HB2  LYS  20          1HB       LYS  20   4.952  12.735  -4.742
  132    HB3  LYS  20          2HB       LYS  20   5.591  11.150  -4.328
  133    HG2  LYS  20          1HG       LYS  20   7.326  12.228  -2.922
  134    HG3  LYS  20          2HG       LYS  20   6.639  13.810  -3.315
  135    HD2  LYS  20          1HD       LYS  20   4.468  13.094  -2.333
  136    HD3  LYS  20          2HD       LYS  20   5.192  11.537  -1.904
  137    HE2  LYS  20          1HE       LYS  20   6.799  12.638  -0.434
  138    HE3  LYS  20          2HE       LYS  20   6.220  14.228  -0.934
  139    HZ1  LYS  20          1HZ       LYS  20   5.284  13.567   1.157
  140    HZ2  LYS  20          2HZ       LYS  20   4.089  13.692   0.027
  141    HZ3  LYS  20          3HZ       LYS  20   4.630  12.205   0.496
  142    H    ALA  21           H        ALA  21   6.783   9.760  -6.014
  143    HA   ALA  21           HA       ALA  21   6.340   9.744  -8.853
  144    HB1  ALA  21          1HB       ALA  21   6.022   7.309  -8.558
  145    HB2  ALA  21          2HB       ALA  21   7.467   7.894  -7.699
  146    HB3  ALA  21          3HB       ALA  21   5.977   7.535  -6.795
  147    H    THR  22           H        THR  22   4.554   9.386 -10.072
  148    HA   THR  22           HA       THR  22   1.960   9.637  -8.613
  149    HB   THR  22           HB       THR  22   1.060  10.592 -10.735
  150    HG1  THR  22           HG1      THR  22   3.615  11.019 -11.752
  151   HG21  THR  22          1HG2      THR  22   2.237  12.753 -10.601
  152   HG22  THR  22          2HG2      THR  22   1.937  12.090  -8.977
  153   HG23  THR  22          3HG2      THR  22   3.561  11.981  -9.698
  154    H    THR  23           H        THR  23   3.275   7.124  -8.954
  155    HA   THR  23           HA       THR  23   2.417   5.770 -11.323
  156    HB   THR  23           HB       THR  23   3.169   4.645  -8.591
  157    HG1  THR  23           HG1      THR  23   5.056   4.173 -10.277
  158   HG21  THR  23          1HG2      THR  23   3.567   2.543  -9.813
  159   HG22  THR  23          2HG2      THR  23   1.861   3.036  -9.935
  160   HG23  THR  23          3HG2      THR  23   2.962   3.293 -11.309
  161    H    CYS  24           H        CYS  24   1.022   5.991  -8.054
  162    HA   CYS  24           HA       CYS  24  -1.104   4.132  -8.565
  163    HB2  CYS  24          1HB       CYS  24  -0.762   6.334  -6.500
  164    HB3  CYS  24          2HB       CYS  24  -2.159   5.267  -6.536
  165    H    ILE  25           H        ILE  25  -0.777   7.639  -8.929
  166    HA   ILE  25           HA       ILE  25  -3.474   8.233  -9.581
  167    HB   ILE  25           HB       ILE  25  -0.849   9.490 -10.454
  168   HG12  ILE  25          1HG1      ILE  25  -2.999  10.510  -8.588
  169   HG13  ILE  25          2HG1      ILE  25  -1.585   9.615  -8.053
  170   HG21  ILE  25          1HG2      ILE  25  -2.186  11.371 -11.312
  171   HG22  ILE  25          2HG2      ILE  25  -2.533   9.876 -12.212
  172   HG23  ILE  25          3HG2      ILE  25  -3.681  10.463 -10.985
  173   HD11  ILE  25          1HD1      ILE  25  -1.257  12.009  -7.790
  174   HD12  ILE  25          2HD1      ILE  25  -0.116  11.348  -8.987
  175   HD13  ILE  25          3HD1      ILE  25  -1.548  12.257  -9.528
  176    H    ILE  26           H        ILE  26  -0.754   7.213 -11.654
  177    HA   ILE  26           HA       ILE  26  -2.250   7.224 -14.093
  178    HB   ILE  26           HB       ILE  26   0.256   5.716 -13.253
  179   HG12  ILE  26          1HG1      ILE  26  -0.061   8.056 -15.138
  180   HG13  ILE  26          2HG1      ILE  26   0.283   8.236 -13.425
  181   HG21  ILE  26          1HG2      ILE  26   0.570   5.221 -15.644
  182   HG22  ILE  26          2HG2      ILE  26  -0.912   4.458 -15.023
  183   HG23  ILE  26          3HG2      ILE  26  -1.017   5.938 -16.006
  184   HD11  ILE  26          1HD1      ILE  26   2.319   8.372 -14.747
  185   HD12  ILE  26          2HD1      ILE  26   2.353   6.940 -13.691
  186   HD13  ILE  26          3HD1      ILE  26   2.005   6.759 -15.427
  187    H    ASN  27           H        ASN  27  -1.523   4.637 -11.743
  188    HA   ASN  27           HA       ASN  27  -2.755   2.580 -13.342
  189    HB2  ASN  27          1HB       ASN  27  -1.911   2.730 -10.438
  190    HB3  ASN  27          2HB       ASN  27  -2.673   1.299 -11.120
  191   HD21  ASN  27          1HD2      ASN  27   0.997   0.895 -11.295
  192   HD22  ASN  27          2HD2      ASN  27  -0.168   1.162 -10.042
  193    H    ASN  28           H        ASN  28  -3.851   4.401 -10.475
  194    HA   ASN  28           HA       ASN  28  -6.375   3.020 -10.328
  195    HB2  ASN  28          1HB       ASN  28  -5.409   5.653  -9.173
  196    HB3  ASN  28          2HB       ASN  28  -7.007   4.990  -8.855
  197   HD21  ASN  28          1HD2      ASN  28  -4.867   3.954  -6.074
  198   HD22  ASN  28          2HD2      ASN  28  -5.494   5.429  -6.732
  199    H    GLY  29           H        GLY  29  -5.286   5.948 -11.968
  200    HA2  GLY  29          1HA       GLY  29  -7.836   6.896 -12.829
  201    HA3  GLY  29          2HA       GLY  29  -6.306   7.201 -13.631
  202    H    ALA  30           H        ALA  30  -5.484   4.668 -14.362
  203    HA   ALA  30           HA       ALA  30  -7.059   4.148 -16.684
  204    HB1  ALA  30          1HB       ALA  30  -5.600   2.171 -16.967
  205    HB2  ALA  30          2HB       ALA  30  -4.663   3.631 -16.571
  206    HB3  ALA  30          3HB       ALA  30  -4.974   2.407 -15.319
  207    H    LEU  31           H        LEU  31  -6.850   2.515 -13.532
  208    HA   LEU  31           HA       LEU  31  -8.639   0.380 -14.210
  209    HB2  LEU  31          1HB       LEU  31  -7.849   1.620 -11.555
  210    HB3  LEU  31          2HB       LEU  31  -8.889   0.199 -11.690
  211    HG   LEU  31           HG       LEU  31  -6.040   0.335 -12.735
  212   HD11  LEU  31          1HD1      LEU  31  -5.479  -1.022 -10.767
  213   HD12  LEU  31          2HD1      LEU  31  -6.102   0.580 -10.306
  214   HD13  LEU  31          3HD1      LEU  31  -7.149  -0.853 -10.175
  215   HD21  LEU  31          1HD2      LEU  31  -6.307  -2.118 -12.868
  216   HD22  LEU  31          2HD2      LEU  31  -7.989  -1.966 -12.306
  217   HD23  LEU  31          3HD2      LEU  31  -7.512  -1.287 -13.880
  218    H    ALA  32           H        ALA  32  -9.119   3.606 -12.809
  219    HA   ALA  32           HA       ALA  32 -11.897   3.344 -12.260
  220    HB1  ALA  32          1HB       ALA  32 -11.936   5.815 -12.350
  221    HB2  ALA  32          2HB       ALA  32 -10.547   5.212 -11.416
  222    HB3  ALA  32          3HB       ALA  32 -10.313   5.807 -13.075
  223    H    TRP  33           H        TRP  33 -10.183   4.432 -15.190
  224    HA   TRP  33           HA       TRP  33 -12.525   4.963 -16.731
  225    HB2  TRP  33          1HB       TRP  33 -10.323   5.764 -17.429
  226    HB3  TRP  33          2HB       TRP  33  -9.729   4.117 -17.583
  227    HD1  TRP  33           HD1      TRP  33 -12.090   6.623 -19.320
  228    HE1  TRP  33           HE1      TRP  33 -12.475   5.857 -21.760
  229    HE3  TRP  33           HE3      TRP  33  -9.708   2.087 -19.105
  230    HZ2  TRP  33           HZ2      TRP  33 -11.837   3.618 -23.358
  231    HZ3  TRP  33           HZ3      TRP  33  -9.632   0.680 -21.125
  232    HH2  TRP  33           HH2      TRP  33 -10.675   1.429 -23.223
  233    H    ALA  34           H        ALA  34 -10.556   2.020 -16.330
  234    HA   ALA  34           HA       ALA  34 -11.907   0.556 -18.390
  235    HB1  ALA  34          1HB       ALA  34 -10.783  -1.420 -17.413
  236    HB2  ALA  34          2HB       ALA  34  -9.661  -0.052 -17.609
  237    HB3  ALA  34          3HB       ALA  34 -10.314  -0.444 -16.001
  238    H    THR  35           H        THR  35 -12.396   0.825 -14.889
  239    HA   THR  35           HA       THR  35 -14.517  -1.242 -15.037
  240    HB   THR  35           HB       THR  35 -14.470  -1.191 -12.571
  241    HG1  THR  35           HG1      THR  35 -12.385   0.741 -12.837
  242   HG21  THR  35          1HG2      THR  35 -12.170  -2.010 -12.240
  243   HG22  THR  35          2HG2      THR  35 -12.855  -2.634 -13.760
  244   HG23  THR  35          3HG2      THR  35 -11.686  -1.294 -13.795
  245    H    GLY  36           H        GLY  36 -14.123   2.156 -14.984
  246    HA2  GLY  36          1HA       GLY  36 -15.822   3.777 -15.190
  247    HA3  GLY  36          2HA       GLY  36 -17.030   2.554 -14.837
  248    H    GLY  37           H        GLY  37 -14.185   2.992 -12.816
  249    HA2  GLY  37          1HA       GLY  37 -15.979   3.753 -10.561
  250    HA3  GLY  37          2HA       GLY  37 -14.389   3.030 -10.409
  251    H    HIS  38           H        HIS  38 -13.625   4.630  -9.010
  252    HA   HIS  38           HA       HIS  38 -13.001   7.230 -10.354
  253    HB2  HIS  38          1HB       HIS  38 -13.956   6.863  -7.491
  254    HB3  HIS  38          2HB       HIS  38 -13.298   8.357  -8.144
  255    HD2  HIS  38           HD2      HIS  38 -16.595   6.261  -8.286
  256    HE1  HIS  38           HE1      HIS  38 -17.221   9.922 -10.375
  257    HE2  HIS  38           HE2      HIS  38 -18.325   7.817  -9.452
  258    H    GLN  39           H        GLN  39 -11.038   8.123  -9.927
  259    HA   GLN  39           HA       GLN  39  -8.931   6.332  -9.252
  260    HB2  GLN  39          1HB       GLN  39  -8.652   8.343 -10.692
  261    HB3  GLN  39          2HB       GLN  39  -8.910   9.377  -9.294
  262    HG2  GLN  39          1HG       GLN  39  -6.896   8.435  -8.230
  263    HG3  GLN  39          2HG       GLN  39  -6.626   7.432  -9.682
  264   HE21  GLN  39          1HE2      GLN  39  -5.653  10.179 -11.763
  265   HE22  GLN  39          2HE2      GLN  39  -6.518   8.678 -11.787
  266    H    GLY  40           H        GLY  40  -8.058   5.709  -7.414
  267    HA2  GLY  40          1HA       GLY  40  -7.177   6.252  -5.202
  268    HA3  GLY  40          2HA       GLY  40  -8.495   7.387  -4.981
  269    H    ASN  41           H        ASN  41 -10.070   5.009  -6.456
  270    HA   ASN  41           HA       ASN  41 -10.627   3.537  -3.919
  271    HB2  ASN  41          1HB       ASN  41 -12.332   3.979  -6.390
  272    HB3  ASN  41          2HB       ASN  41 -12.772   2.896  -5.077
  273   HD21  ASN  41          1HD2      ASN  41 -13.238   6.906  -4.742
  274   HD22  ASN  41          2HD2      ASN  41 -12.502   6.175  -6.128
  275    H    HIS  42           H        HIS  42  -8.366   2.980  -5.653
  276    HA   HIS  42           HA       HIS  42  -9.062   0.152  -6.326
  277    HB2  HIS  42          1HB       HIS  42  -7.358   1.972  -8.065
  278    HB3  HIS  42          2HB       HIS  42  -7.692   0.271  -8.352
  279    HD1  HIS  42           HD1      HIS  42 -10.343  -0.309  -8.750
  280    HD2  HIS  42           HD2      HIS  42  -9.281   3.741  -9.230
  281    HE1  HIS  42           HE1      HIS  42 -12.118   0.699 -10.095
  282    H    LYS  43           H        LYS  43  -7.346  -1.329  -6.241
  283    HA   LYS  43           HA       LYS  43  -5.531  -0.769  -4.066
  284    HB2  LYS  43          1HB       LYS  43  -6.519  -3.018  -4.499
  285    HB3  LYS  43          2HB       LYS  43  -5.589  -3.131  -5.988
  286    HG2  LYS  43          1HG       LYS  43  -3.496  -3.094  -4.726
  287    HG3  LYS  43          2HG       LYS  43  -4.389  -2.881  -3.214
  288    HD2  LYS  43          1HD       LYS  43  -5.518  -5.056  -3.574
  289    HD3  LYS  43          2HD       LYS  43  -4.617  -5.270  -5.082
  290    HE2  LYS  43          1HE       LYS  43  -2.489  -5.213  -3.820
  291    HE3  LYS  43          2HE       LYS  43  -3.386  -5.000  -2.314
  292    HZ1  LYS  43          1HZ       LYS  43  -2.777  -7.280  -2.664
  293    HZ2  LYS  43          2HZ       LYS  43  -4.419  -7.132  -2.697
  294    HZ3  LYS  43          3HZ       LYS  43  -3.580  -7.331  -4.102
  295    H    CYS  44           H        CYS  44  -3.464  -0.192  -4.028
  296    HA   CYS  44           HA       CYS  44  -1.834  -0.414  -6.473
  297    HB2  CYS  44          1HB       CYS  44  -2.925   1.805  -6.691
  298    HB3  CYS  44          2HB       CYS  44  -2.318   2.263  -5.108
  Start of MODEL    4
    1    H1   LYS   1          1H        LYS   1   0.281  -1.860  -0.710
    2    H2   LYS   1          2H        LYS   1   1.453  -1.049   0.086
    3    H3   LYS   1          3H        LYS   1   0.890  -0.481  -1.336
    4    HA   LYS   1           HA       LYS   1   2.367  -2.957  -0.930
    5    HB2  LYS   1          1HB       LYS   1   0.687  -3.126  -2.741
    6    HB3  LYS   1          2HB       LYS   1   1.326  -1.666  -3.484
    7    HG2  LYS   1          1HG       LYS   1   3.436  -2.767  -3.965
    8    HG3  LYS   1          2HG       LYS   1   2.923  -4.212  -3.083
    9    HD2  LYS   1          1HD       LYS   1   1.066  -4.534  -4.691
   10    HD3  LYS   1          2HD       LYS   1   1.584  -3.090  -5.573
   11    HE2  LYS   1          1HE       LYS   1   3.766  -4.152  -6.040
   12    HE3  LYS   1          2HE       LYS   1   3.261  -5.592  -5.151
   13    HZ1  LYS   1          1HZ       LYS   1   2.965  -5.858  -7.503
   14    HZ2  LYS   1          2HZ       LYS   1   1.497  -5.889  -6.751
   15    HZ3  LYS   1          3HZ       LYS   1   1.971  -4.545  -7.582
   16    H    TYR   2           H        TYR   2   2.315   0.348  -2.262
   17    HA   TYR   2           HA       TYR   2   5.294   0.225  -2.416
   18    HB2  TYR   2          1HB       TYR   2   3.330   2.077  -3.828
   19    HB3  TYR   2          2HB       TYR   2   5.079   2.164  -3.974
   20    HD1  TYR   2           HD1      TYR   2   2.074   0.667  -5.205
   21    HD2  TYR   2           HD2      TYR   2   6.318   0.116  -4.892
   22    HE1  TYR   2           HE1      TYR   2   2.001  -0.960  -7.065
   23    HE2  TYR   2           HE2      TYR   2   6.244  -1.509  -6.752
   24    HH   TYR   2           HH       TYR   2   4.978  -2.442  -8.331
   25    H    TYR   3           H        TYR   3   3.365   0.863  -0.096
   26    HA   TYR   3           HA       TYR   3   3.652   3.638   0.515
   27    HB2  TYR   3          1HB       TYR   3   2.013   2.152   1.633
   28    HB3  TYR   3          2HB       TYR   3   3.325   1.263   2.393
   29    HD1  TYR   3           HD1      TYR   3   1.710   4.607   2.195
   30    HD2  TYR   3           HD2      TYR   3   4.297   1.995   4.404
   31    HE1  TYR   3           HE1      TYR   3   1.671   6.181   4.100
   32    HE2  TYR   3           HE2      TYR   3   4.260   3.568   6.310
   33    HH   TYR   3           HH       TYR   3   3.486   5.490   7.093
   34    H    GLY   4           H        GLY   4   5.318   4.809   1.081
   35    HA2  GLY   4          1HA       GLY   4   7.160   5.275   2.556
   36    HA3  GLY   4          2HA       GLY   4   7.483   3.556   2.690
   37    H    ASN   5           H        ASN   5   6.848   3.952  -0.493
   38    HA   ASN   5           HA       ASN   5   9.742   4.133  -1.133
   39    HB2  ASN   5          1HB       ASN   5   7.354   3.140  -2.719
   40    HB3  ASN   5          2HB       ASN   5   8.975   3.281  -3.386
   41   HD21  ASN   5          1HD2      ASN   5   8.181  -0.148  -1.942
   42   HD22  ASN   5          2HD2      ASN   5   7.231   0.937  -2.900
   43    H    GLY   6           H        GLY   6   7.244   6.219  -0.858
   44    HA2  GLY   6          1HA       GLY   6   7.596   8.550  -1.392
   45    HA3  GLY   6          2HA       GLY   6   8.538   8.078  -2.796
   46    H    VAL   7           H        VAL   7   6.371   5.928  -3.301
   47    HA   VAL   7           HA       VAL   7   4.292   7.764  -4.413
   48    HB   VAL   7           HB       VAL   7   5.446   5.295  -5.779
   49   HG11  VAL   7          1HG1      VAL   7   4.121   6.022  -7.704
   50   HG12  VAL   7          2HG1      VAL   7   3.101   5.649  -6.294
   51   HG13  VAL   7          3HG1      VAL   7   3.434   7.343  -6.730
   52   HG21  VAL   7          1HG2      VAL   7   6.413   6.916  -7.381
   53   HG22  VAL   7          2HG2      VAL   7   5.797   8.260  -6.390
   54   HG23  VAL   7          3HG2      VAL   7   7.049   7.175  -5.739
   55    H    THR   8           H        THR   8   2.579   7.381  -3.153
   56    HA   THR   8           HA       THR   8   1.471   4.657  -3.116
   57    HB   THR   8           HB       THR   8   2.962   4.680  -1.118
   58    HG1  THR   8           HG1      THR   8   0.731   3.692  -1.220
   59   HG21  THR   8          1HG2      THR   8   2.397   6.152   0.776
   60   HG22  THR   8          2HG2      THR   8   2.873   7.105  -0.650
   61   HG23  THR   8          3HG2      THR   8   1.155   6.954  -0.213
   62    H    CYS   9           H        CYS   9  -0.725   4.558  -2.611
   63    HA   CYS   9           HA       CYS   9  -2.050   7.215  -2.261
   64    HB2  CYS   9          1HB       CYS   9  -2.977   4.822  -3.893
   65    HB3  CYS   9          2HB       CYS   9  -3.997   6.201  -3.511
   66    H    GLY  10           H        GLY  10  -3.818   7.333  -0.897
   67    HA2  GLY  10          1HA       GLY  10  -4.241   4.980   0.884
   68    HA3  GLY  10          2HA       GLY  10  -4.699   6.635   1.243
   69    H    LYS  11           H        LYS  11  -6.802   5.736   1.789
   70    HA   LYS  11           HA       LYS  11  -8.440   4.917  -0.552
   71    HB2  LYS  11          1HB       LYS  11  -9.031   4.885   2.434
   72    HB3  LYS  11          2HB       LYS  11 -10.179   4.406   1.192
   73    HG2  LYS  11          1HG       LYS  11  -8.639   2.603   0.475
   74    HG3  LYS  11          2HG       LYS  11  -7.516   3.073   1.757
   75    HD2  LYS  11          1HD       LYS  11  -9.254   2.614   3.456
   76    HD3  LYS  11          2HD       LYS  11 -10.383   2.152   2.175
   77    HE2  LYS  11          1HE       LYS  11  -8.880   0.316   1.499
   78    HE3  LYS  11          2HE       LYS  11  -7.732   0.782   2.756
   79    HZ1  LYS  11          1HZ       LYS  11  -9.123  -1.022   3.459
   80    HZ2  LYS  11          2HZ       LYS  11  -9.419   0.304   4.394
   81    HZ3  LYS  11          3HZ       LYS  11 -10.491  -0.134   3.219
   82    H    HIS  12           H        HIS  12  -7.425   7.727   0.474
   83    HA   HIS  12           HA       HIS  12 -10.055   9.061  -0.027
   84    HB2  HIS  12          1HB       HIS  12  -8.007   9.877   2.068
   85    HB3  HIS  12          2HB       HIS  12  -9.419  10.819   1.610
   86    HD1  HIS  12           HD1      HIS  12 -11.805   9.407   1.944
   87    HD2  HIS  12           HD2      HIS  12  -8.516   8.100   4.230
   88    HE1  HIS  12           HE1      HIS  12 -12.745   8.164   3.827
   89    H    SER  13           H        SER  13  -6.509   9.319  -0.002
   90    HA   SER  13           HA       SER  13  -6.627  10.743  -2.555
   91    HB2  SER  13          1HB       SER  13  -5.465  12.727  -1.840
   92    HB3  SER  13          2HB       SER  13  -6.920  12.559  -0.869
   93    HG   SER  13           HG       SER  13  -4.261  12.273  -0.194
   94    H    CYS  14           H        CYS  14  -4.450  11.161  -3.442
   95    HA   CYS  14           HA       CYS  14  -2.635   8.958  -2.624
   96    HB2  CYS  14          1HB       CYS  14  -2.807  10.641  -5.149
   97    HB3  CYS  14          2HB       CYS  14  -1.507   9.498  -4.839
   98    H    SER  15           H        SER  15  -0.356   9.290  -2.489
   99    HA   SER  15           HA       SER  15   0.471  12.118  -2.055
  100    HB2  SER  15          1HB       SER  15  -0.044  11.185   0.149
  101    HB3  SER  15          2HB       SER  15   0.980   9.793  -0.170
  102    HG   SER  15           HG       SER  15   2.624  11.520  -0.600
  103    H    VAL  16           H        VAL  16   1.873  12.403  -3.659
  104    HA   VAL  16           HA       VAL  16   4.017  10.343  -3.976
  105    HB   VAL  16           HB       VAL  16   2.905  12.287  -6.045
  106   HG11  VAL  16          1HG1      VAL  16   4.376  11.139  -7.628
  107   HG12  VAL  16          2HG1      VAL  16   5.291  11.953  -6.337
  108   HG13  VAL  16          3HG1      VAL  16   5.069  10.187  -6.292
  109   HG21  VAL  16          1HG2      VAL  16   2.116  10.227  -7.166
  110   HG22  VAL  16          2HG2      VAL  16   2.736   9.253  -5.812
  111   HG23  VAL  16          3HG2      VAL  16   1.396  10.394  -5.547
  112    H    ASP  17           H        ASP  17   5.987  10.940  -3.418
  113    HA   ASP  17           HA       ASP  17   6.562  13.606  -2.514
  114    HB2  ASP  17          1HB       ASP  17   8.326  11.200  -3.088
  115    HB3  ASP  17          2HB       ASP  17   8.967  12.721  -2.483
  116    H    TRP  18           H        TRP  18   7.928  15.178  -3.351
  117    HA   TRP  18           HA       TRP  18   7.691  15.620  -6.159
  118    HB2  TRP  18          1HB       TRP  18   9.474  16.908  -4.059
  119    HB3  TRP  18          2HB       TRP  18   9.372  17.476  -5.719
  120    HD1  TRP  18           HD1      TRP  18   7.672  17.772  -2.394
  121    HE1  TRP  18           HE1      TRP  18   5.556  19.247  -2.589
  122    HE3  TRP  18           HE3      TRP  18   7.340  18.004  -7.507
  123    HZ2  TRP  18           HZ2      TRP  18   3.979  20.353  -4.653
  124    HZ3  TRP  18           HZ3      TRP  18   5.503  19.286  -8.528
  125    HH2  TRP  18           HH2      TRP  18   3.847  20.447  -7.129
  126    H    GLY  19           H        GLY  19   8.846  14.978  -7.835
  127    HA2  GLY  19          1HA       GLY  19  10.937  14.515  -8.951
  128    HA3  GLY  19          2HA       GLY  19  11.653  14.074  -7.412
  129    H    LYS  20           H        LYS  20   8.764  12.686  -7.115
  130    HA   LYS  20           HA       LYS  20   9.723  10.111  -8.252
  131    HB2  LYS  20          1HB       LYS  20   7.530  10.634  -6.207
  132    HB3  LYS  20          2HB       LYS  20   8.115   9.056  -6.712
  133    HG2  LYS  20          1HG       LYS  20   9.777  11.156  -5.285
  134    HG3  LYS  20          2HG       LYS  20   9.014   9.751  -4.526
  135    HD2  LYS  20          1HD       LYS  20  10.338   8.266  -6.054
  136    HD3  LYS  20          2HD       LYS  20  11.163   9.702  -6.676
  137    HE2  LYS  20          1HE       LYS  20  11.949  10.219  -4.369
  138    HE3  LYS  20          2HE       LYS  20  11.175   8.742  -3.791
  139    HZ1  LYS  20          1HZ       LYS  20  13.499   8.411  -4.216
  140    HZ2  LYS  20          2HZ       LYS  20  12.607   7.488  -5.252
  141    HZ3  LYS  20          3HZ       LYS  20  13.331   8.869  -5.791
  142    H    ALA  21           H        ALA  21   8.158   8.638  -9.192
  143    HA   ALA  21           HA       ALA  21   6.539  10.051 -11.155
  144    HB1  ALA  21          1HB       ALA  21   6.077   7.788 -12.042
  145    HB2  ALA  21          2HB       ALA  21   7.819   8.055 -11.789
  146    HB3  ALA  21          3HB       ALA  21   6.890   7.077 -10.629
  147    H    THR  22           H        THR  22   4.311   9.740 -11.563
  148    HA   THR  22           HA       THR  22   2.764   9.306  -9.066
  149    HB   THR  22           HB       THR  22   0.875  10.344 -10.340
  150    HG1  THR  22           HG1      THR  22   1.162  10.971 -12.404
  151   HG21  THR  22          1HG2      THR  22   1.817  12.619 -10.412
  152   HG22  THR  22          2HG2      THR  22   2.379  11.744  -8.968
  153   HG23  THR  22          3HG2      THR  22   3.462  11.944 -10.365
  154    H    THR  23           H        THR  23   3.721   6.952  -9.938
  155    HA   THR  23           HA       THR  23   2.320   5.737 -12.100
  156    HB   THR  23           HB       THR  23   3.723   4.453  -9.718
  157    HG1  THR  23           HG1      THR  23   5.143   4.135 -11.840
  158   HG21  THR  23          1HG2      THR  23   3.827   2.442 -11.138
  159   HG22  THR  23          2HG2      THR  23   2.139   2.898 -10.804
  160   HG23  THR  23          3HG2      THR  23   2.866   3.268 -12.385
  161    H    CYS  24           H        CYS  24   1.763   5.625  -8.580
  162    HA   CYS  24           HA       CYS  24  -0.391   3.762  -8.678
  163    HB2  CYS  24          1HB       CYS  24   0.367   5.912  -6.673
  164    HB3  CYS  24          2HB       CYS  24  -1.014   4.851  -6.434
  165    H    ILE  25           H        ILE  25  -0.305   7.317  -8.825
  166    HA   ILE  25           HA       ILE  25  -3.128   7.719  -8.851
  167    HB   ILE  25           HB       ILE  25  -0.834   9.360  -9.991
  168   HG12  ILE  25          1HG1      ILE  25  -2.582   9.866  -7.577
  169   HG13  ILE  25          2HG1      ILE  25  -1.042   9.026  -7.500
  170   HG21  ILE  25          1HG2      ILE  25  -2.459  11.198 -10.214
  171   HG22  ILE  25          2HG2      ILE  25  -2.891   9.831 -11.267
  172   HG23  ILE  25          3HG2      ILE  25  -3.775  10.096  -9.745
  173   HD11  ILE  25          1HD1      ILE  25  -0.793  11.369  -6.904
  174   HD12  ILE  25          2HD1      ILE  25   0.099  11.006  -8.402
  175   HD13  ILE  25          3HD1      ILE  25  -1.462  11.858  -8.479
  176    H    ILE  26           H        ILE  26  -0.778   7.256 -11.494
  177    HA   ILE  26           HA       ILE  26  -2.645   7.487 -13.630
  178    HB   ILE  26           HB       ILE  26  -0.014   5.979 -13.394
  179   HG12  ILE  26          1HG1      ILE  26  -0.677   8.507 -14.912
  180   HG13  ILE  26          2HG1      ILE  26  -0.066   8.503 -13.264
  181   HG21  ILE  26          1HG2      ILE  26  -0.081   5.776 -15.847
  182   HG22  ILE  26          2HG2      ILE  26  -1.427   4.890 -15.095
  183   HG23  ILE  26          3HG2      ILE  26  -1.721   6.468 -15.863
  184   HD11  ILE  26          1HD1      ILE  26   1.728   8.868 -14.864
  185   HD12  ILE  26          2HD1      ILE  26   1.960   7.326 -14.005
  186   HD13  ILE  26          3HD1      ILE  26   1.342   7.333 -15.675
  187    H    ASN  27           H        ASN  27  -1.565   4.671 -11.735
  188    HA   ASN  27           HA       ASN  27  -3.003   2.719 -13.238
  189    HB2  ASN  27          1HB       ASN  27  -2.013   2.790 -10.378
  190    HB3  ASN  27          2HB       ASN  27  -2.852   1.396 -11.045
  191   HD21  ASN  27          1HD2      ASN  27   0.809   0.924 -11.405
  192   HD22  ASN  27          2HD2      ASN  27  -0.273   1.228 -10.087
  193    H    ASN  28           H        ASN  28  -3.925   4.664 -10.411
  194    HA   ASN  28           HA       ASN  28  -6.491   3.452 -10.050
  195    HB2  ASN  28          1HB       ASN  28  -5.353   6.156  -9.311
  196    HB3  ASN  28          2HB       ASN  28  -7.018   5.718  -8.947
  197   HD21  ASN  28          1HD2      ASN  28  -5.039   4.926  -5.971
  198   HD22  ASN  28          2HD2      ASN  28  -5.485   6.334  -6.876
  199    H    GLY  29           H        GLY  29  -5.410   6.198 -12.025
  200    HA2  GLY  29          1HA       GLY  29  -7.967   6.928 -13.063
  201    HA3  GLY  29          2HA       GLY  29  -6.425   7.215 -13.847
  202    H    ALA  30           H        ALA  30  -5.494   4.607 -14.203
  203    HA   ALA  30           HA       ALA  30  -6.832   3.827 -16.579
  204    HB1  ALA  30          1HB       ALA  30  -5.421   1.799 -16.468
  205    HB2  ALA  30          2HB       ALA  30  -4.484   3.273 -16.129
  206    HB3  ALA  30          3HB       ALA  30  -4.980   2.207 -14.794
  207    H    LEU  31           H        LEU  31  -7.082   2.612 -13.254
  208    HA   LEU  31           HA       LEU  31  -8.836   0.436 -13.830
  209    HB2  LEU  31          1HB       LEU  31  -8.452   2.134 -11.344
  210    HB3  LEU  31          2HB       LEU  31  -9.511   0.722 -11.398
  211    HG   LEU  31           HG       LEU  31  -6.524   0.641 -11.950
  212   HD11  LEU  31          1HD1      LEU  31  -6.351  -0.338  -9.706
  213   HD12  LEU  31          2HD1      LEU  31  -6.978   1.326  -9.651
  214   HD13  LEU  31          3HD1      LEU  31  -8.087  -0.050  -9.446
  215   HD21  LEU  31          1HD2      LEU  31  -6.861  -1.794 -11.686
  216   HD22  LEU  31          2HD2      LEU  31  -8.606  -1.527 -11.455
  217   HD23  LEU  31          3HD2      LEU  31  -7.849  -1.151 -13.021
  218    H    ALA  32           H        ALA  32  -9.437   3.859 -13.085
  219    HA   ALA  32           HA       ALA  32 -12.279   3.670 -12.973
  220    HB1  ALA  32          1HB       ALA  32 -12.244   6.110 -13.377
  221    HB2  ALA  32          2HB       ALA  32 -11.050   5.628 -12.149
  222    HB3  ALA  32          3HB       ALA  32 -10.520   6.006 -13.804
  223    H    TRP  33           H        TRP  33 -10.023   4.058 -15.664
  224    HA   TRP  33           HA       TRP  33 -12.176   4.423 -17.607
  225    HB2  TRP  33          1HB       TRP  33  -9.182   3.983 -17.857
  226    HB3  TRP  33          2HB       TRP  33 -10.239   4.074 -19.257
  227    HD1  TRP  33           HD1      TRP  33  -8.117   6.221 -17.201
  228    HE1  TRP  33           HE1      TRP  33  -8.667   8.725 -17.537
  229    HE3  TRP  33           HE3      TRP  33 -12.634   5.724 -19.578
  230    HZ2  TRP  33           HZ2      TRP  33 -10.748  10.260 -18.669
  231    HZ3  TRP  33           HZ3      TRP  33 -13.855   7.751 -20.260
  232    HH2  TRP  33           HH2      TRP  33 -12.931   9.987 -19.819
  233    H    ALA  34           H        ALA  34 -10.355   1.777 -16.238
  234    HA   ALA  34           HA       ALA  34 -10.919  -0.078 -18.394
  235    HB1  ALA  34          1HB       ALA  34 -10.013  -1.779 -16.844
  236    HB2  ALA  34          2HB       ALA  34  -8.949  -0.358 -16.957
  237    HB3  ALA  34          3HB       ALA  34 -10.001  -0.573 -15.538
  238    H    THR  35           H        THR  35 -12.058   0.059 -14.995
  239    HA   THR  35           HA       THR  35 -14.511  -1.377 -15.919
  240    HB   THR  35           HB       THR  35 -14.552  -2.573 -13.759
  241    HG1  THR  35           HG1      THR  35 -13.298  -0.881 -12.646
  242   HG21  THR  35          1HG2      THR  35 -12.612  -4.045 -14.134
  243   HG22  THR  35          2HG2      THR  35 -13.392  -3.615 -15.675
  244   HG23  THR  35          3HG2      THR  35 -11.879  -2.816 -15.191
  245    H    GLY  36           H        GLY  36 -13.123   1.237 -14.156
  246    HA2  GLY  36          1HA       GLY  36 -14.575   3.161 -13.657
  247    HA3  GLY  36          2HA       GLY  36 -15.855   2.041 -13.231
  248    H    GLY  37           H        GLY  37 -14.732   4.189 -11.621
  249    HA2  GLY  37          1HA       GLY  37 -14.652   3.084  -9.074
  250    HA3  GLY  37          2HA       GLY  37 -12.981   3.031  -9.603
  251    H    HIS  38           H        HIS  38 -12.373   4.544  -8.000
  252    HA   HIS  38           HA       HIS  38 -13.097   7.364  -8.678
  253    HB2  HIS  38          1HB       HIS  38 -12.942   6.208  -5.869
  254    HB3  HIS  38          2HB       HIS  38 -13.144   7.908  -6.265
  255    HD2  HIS  38           HD2      HIS  38 -15.286   4.782  -5.719
  256    HE1  HIS  38           HE1      HIS  38 -17.827   7.752  -7.421
  257    HE2  HIS  38           HE2      HIS  38 -17.733   5.475  -6.277
  258    H    GLN  39           H        GLN  39 -11.196   7.800  -9.688
  259    HA   GLN  39           HA       GLN  39  -8.651   6.878  -8.930
  260    HB2  GLN  39          1HB       GLN  39  -9.166   7.989 -11.095
  261    HB3  GLN  39          2HB       GLN  39  -9.353   9.526 -10.261
  262    HG2  GLN  39          1HG       GLN  39  -7.006   9.468  -9.578
  263    HG3  GLN  39          2HG       GLN  39  -6.809   7.893 -10.398
  264   HE21  GLN  39          1HE2      GLN  39  -5.514   9.923 -12.991
  265   HE22  GLN  39          2HE2      GLN  39  -5.104   8.954 -11.616
  266    H    GLY  40           H        GLY  40  -7.421   7.195  -7.236
  267    HA2  GLY  40          1HA       GLY  40  -6.173   8.732  -5.818
  268    HA3  GLY  40          2HA       GLY  40  -7.532   9.840  -5.853
  269    H    ASN  41           H        ASN  41  -9.211   7.173  -5.580
  270    HA   ASN  41           HA       ASN  41  -9.046   7.163  -2.596
  271    HB2  ASN  41          1HB       ASN  41 -11.408   6.723  -4.450
  272    HB3  ASN  41          2HB       ASN  41 -11.456   6.437  -2.715
  273   HD21  ASN  41          1HD2      ASN  41 -11.734  10.176  -4.237
  274   HD22  ASN  41          2HD2      ASN  41 -11.495   8.781  -5.236
  275    H    HIS  42           H        HIS  42  -7.547   5.492  -4.568
  276    HA   HIS  42           HA       HIS  42  -8.427   2.845  -3.470
  277    HB2  HIS  42          1HB       HIS  42  -7.159   3.382  -6.181
  278    HB3  HIS  42          2HB       HIS  42  -7.529   1.797  -5.518
  279    HD1  HIS  42           HD1      HIS  42 -10.208   1.418  -4.973
  280    HD2  HIS  42           HD2      HIS  42  -9.307   4.526  -7.672
  281    HE1  HIS  42           HE1      HIS  42 -12.257   1.824  -6.239
  282    H    LYS  43           H        LYS  43  -7.037   1.951  -2.153
  283    HA   LYS  43           HA       LYS  43  -4.574   3.244  -1.520
  284    HB2  LYS  43          1HB       LYS  43  -5.912   1.848   0.069
  285    HB3  LYS  43          2HB       LYS  43  -5.451   0.411  -0.833
  286    HG2  LYS  43          1HG       LYS  43  -3.103   0.757  -0.264
  287    HG3  LYS  43          2HG       LYS  43  -3.504   2.271   0.560
  288    HD2  LYS  43          1HD       LYS  43  -4.932   1.024   2.154
  289    HD3  LYS  43          2HD       LYS  43  -4.520  -0.489   1.334
  290    HE2  LYS  43          1HE       LYS  43  -2.132  -0.132   1.877
  291    HE3  LYS  43          2HE       LYS  43  -2.543   1.375   2.700
  292    HZ1  LYS  43          1HZ       LYS  43  -2.320  -0.436   4.236
  293    HZ2  LYS  43          2HZ       LYS  43  -3.879   0.104   4.237
  294    HZ3  LYS  43          3HZ       LYS  43  -3.493  -1.305   3.468
  295    H    CYS  44           H        CYS  44  -2.531   2.979  -2.132
  296    HA   CYS  44           HA       CYS  44  -1.887   0.685  -3.916
  297    HB2  CYS  44          1HB       CYS  44  -2.439   2.603  -5.377
  298    HB3  CYS  44          2HB       CYS  44  -1.264   3.601  -4.529
  Start of MODEL    5
    1    H1   LYS   1          1H        LYS   1   1.108  -0.303   0.086
    2    H2   LYS   1          2H        LYS   1   2.373   0.159  -0.838
    3    H3   LYS   1          3H        LYS   1   0.917  -0.112  -1.524
    4    HA   LYS   1           HA       LYS   1   2.617  -2.097  -0.241
    5    HB2  LYS   1          1HB       LYS   1  -0.110  -2.317  -1.570
    6    HB3  LYS   1          2HB       LYS   1   0.918  -3.704  -1.237
    7    HG2  LYS   1          1HG       LYS   1   0.837  -3.191   1.177
    8    HG3  LYS   1          2HG       LYS   1  -0.203  -1.799   0.839
    9    HD2  LYS   1          1HD       LYS   1  -1.899  -3.305  -0.153
   10    HD3  LYS   1          2HD       LYS   1  -0.858  -4.697   0.183
   11    HE2  LYS   1          1HE       LYS   1  -0.980  -4.221   2.599
   12    HE3  LYS   1          2HE       LYS   1  -1.983  -2.803   2.281
   13    HZ1  LYS   1          1HZ       LYS   1  -3.298  -4.693   2.902
   14    HZ2  LYS   1          2HZ       LYS   1  -3.645  -4.261   1.348
   15    HZ3  LYS   1          3HZ       LYS   1  -2.708  -5.585   1.647
   16    H    TYR   2           H        TYR   2   1.376  -0.603  -3.190
   17    HA   TYR   2           HA       TYR   2   2.608  -2.383  -5.044
   18    HB2  TYR   2          1HB       TYR   2   0.870  -0.802  -5.732
   19    HB3  TYR   2          2HB       TYR   2   1.890   0.563  -5.301
   20    HD1  TYR   2           HD1      TYR   2   1.539  -2.293  -7.643
   21    HD2  TYR   2           HD2      TYR   2   3.515   1.419  -6.791
   22    HE1  TYR   2           HE1      TYR   2   2.464  -2.259  -9.935
   23    HE2  TYR   2           HE2      TYR   2   4.440   1.453  -9.083
   24    HH   TYR   2           HH       TYR   2   3.748  -1.170 -11.384
   25    H    TYR   3           H        TYR   3   3.737   0.768  -3.774
   26    HA   TYR   3           HA       TYR   3   6.507  -0.124  -4.450
   27    HB2  TYR   3          1HB       TYR   3   5.637   1.687  -5.985
   28    HB3  TYR   3          2HB       TYR   3   5.475   2.735  -4.583
   29    HD1  TYR   3           HD1      TYR   3   8.147   0.383  -5.781
   30    HD2  TYR   3           HD2      TYR   3   7.096   4.353  -4.538
   31    HE1  TYR   3           HE1      TYR   3  10.503   1.085  -6.031
   32    HE2  TYR   3           HE2      TYR   3   9.452   5.055  -4.789
   33    HH   TYR   3           HH       TYR   3  11.958   2.751  -5.823
   34    H    GLY   4           H        GLY   4   5.167   2.703  -2.713
   35    HA2  GLY   4          1HA       GLY   4   4.875   2.904  -0.379
   36    HA3  GLY   4          2HA       GLY   4   5.718   1.385  -0.142
   37    H    ASN   5           H        ASN   5   7.636   2.976  -2.257
   38    HA   ASN   5           HA       ASN   5   9.297   4.099  -0.043
   39    HB2  ASN   5          1HB       ASN   5  10.087   2.890  -2.710
   40    HB3  ASN   5          2HB       ASN   5  11.209   3.733  -1.652
   41   HD21  ASN   5          1HD2      ASN   5  10.556  -0.119  -1.101
   42   HD22  ASN   5          2HD2      ASN   5  10.204   0.776  -2.541
   43    H    GLY   6           H        GLY   6   7.145   5.502  -1.441
   44    HA2  GLY   6          1HA       GLY   6   7.798   8.046  -1.563
   45    HA3  GLY   6          2HA       GLY   6   8.689   7.536  -2.984
   46    H    VAL   7           H        VAL   7   6.331   5.411  -3.154
   47    HA   VAL   7           HA       VAL   7   4.303   7.265  -4.315
   48    HB   VAL   7           HB       VAL   7   5.305   4.690  -5.602
   49   HG11  VAL   7          1HG1      VAL   7   3.866   5.325  -7.477
   50   HG12  VAL   7          2HG1      VAL   7   2.935   5.056  -5.984
   51   HG13  VAL   7          3HG1      VAL   7   3.263   6.714  -6.542
   52   HG21  VAL   7          1HG2      VAL   7   6.187   6.195  -7.357
   53   HG22  VAL   7          2HG2      VAL   7   5.657   7.605  -6.411
   54   HG23  VAL   7          3HG2      VAL   7   6.933   6.539  -5.779
   55    H    THR   8           H        THR   8   2.512   7.003  -3.177
   56    HA   THR   8           HA       THR   8   1.279   4.362  -3.105
   57    HB   THR   8           HB       THR   8   2.701   4.290  -1.048
   58    HG1  THR   8           HG1      THR   8   0.382   3.460  -1.281
   59   HG21  THR   8          1HG2      THR   8   2.122   5.764   0.840
   60   HG22  THR   8          2HG2      THR   8   2.704   6.710  -0.551
   61   HG23  THR   8          3HG2      THR   8   0.964   6.635  -0.191
   62    H    CYS   9           H        CYS   9  -0.940   4.402  -2.566
   63    HA   CYS   9           HA       CYS   9  -2.088   7.152  -2.334
   64    HB2  CYS   9          1HB       CYS   9  -3.118   4.759  -3.896
   65    HB3  CYS   9          2HB       CYS   9  -4.114   6.159  -3.522
   66    H    GLY  10           H        GLY  10  -3.848   7.448  -0.993
   67    HA2  GLY  10          1HA       GLY  10  -4.242   5.274   1.012
   68    HA3  GLY  10          2HA       GLY  10  -4.551   6.980   1.279
   69    H    LYS  11           H        LYS  11  -6.668   7.264   1.611
   70    HA   LYS  11           HA       LYS  11  -8.571   5.389   0.343
   71    HB2  LYS  11          1HB       LYS  11  -8.660   5.864   2.808
   72    HB3  LYS  11          2HB       LYS  11  -9.062   7.537   2.445
   73    HG2  LYS  11          1HG       LYS  11 -11.143   6.839   1.366
   74    HG3  LYS  11          2HG       LYS  11 -10.731   5.138   1.635
   75    HD2  LYS  11          1HD       LYS  11 -10.715   5.546   4.088
   76    HD3  LYS  11          2HD       LYS  11 -11.175   7.230   3.797
   77    HE2  LYS  11          1HE       LYS  11 -13.258   6.468   2.698
   78    HE3  LYS  11          2HE       LYS  11 -12.801   4.789   2.993
   79    HZ1  LYS  11          1HZ       LYS  11 -14.317   5.595   4.648
   80    HZ2  LYS  11          2HZ       LYS  11 -12.864   5.248   5.347
   81    HZ3  LYS  11          3HZ       LYS  11 -13.292   6.816   5.071
   82    H    HIS  12           H        HIS  12  -8.251   8.930   0.790
   83    HA   HIS  12           HA       HIS  12  -9.817   9.262  -1.744
   84    HB2  HIS  12          1HB       HIS  12 -10.019  10.902   0.808
   85    HB3  HIS  12          2HB       HIS  12 -10.746  11.357  -0.727
   86    HD1  HIS  12           HD1      HIS  12 -12.323   9.182  -1.737
   87    HD2  HIS  12           HD2      HIS  12 -11.880   9.531   2.440
   88    HE1  HIS  12           HE1      HIS  12 -14.226   8.005  -0.756
   89    H    SER  13           H        SER  13  -6.857   9.270  -0.944
   90    HA   SER  13           HA       SER  13  -6.150  11.453  -2.715
   91    HB2  SER  13          1HB       SER  13  -4.847  12.774  -1.176
   92    HB3  SER  13          2HB       SER  13  -6.494  12.673  -0.572
   93    HG   SER  13           HG       SER  13  -4.640  12.271   0.883
   94    H    CYS  14           H        CYS  14  -3.872  11.518  -3.212
   95    HA   CYS  14           HA       CYS  14  -2.474   8.991  -2.437
   96    HB2  CYS  14          1HB       CYS  14  -2.334  10.561  -5.040
   97    HB3  CYS  14          2HB       CYS  14  -1.264   9.226  -4.634
   98    H    SER  15           H        SER  15  -0.106   9.101  -2.474
   99    HA   SER  15           HA       SER  15   0.958  11.836  -1.978
  100    HB2  SER  15          1HB       SER  15   0.419  10.898   0.215
  101    HB3  SER  15          2HB       SER  15   1.311   9.432  -0.158
  102    HG   SER  15           HG       SER  15   2.999  11.240  -0.653
  103    H    VAL  16           H        VAL  16   2.380  12.068  -3.564
  104    HA   VAL  16           HA       VAL  16   4.346   9.850  -3.967
  105    HB   VAL  16           HB       VAL  16   3.309  11.855  -6.017
  106   HG11  VAL  16          1HG1      VAL  16   4.658  10.604  -7.631
  107   HG12  VAL  16          2HG1      VAL  16   5.660  11.359  -6.369
  108   HG13  VAL  16          3HG1      VAL  16   5.319   9.613  -6.309
  109   HG21  VAL  16          1HG2      VAL  16   2.353   9.849  -7.105
  110   HG22  VAL  16          2HG2      VAL  16   2.943   8.841  -5.761
  111   HG23  VAL  16          3HG2      VAL  16   1.690  10.072  -5.468
  112    H    ASP  17           H        ASP  17   6.379  10.319  -3.510
  113    HA   ASP  17           HA       ASP  17   7.096  12.982  -2.624
  114    HB2  ASP  17          1HB       ASP  17   8.701  10.433  -3.035
  115    HB3  ASP  17          2HB       ASP  17   9.422  11.928  -2.458
  116    H    TRP  18           H        TRP  18   8.628  14.395  -3.475
  117    HA   TRP  18           HA       TRP  18   8.570  14.722  -6.306
  118    HB2  TRP  18          1HB       TRP  18  10.381  15.919  -4.176
  119    HB3  TRP  18          2HB       TRP  18  10.414  16.413  -5.863
  120    HD1  TRP  18           HD1      TRP  18   8.608  17.045  -2.643
  121    HE1  TRP  18           HE1      TRP  18   6.669  18.717  -3.006
  122    HE3  TRP  18           HE3      TRP  18   8.529  17.058  -7.771
  123    HZ2  TRP  18           HZ2      TRP  18   5.309  19.876  -5.193
  124    HZ3  TRP  18           HZ3      TRP  18   6.883  18.470  -8.937
  125    HH2  TRP  18           HH2      TRP  18   5.297  19.861  -7.674
  126    H    GLY  19           H        GLY  19   9.774  13.958  -7.906
  127    HA2  GLY  19          1HA       GLY  19  11.896  13.194  -8.826
  128    HA3  GLY  19          2HA       GLY  19  12.347  12.598  -7.240
  129    H    LYS  20           H        LYS  20   9.405  11.618  -7.016
  130    HA   LYS  20           HA       LYS  20   9.875   9.051  -8.437
  131    HB2  LYS  20          1HB       LYS  20   7.861   9.756  -6.265
  132    HB3  LYS  20          2HB       LYS  20   8.104   8.158  -6.955
  133    HG2  LYS  20          1HG       LYS  20  10.239   9.705  -5.458
  134    HG3  LYS  20          2HG       LYS  20   9.177   8.490  -4.732
  135    HD2  LYS  20          1HD       LYS  20  10.032   6.808  -6.369
  136    HD3  LYS  20          2HD       LYS  20  11.145   8.029  -7.004
  137    HE2  LYS  20          1HE       LYS  20  12.204   8.230  -4.781
  138    HE3  LYS  20          2HE       LYS  20  11.087   7.026  -4.133
  139    HZ1  LYS  20          1HZ       LYS  20  13.188   6.058  -4.714
  140    HZ2  LYS  20          2HZ       LYS  20  12.003   5.432  -5.675
  141    HZ3  LYS  20          3HZ       LYS  20  13.047   6.557  -6.279
  142    H    ALA  21           H        ALA  21   8.333   8.073  -9.736
  143    HA   ALA  21           HA       ALA  21   6.652   9.964 -11.198
  144    HB1  ALA  21          1HB       ALA  21   6.149   8.020 -12.643
  145    HB2  ALA  21          2HB       ALA  21   7.900   8.231 -12.407
  146    HB3  ALA  21          3HB       ALA  21   7.027   6.963 -11.514
  147    H    THR  22           H        THR  22   4.460  10.044 -11.329
  148    HA   THR  22           HA       THR  22   3.038   9.067  -8.977
  149    HB   THR  22           HB       THR  22   1.063  10.216 -10.026
  150    HG1  THR  22           HG1      THR  22   1.195  10.952 -12.029
  151   HG21  THR  22          1HG2      THR  22   1.976  12.496  -9.838
  152   HG22  THR  22          2HG2      THR  22   2.610  11.450  -8.547
  153   HG23  THR  22          3HG2      THR  22   3.629  11.849  -9.949
  154    H    THR  23           H        THR  23   3.589   6.766  -9.587
  155    HA   THR  23           HA       THR  23   2.364   5.672 -11.977
  156    HB   THR  23           HB       THR  23   3.598   4.266  -9.570
  157    HG1  THR  23           HG1      THR  23   5.184   5.400 -10.606
  158   HG21  THR  23          1HG2      THR  23   3.765   2.327 -11.080
  159   HG22  THR  23          2HG2      THR  23   2.067   2.804 -10.842
  160   HG23  THR  23          3HG2      THR  23   2.910   3.236 -12.348
  161    H    CYS  24           H        CYS  24   1.646   5.510  -8.489
  162    HA   CYS  24           HA       CYS  24  -0.550   3.701  -8.738
  163    HB2  CYS  24          1HB       CYS  24   0.197   5.746  -6.624
  164    HB3  CYS  24          2HB       CYS  24  -1.223   4.720  -6.476
  165    H    ILE  25           H        ILE  25  -0.324   7.241  -8.834
  166    HA   ILE  25           HA       ILE  25  -3.136   7.753  -8.876
  167    HB   ILE  25           HB       ILE  25  -0.762   9.334  -9.936
  168   HG12  ILE  25          1HG1      ILE  25  -2.539   9.838  -7.543
  169   HG13  ILE  25          2HG1      ILE  25  -1.022   8.957  -7.461
  170   HG21  ILE  25          1HG2      ILE  25  -2.312  11.234 -10.148
  171   HG22  ILE  25          2HG2      ILE  25  -2.773   9.909 -11.241
  172   HG23  ILE  25          3HG2      ILE  25  -3.678  10.172  -9.733
  173   HD11  ILE  25          1HD1      ILE  25  -0.725  11.279  -6.804
  174   HD12  ILE  25          2HD1      ILE  25   0.182  10.928  -8.295
  175   HD13  ILE  25          3HD1      ILE  25  -1.355  11.822  -8.377
  176    H    ILE  26           H        ILE  26  -0.758   7.310 -11.504
  177    HA   ILE  26           HA       ILE  26  -2.594   7.539 -13.661
  178    HB   ILE  26           HB       ILE  26   0.005   5.987 -13.367
  179   HG12  ILE  26          1HG1      ILE  26  -0.605   8.487 -14.953
  180   HG13  ILE  26          2HG1      ILE  26  -0.007   8.512 -13.301
  181   HG21  ILE  26          1HG2      ILE  26  -0.040   5.723 -15.815
  182   HG22  ILE  26          2HG2      ILE  26  -1.408   4.877 -15.056
  183   HG23  ILE  26          3HG2      ILE  26  -1.668   6.440 -15.866
  184   HD11  ILE  26          1HD1      ILE  26   1.805   8.811 -14.894
  185   HD12  ILE  26          2HD1      ILE  26   2.006   7.286 -13.996
  186   HD13  ILE  26          3HD1      ILE  26   1.401   7.263 -15.670
  187    H    ASN  27           H        ASN  27  -1.616   4.734 -11.700
  188    HA   ASN  27           HA       ASN  27  -3.088   2.792 -13.191
  189    HB2  ASN  27          1HB       ASN  27  -2.114   2.883 -10.326
  190    HB3  ASN  27          2HB       ASN  27  -2.990   1.503 -10.974
  191   HD21  ASN  27          1HD2      ASN  27   0.661   0.926 -11.304
  192   HD22  ASN  27          2HD2      ASN  27  -0.416   1.290  -9.998
  193    H    ASN  28           H        ASN  28  -3.986   4.864 -10.457
  194    HA   ASN  28           HA       ASN  28  -6.587   3.721 -10.074
  195    HB2  ASN  28          1HB       ASN  28  -5.374   6.409  -9.405
  196    HB3  ASN  28          2HB       ASN  28  -7.060   6.048  -9.061
  197   HD21  ASN  28          1HD2      ASN  28  -5.199   5.279  -6.013
  198   HD22  ASN  28          2HD2      ASN  28  -5.591   6.670  -6.967
  199    H    GLY  29           H        GLY  29  -5.398   6.348 -12.142
  200    HA2  GLY  29          1HA       GLY  29  -7.913   7.141 -13.227
  201    HA3  GLY  29          2HA       GLY  29  -6.358   7.320 -14.016
  202    H    ALA  30           H        ALA  30  -5.508   4.731 -14.351
  203    HA   ALA  30           HA       ALA  30  -6.984   3.868 -16.622
  204    HB1  ALA  30          1HB       ALA  30  -5.546   1.856 -16.533
  205    HB2  ALA  30          2HB       ALA  30  -4.605   3.350 -16.307
  206    HB3  ALA  30          3HB       ALA  30  -5.001   2.328 -14.907
  207    H    LEU  31           H        LEU  31  -7.004   2.770 -13.246
  208    HA   LEU  31           HA       LEU  31  -8.763   0.566 -13.585
  209    HB2  LEU  31          1HB       LEU  31  -7.518   0.974 -11.515
  210    HB3  LEU  31          2HB       LEU  31  -8.425   2.464 -11.234
  211    HG   LEU  31           HG       LEU  31 -10.504   1.118 -10.968
  212   HD11  LEU  31          1HD1      LEU  31 -10.314  -1.319 -10.748
  213   HD12  LEU  31          2HD1      LEU  31  -9.870  -0.769 -12.382
  214   HD13  LEU  31          3HD1      LEU  31  -8.601  -1.228 -11.221
  215   HD21  LEU  31          1HD2      LEU  31  -9.876   0.167  -8.775
  216   HD22  LEU  31          2HD2      LEU  31  -8.156   0.278  -9.218
  217   HD23  LEU  31          3HD2      LEU  31  -9.121   1.761  -9.021
  218    H    ALA  32           H        ALA  32  -9.450   3.996 -12.849
  219    HA   ALA  32           HA       ALA  32 -12.273   3.740 -12.741
  220    HB1  ALA  32          1HB       ALA  32 -12.308   6.174 -13.180
  221    HB2  ALA  32          2HB       ALA  32 -11.085   5.742 -11.961
  222    HB3  ALA  32          3HB       ALA  32 -10.588   6.111 -13.629
  223    H    TRP  33           H        TRP  33 -10.061   4.060 -15.461
  224    HA   TRP  33           HA       TRP  33 -12.220   4.467 -17.386
  225    HB2  TRP  33          1HB       TRP  33  -9.278   3.797 -17.788
  226    HB3  TRP  33          2HB       TRP  33 -10.401   4.212 -19.074
  227    HD1  TRP  33           HD1      TRP  33 -11.799   6.629 -17.205
  228    HE1  TRP  33           HE1      TRP  33 -10.534   8.880 -17.082
  229    HE3  TRP  33           HE3      TRP  33  -7.147   4.995 -18.618
  230    HZ2  TRP  33           HZ2      TRP  33  -7.906   9.812 -17.528
  231    HZ3  TRP  33           HZ3      TRP  33  -5.300   6.618 -18.751
  232    HH2  TRP  33           HH2      TRP  33  -5.666   8.990 -18.214
  233    H    ALA  34           H        ALA  34 -10.415   1.776 -16.052
  234    HA   ALA  34           HA       ALA  34 -11.117  -0.042 -18.216
  235    HB1  ALA  34          1HB       ALA  34 -10.063  -1.762 -16.785
  236    HB2  ALA  34          2HB       ALA  34  -9.024  -0.329 -16.967
  237    HB3  ALA  34          3HB       ALA  34  -9.942  -0.578 -15.463
  238    H    THR  35           H        THR  35 -11.964   0.054 -14.729
  239    HA   THR  35           HA       THR  35 -14.349  -1.608 -15.429
  240    HB   THR  35           HB       THR  35 -14.206  -2.567 -13.159
  241    HG1  THR  35           HG1      THR  35 -13.080  -0.614 -12.314
  242   HG21  THR  35          1HG2      THR  35 -12.132  -3.866 -13.452
  243   HG22  THR  35          2HG2      THR  35 -12.992  -3.682 -15.000
  244   HG23  THR  35          3HG2      THR  35 -11.559  -2.687 -14.653
  245    H    GLY  36           H        GLY  36 -13.170   1.278 -13.928
  246    HA2  GLY  36          1HA       GLY  36 -14.894   3.079 -13.708
  247    HA3  GLY  36          2HA       GLY  36 -15.950   1.883 -12.980
  248    H    GLY  37           H        GLY  37 -15.130   4.385 -11.817
  249    HA2  GLY  37          1HA       GLY  37 -14.746   4.051  -9.198
  250    HA3  GLY  37          2HA       GLY  37 -13.128   3.656  -9.747
  251    H    HIS  38           H        HIS  38 -12.358   5.484  -8.543
  252    HA   HIS  38           HA       HIS  38 -12.609   8.028 -10.073
  253    HB2  HIS  38          1HB       HIS  38 -12.924   7.805  -7.056
  254    HB3  HIS  38          2HB       HIS  38 -12.782   9.309  -7.957
  255    HD2  HIS  38           HD2      HIS  38 -15.478   6.775  -6.911
  256    HE1  HIS  38           HE1      HIS  38 -17.289   9.501  -9.638
  257    HE2  HIS  38           HE2      HIS  38 -17.702   7.627  -7.961
  258    H    GLN  39           H        GLN  39 -10.715   8.845 -10.543
  259    HA   GLN  39           HA       GLN  39  -8.307   7.549  -9.726
  260    HB2  GLN  39          1HB       GLN  39  -8.585   8.805 -11.866
  261    HB3  GLN  39          2HB       GLN  39  -8.659  10.311 -10.962
  262    HG2  GLN  39          1HG       GLN  39  -6.381  10.005 -10.178
  263    HG3  GLN  39          2HG       GLN  39  -6.297   8.420 -10.996
  264   HE21  GLN  39          1HE2      GLN  39  -4.773  10.056 -13.670
  265   HE22  GLN  39          2HE2      GLN  39  -4.641   8.892 -12.394
  266    H    GLY  40           H        GLY  40  -7.242   7.650  -7.901
  267    HA2  GLY  40          1HA       GLY  40  -5.956   8.916  -6.298
  268    HA3  GLY  40          2HA       GLY  40  -7.068  10.261  -6.479
  269    H    ASN  41           H        ASN  41  -9.065   7.682  -6.428
  270    HA   ASN  41           HA       ASN  41  -9.398   7.866  -3.463
  271    HB2  ASN  41          1HB       ASN  41 -11.451   7.515  -5.668
  272    HB3  ASN  41          2HB       ASN  41 -11.812   7.296  -3.960
  273   HD21  ASN  41          1HD2      ASN  41 -11.430  11.003  -5.576
  274   HD22  ASN  41          2HD2      ASN  41 -11.073   9.570  -6.479
  275    H    HIS  42           H        HIS  42  -7.674   5.995  -4.888
  276    HA   HIS  42           HA       HIS  42  -8.875   3.529  -3.717
  277    HB2  HIS  42          1HB       HIS  42  -7.469   3.609  -6.412
  278    HB3  HIS  42          2HB       HIS  42  -8.075   2.175  -5.594
  279    HD1  HIS  42           HD1      HIS  42 -10.788   2.158  -5.204
  280    HD2  HIS  42           HD2      HIS  42  -9.394   4.873  -8.110
  281    HE1  HIS  42           HE1      HIS  42 -12.712   2.676  -6.620
  282    H    LYS  43           H        LYS  43  -7.503   2.231  -2.649
  283    HA   LYS  43           HA       LYS  43  -5.006   3.425  -1.824
  284    HB2  LYS  43          1HB       LYS  43  -6.232   0.694  -1.283
  285    HB3  LYS  43          2HB       LYS  43  -4.737   1.256  -0.547
  286    HG2  LYS  43          1HG       LYS  43  -5.957   3.130   0.504
  287    HG3  LYS  43          2HG       LYS  43  -7.460   2.551  -0.229
  288    HD2  LYS  43          1HD       LYS  43  -7.223   0.404   0.979
  289    HD3  LYS  43          2HD       LYS  43  -5.721   0.985   1.714
  290    HE2  LYS  43          1HE       LYS  43  -6.956   2.830   2.796
  291    HE3  LYS  43          2HE       LYS  43  -8.457   2.268   2.054
  292    HZ1  LYS  43          1HZ       LYS  43  -8.242   1.497   4.301
  293    HZ2  LYS  43          2HZ       LYS  43  -8.219   0.212   3.266
  294    HZ3  LYS  43          3HZ       LYS  43  -6.818   0.736   3.961
  295    H    CYS  44           H        CYS  44  -2.915   2.825  -2.185
  296    HA   CYS  44           HA       CYS  44  -2.397   0.655  -4.127
  297    HB2  CYS  44          1HB       CYS  44  -2.710   2.692  -5.509
  298    HB3  CYS  44          2HB       CYS  44  -1.476   3.521  -4.572
  Start of MODEL    6
    1    H1   LYS   1          1H        LYS   1   5.479  -3.242   0.982
    2    H2   LYS   1          2H        LYS   1   4.662  -1.957   0.391
    3    H3   LYS   1          3H        LYS   1   4.920  -3.264  -0.552
    4    HA   LYS   1           HA       LYS   1   6.953  -1.457   0.488
    5    HB2  LYS   1          1HB       LYS   1   7.720  -3.817   0.303
    6    HB3  LYS   1          2HB       LYS   1   7.215  -3.847  -1.381
    7    HG2  LYS   1          1HG       LYS   1   8.863  -2.116  -1.932
    8    HG3  LYS   1          2HG       LYS   1   9.350  -2.025  -0.233
    9    HD2  LYS   1          1HD       LYS   1  10.054  -4.389  -0.296
   10    HD3  LYS   1          2HD       LYS   1   9.543  -4.502  -1.987
   11    HE2  LYS   1          1HE       LYS   1  11.187  -2.755  -2.599
   12    HE3  LYS   1          2HE       LYS   1  11.701  -2.648  -0.912
   13    HZ1  LYS   1          1HZ       LYS   1  13.151  -4.046  -2.189
   14    HZ2  LYS   1          2HZ       LYS   1  12.386  -4.944  -1.036
   15    HZ3  LYS   1          3HZ       LYS   1  11.908  -5.044  -2.611
   16    H    TYR   2           H        TYR   2   7.393   0.261  -0.700
   17    HA   TYR   2           HA       TYR   2   6.294   0.335  -3.480
   18    HB2  TYR   2          1HB       TYR   2   5.819   2.707  -3.195
   19    HB3  TYR   2          2HB       TYR   2   4.995   1.792  -1.941
   20    HD1  TYR   2           HD1      TYR   2   7.788   4.085  -2.663
   21    HD2  TYR   2           HD2      TYR   2   5.576   2.022   0.379
   22    HE1  TYR   2           HE1      TYR   2   8.839   5.506  -0.935
   23    HE2  TYR   2           HE2      TYR   2   6.628   3.443   2.107
   24    HH   TYR   2           HH       TYR   2   9.053   5.894   1.248
   25    H    TYR   3           H        TYR   3   9.047   0.100  -1.762
   26    HA   TYR   3           HA       TYR   3  10.615   2.255  -2.892
   27    HB2  TYR   3          1HB       TYR   3  11.426  -0.330  -1.502
   28    HB3  TYR   3          2HB       TYR   3  12.557   0.933  -1.971
   29    HD1  TYR   3           HD1      TYR   3   9.962  -0.074   0.387
   30    HD2  TYR   3           HD2      TYR   3  12.534   3.126  -0.859
   31    HE1  TYR   3           HE1      TYR   3   9.550   1.092   2.528
   32    HE2  TYR   3           HE2      TYR   3  12.121   4.292   1.281
   33    HH   TYR   3           HH       TYR   3   9.916   2.938   3.717
   34    H    GLY   4           H        GLY   4  12.022   2.295  -4.578
   35    HA2  GLY   4          1HA       GLY   4  13.029   1.294  -6.552
   36    HA3  GLY   4          2HA       GLY   4  11.873  -0.021  -6.456
   37    H    ASN   5           H        ASN   5   9.592   1.780  -5.892
   38    HA   ASN   5           HA       ASN   5   9.283   3.001  -8.592
   39    HB2  ASN   5          1HB       ASN   5   7.252   2.217  -6.481
   40    HB3  ASN   5          2HB       ASN   5   6.845   3.110  -7.939
   41   HD21  ASN   5          1HD2      ASN   5   6.376  -0.607  -8.348
   42   HD22  ASN   5          2HD2      ASN   5   5.910   0.509  -7.109
   43    H    GLY   6           H        GLY   6   8.820   3.716  -5.130
   44    HA2  GLY   6          1HA       GLY   6   9.388   5.738  -4.064
   45    HA3  GLY   6          2HA       GLY   6   9.702   6.472  -5.625
   46    H    VAL   7           H        VAL   7   6.721   4.724  -5.111
   47    HA   VAL   7           HA       VAL   7   5.227   7.175  -4.431
   48    HB   VAL   7           HB       VAL   7   5.377   7.237  -6.907
   49   HG11  VAL   7          1HG1      VAL   7   4.323   5.489  -8.256
   50   HG12  VAL   7          2HG1      VAL   7   5.705   4.867  -7.323
   51   HG13  VAL   7          3HG1      VAL   7   4.042   4.525  -6.787
   52   HG21  VAL   7          1HG2      VAL   7   2.947   7.346  -7.356
   53   HG22  VAL   7          2HG2      VAL   7   2.630   6.444  -5.856
   54   HG23  VAL   7          3HG2      VAL   7   3.343   8.072  -5.781
   55    H    THR   8           H        THR   8   3.401   6.783  -3.308
   56    HA   THR   8           HA       THR   8   2.157   4.121  -3.391
   57    HB   THR   8           HB       THR   8   3.946   3.826  -1.689
   58    HG1  THR   8           HG1      THR   8   1.674   2.971  -1.493
   59   HG21  THR   8          1HG2      THR   8   3.827   5.098   0.417
   60   HG22  THR   8          2HG2      THR   8   4.123   6.181  -0.964
   61   HG23  THR   8          3HG2      THR   8   2.498   6.079  -0.245
   62    H    CYS   9           H        CYS   9   0.070   4.049  -2.566
   63    HA   CYS   9           HA       CYS   9  -1.040   6.693  -1.726
   64    HB2  CYS   9          1HB       CYS   9  -2.288   4.646  -3.600
   65    HB3  CYS   9          2HB       CYS   9  -3.150   6.021  -2.924
   66    H    GLY  10           H        GLY  10  -2.712   6.677  -0.227
   67    HA2  GLY  10          1HA       GLY  10  -3.037   4.097   1.246
   68    HA3  GLY  10          2HA       GLY  10  -3.256   5.693   1.937
   69    H    LYS  11           H        LYS  11  -5.339   5.808   2.533
   70    HA   LYS  11           HA       LYS  11  -7.455   4.538   0.981
   71    HB2  LYS  11          1HB       LYS  11  -7.479   6.364   3.413
   72    HB3  LYS  11          2HB       LYS  11  -8.943   5.732   2.673
   73    HG2  LYS  11          1HG       LYS  11  -8.192   3.429   3.127
   74    HG3  LYS  11          2HG       LYS  11  -6.709   4.058   3.858
   75    HD2  LYS  11          1HD       LYS  11  -8.060   5.262   5.552
   76    HD3  LYS  11          2HD       LYS  11  -9.539   4.618   4.822
   77    HE2  LYS  11          1HE       LYS  11  -8.800   2.320   5.317
   78    HE3  LYS  11          2HE       LYS  11  -7.297   2.940   6.009
   79    HZ1  LYS  11          1HZ       LYS  11  -8.912   2.453   7.697
   80    HZ2  LYS  11          2HZ       LYS  11  -8.601   4.073   7.676
   81    HZ3  LYS  11          3HZ       LYS  11 -10.003   3.494   7.031
   82    H    HIS  12           H        HIS  12  -6.569   7.920   1.740
   83    HA   HIS  12           HA       HIS  12  -7.892   8.759  -0.789
   84    HB2  HIS  12          1HB       HIS  12  -8.529   9.945   1.938
   85    HB3  HIS  12          2HB       HIS  12  -9.026  10.631   0.398
   86    HD1  HIS  12           HD1      HIS  12 -10.556   8.895  -1.133
   87    HD2  HIS  12           HD2      HIS  12 -10.407   8.084   3.000
   88    HE1  HIS  12           HE1      HIS  12 -12.518   7.523  -0.644
   89    H    SER  13           H        SER  13  -5.135   8.500  -0.133
   90    HA   SER  13           HA       SER  13  -4.332  11.176  -0.939
   91    HB2  SER  13          1HB       SER  13  -2.832  11.654   0.887
   92    HB3  SER  13          2HB       SER  13  -4.444  11.406   1.541
   93    HG   SER  13           HG       SER  13  -2.331  10.251   2.303
   94    H    CYS  14           H        CYS  14  -2.169  11.287  -1.689
   95    HA   CYS  14           HA       CYS  14  -0.774   8.658  -1.869
   96    HB2  CYS  14          1HB       CYS  14  -1.262  10.602  -4.159
   97    HB3  CYS  14          2HB       CYS  14  -0.174   9.223  -4.237
   98    H    SER  15           H        SER  15   1.500   8.796  -2.323
   99    HA   SER  15           HA       SER  15   2.712  11.488  -2.049
  100    HB2  SER  15          1HB       SER  15   2.587  10.637   0.239
  101    HB3  SER  15          2HB       SER  15   3.344   9.128  -0.249
  102    HG   SER  15           HG       SER  15   5.166  10.290  -0.838
  103    H    VAL  16           H        VAL  16   4.687  11.724  -3.011
  104    HA   VAL  16           HA       VAL  16   5.887   9.344  -4.305
  105    HB   VAL  16           HB       VAL  16   4.186  10.236  -5.901
  106   HG11  VAL  16          1HG1      VAL  16   4.515  12.437  -6.922
  107   HG12  VAL  16          2HG1      VAL  16   4.177  12.554  -5.178
  108   HG13  VAL  16          3HG1      VAL  16   5.839  12.767  -5.780
  109   HG21  VAL  16          1HG2      VAL  16   5.725  10.467  -7.825
  110   HG22  VAL  16          2HG2      VAL  16   7.083  10.733  -6.705
  111   HG23  VAL  16          3HG2      VAL  16   6.247   9.161  -6.736
  112    H    ASP  17           H        ASP  17   8.045   9.476  -4.587
  113    HA   ASP  17           HA       ASP  17   9.453  11.664  -3.308
  114    HB2  ASP  17          1HB       ASP  17  10.404   9.256  -4.905
  115    HB3  ASP  17          2HB       ASP  17  11.500  10.425  -4.180
  116    H    TRP  18           H        TRP  18  10.921  13.118  -4.220
  117    HA   TRP  18           HA       TRP  18  10.017  14.349  -6.629
  118    HB2  TRP  18          1HB       TRP  18  12.590  14.676  -5.039
  119    HB3  TRP  18          2HB       TRP  18  12.170  15.684  -6.416
  120    HD1  TRP  18           HD1      TRP  18  11.613  15.355  -2.726
  121    HE1  TRP  18           HE1      TRP  18   9.980  17.178  -1.892
  122    HE3  TRP  18           HE3      TRP  18   9.923  17.035  -7.267
  123    HZ2  TRP  18           HZ2      TRP  18   8.222  19.070  -3.032
  124    HZ3  TRP  18           HZ3      TRP  18   8.263  18.854  -7.326
  125    HH2  TRP  18           HH2      TRP  18   7.424  19.861  -5.246
  126    H    GLY  19           H        GLY  19  10.420  13.959  -8.685
  127    HA2  GLY  19          1HA       GLY  19  11.921  13.491 -10.518
  128    HA3  GLY  19          2HA       GLY  19  12.939  12.558  -9.438
  129    H    LYS  20           H        LYS  20  10.086  11.553  -8.412
  130    HA   LYS  20           HA       LYS  20  10.022   9.280 -10.332
  131    HB2  LYS  20          1HB       LYS  20   8.824   9.494  -7.542
  132    HB3  LYS  20          2HB       LYS  20   8.852   8.052  -8.548
  133    HG2  LYS  20          1HG       LYS  20  11.300   9.468  -7.448
  134    HG3  LYS  20          2HG       LYS  20  10.566   8.000  -6.788
  135    HD2  LYS  20          1HD       LYS  20  10.965   6.861  -8.981
  136    HD3  LYS  20          2HD       LYS  20  11.791   8.318  -9.552
  137    HE2  LYS  20          1HE       LYS  20  13.402   8.100  -7.650
  138    HE3  LYS  20          2HE       LYS  20  12.613   6.590  -7.190
  139    HZ1  LYS  20          1HZ       LYS  20  14.545   6.200  -8.533
  140    HZ2  LYS  20          2HZ       LYS  20  13.197   5.696  -9.338
  141    HZ3  LYS  20          3HZ       LYS  20  13.937   7.107  -9.768
  142    H    ALA  21           H        ALA  21   8.084   8.462 -11.150
  143    HA   ALA  21           HA       ALA  21   6.060  10.568 -11.552
  144    HB1  ALA  21          1HB       ALA  21   5.167   9.044 -13.285
  145    HB2  ALA  21          2HB       ALA  21   6.903   9.363 -13.518
  146    HB3  ALA  21          3HB       ALA  21   6.367   7.819 -12.814
  147    H    THR  22           H        THR  22   3.913  10.424 -11.054
  148    HA   THR  22           HA       THR  22   3.252   8.705  -8.799
  149    HB   THR  22           HB       THR  22   0.985   9.798  -8.993
  150    HG1  THR  22           HG1      THR  22   1.122  11.700 -10.521
  151   HG21  THR  22          1HG2      THR  22   1.768  12.046  -8.361
  152   HG22  THR  22          2HG2      THR  22   2.775  10.787  -7.608
  153   HG23  THR  22          3HG2      THR  22   3.376  11.678  -9.025
  154    H    THR  23           H        THR  23   3.726   6.702 -10.063
  155    HA   THR  23           HA       THR  23   1.999   6.008 -12.275
  156    HB   THR  23           HB       THR  23   3.020   3.758 -12.087
  157    HG1  THR  23           HG1      THR  23   3.153   3.691  -9.784
  158   HG21  THR  23          1HG2      THR  23   5.366   4.428 -12.425
  159   HG22  THR  23          2HG2      THR  23   4.259   5.551 -13.249
  160   HG23  THR  23          3HG2      THR  23   5.019   6.019 -11.710
  161    H    CYS  24           H        CYS  24   1.798   5.693  -8.815
  162    HA   CYS  24           HA       CYS  24  -0.209   3.654  -8.713
  163    HB2  CYS  24          1HB       CYS  24   0.517   5.926  -6.836
  164    HB3  CYS  24          2HB       CYS  24  -0.773   4.788  -6.477
  165    H    ILE  25           H        ILE  25  -0.428   7.225  -8.745
  166    HA   ILE  25           HA       ILE  25  -3.283   7.331  -8.801
  167    HB   ILE  25           HB       ILE  25  -1.154   9.290  -9.742
  168   HG12  ILE  25          1HG1      ILE  25  -2.998   9.390  -7.347
  169   HG13  ILE  25          2HG1      ILE  25  -1.361   8.754  -7.297
  170   HG21  ILE  25          1HG2      ILE  25  -2.960  10.958  -9.875
  171   HG22  ILE  25          2HG2      ILE  25  -3.218   9.641 -11.043
  172   HG23  ILE  25          3HG2      ILE  25  -4.161   9.691  -9.535
  173   HD11  ILE  25          1HD1      ILE  25  -1.433  11.054  -6.512
  174   HD12  ILE  25          2HD1      ILE  25  -0.479  10.933  -8.010
  175   HD13  ILE  25          3HD1      ILE  25  -2.137  11.579  -8.060
  176    H    ILE  26           H        ILE  26  -0.838   7.212 -11.382
  177    HA   ILE  26           HA       ILE  26  -2.608   7.474 -13.583
  178    HB   ILE  26           HB       ILE  26   0.043   6.011 -13.286
  179   HG12  ILE  26          1HG1      ILE  26  -0.616   8.582 -14.733
  180   HG13  ILE  26          2HG1      ILE  26  -0.070   8.524 -13.065
  181   HG21  ILE  26          1HG2      ILE  26   0.092   5.900 -15.745
  182   HG22  ILE  26          2HG2      ILE  26  -1.267   4.956 -15.090
  183   HG23  ILE  26          3HG2      ILE  26  -1.562   6.556 -15.812
  184   HD11  ILE  26          1HD1      ILE  26   1.776   8.992 -14.575
  185   HD12  ILE  26          2HD1      ILE  26   2.010   7.423 -13.770
  186   HD13  ILE  26          3HD1      ILE  26   1.458   7.483 -15.461
  187    H    ASN  27           H        ASN  27  -1.511   4.574 -11.817
  188    HA   ASN  27           HA       ASN  27  -2.977   2.708 -13.422
  189    HB2  ASN  27          1HB       ASN  27  -1.885   2.599 -10.602
  190    HB3  ASN  27          2HB       ASN  27  -2.758   1.251 -11.317
  191   HD21  ASN  27          1HD2      ASN  27   0.905   0.837 -11.841
  192   HD22  ASN  27          2HD2      ASN  27  -0.108   1.099 -10.461
  193    H    ASN  28           H        ASN  28  -3.810   4.488 -10.465
  194    HA   ASN  28           HA       ASN  28  -6.366   3.271 -10.082
  195    HB2  ASN  28          1HB       ASN  28  -5.220   5.958  -9.291
  196    HB3  ASN  28          2HB       ASN  28  -6.866   5.491  -8.886
  197   HD21  ASN  28          1HD2      ASN  28  -4.676   4.635  -6.044
  198   HD22  ASN  28          2HD2      ASN  28  -5.100   6.074  -6.908
  199    H    GLY  29           H        GLY  29  -5.337   6.068 -12.009
  200    HA2  GLY  29          1HA       GLY  29  -7.931   6.842 -12.924
  201    HA3  GLY  29          2HA       GLY  29  -6.415   7.169 -13.742
  202    H    ALA  30           H        ALA  30  -5.485   4.593 -14.253
  203    HA   ALA  30           HA       ALA  30  -6.915   3.887 -16.600
  204    HB1  ALA  30          1HB       ALA  30  -5.483   1.870 -16.622
  205    HB2  ALA  30          2HB       ALA  30  -4.545   3.342 -16.268
  206    HB3  ALA  30          3HB       ALA  30  -4.974   2.222 -14.954
  207    H    LEU  31           H        LEU  31  -6.993   2.523 -13.320
  208    HA   LEU  31           HA       LEU  31  -8.809   0.396 -13.920
  209    HB2  LEU  31          1HB       LEU  31  -8.231   1.919 -11.359
  210    HB3  LEU  31          2HB       LEU  31  -9.310   0.522 -11.435
  211    HG   LEU  31           HG       LEU  31  -6.369   0.452 -12.194
  212   HD11  LEU  31          1HD1      LEU  31  -6.057  -0.674 -10.036
  213   HD12  LEU  31          2HD1      LEU  31  -6.655   0.988  -9.829
  214   HD13  LEU  31          3HD1      LEU  31  -7.767  -0.389  -9.639
  215   HD21  LEU  31          1HD2      LEU  31  -6.721  -1.991 -12.067
  216   HD22  LEU  31          2HD2      LEU  31  -8.442  -1.725 -11.699
  217   HD23  LEU  31          3HD2      LEU  31  -7.788  -1.254 -13.285
  218    H    ALA  32           H        ALA  32  -9.295   3.768 -12.902
  219    HA   ALA  32           HA       ALA  32 -12.137   3.623 -12.685
  220    HB1  ALA  32          1HB       ALA  32 -12.065   6.085 -12.917
  221    HB2  ALA  32          2HB       ALA  32 -10.837   5.494 -11.773
  222    HB3  ALA  32          3HB       ALA  32 -10.361   5.980 -13.416
  223    H    TRP  33           H        TRP  33  -9.975   4.053 -15.428
  224    HA   TRP  33           HA       TRP  33 -12.158   4.685 -17.264
  225    HB2  TRP  33          1HB       TRP  33  -9.260   3.907 -17.788
  226    HB3  TRP  33          2HB       TRP  33 -10.393   4.459 -19.014
  227    HD1  TRP  33           HD1      TRP  33 -11.630   6.813 -16.967
  228    HE1  TRP  33           HE1      TRP  33 -10.253   8.988 -16.727
  229    HE3  TRP  33           HE3      TRP  33  -7.090   5.052 -18.574
  230    HZ2  TRP  33           HZ2      TRP  33  -7.590   9.819 -17.165
  231    HZ3  TRP  33           HZ3      TRP  33  -5.167   6.589 -18.641
  232    HH2  TRP  33           HH2      TRP  33  -5.405   8.936 -17.945
  233    H    ALA  34           H        ALA  34 -10.465   1.834 -16.140
  234    HA   ALA  34           HA       ALA  34 -11.314   0.166 -18.364
  235    HB1  ALA  34          1HB       ALA  34 -10.391  -1.687 -17.009
  236    HB2  ALA  34          2HB       ALA  34  -9.249  -0.327 -17.131
  237    HB3  ALA  34          3HB       ALA  34 -10.185  -0.571 -15.639
  238    H    THR  35           H        THR  35 -12.148   0.161 -14.873
  239    HA   THR  35           HA       THR  35 -14.714  -1.165 -15.650
  240    HB   THR  35           HB       THR  35 -14.619  -2.416 -13.520
  241    HG1  THR  35           HG1      THR  35 -13.278  -0.846 -12.411
  242   HG21  THR  35          1HG2      THR  35 -12.757  -3.926 -14.089
  243   HG22  THR  35          2HG2      THR  35 -13.646  -3.435 -15.550
  244   HG23  THR  35          3HG2      THR  35 -12.077  -2.688 -15.170
  245    H    GLY  36           H        GLY  36 -13.121   1.336 -13.874
  246    HA2  GLY  36          1HA       GLY  36 -14.549   3.288 -13.286
  247    HA3  GLY  36          2HA       GLY  36 -15.762   2.158 -12.717
  248    H    GLY  37           H        GLY  37 -14.272   4.363 -11.344
  249    HA2  GLY  37          1HA       GLY  37 -13.925   3.318  -8.777
  250    HA3  GLY  37          2HA       GLY  37 -12.352   3.154  -9.534
  251    H    HIS  38           H        HIS  38 -11.797   4.674  -7.729
  252    HA   HIS  38           HA       HIS  38 -12.384   7.513  -8.502
  253    HB2  HIS  38          1HB       HIS  38 -11.821   6.376  -5.738
  254    HB3  HIS  38          2HB       HIS  38 -12.019   8.081  -6.115
  255    HD2  HIS  38           HD2      HIS  38 -14.167   5.020  -5.254
  256    HE1  HIS  38           HE1      HIS  38 -16.824   8.117  -6.486
  257    HE2  HIS  38           HE2      HIS  38 -16.641   5.815  -5.402
  258    H    GLN  39           H        GLN  39 -10.694   8.146  -9.665
  259    HA   GLN  39           HA       GLN  39  -8.066   7.118  -9.440
  260    HB2  GLN  39          1HB       GLN  39  -8.918   8.367 -11.412
  261    HB3  GLN  39          2HB       GLN  39  -8.949   9.846 -10.464
  262    HG2  GLN  39          1HG       GLN  39  -6.526   9.762 -10.197
  263    HG3  GLN  39          2HG       GLN  39  -6.475   8.228 -11.109
  264   HE21  GLN  39          1HE2      GLN  39  -5.571  10.508 -13.704
  265   HE22  GLN  39          2HE2      GLN  39  -4.920   9.557 -12.410
  266    H    GLY  40           H        GLY  40  -6.651   7.254  -7.872
  267    HA2  GLY  40          1HA       GLY  40  -5.115   8.465  -6.520
  268    HA3  GLY  40          2HA       GLY  40  -6.144   9.881  -6.615
  269    H    ASN  41           H        ASN  41  -8.001   7.131  -5.988
  270    HA   ASN  41           HA       ASN  41  -7.836   7.563  -3.039
  271    HB2  ASN  41          1HB       ASN  41 -10.339   7.419  -4.748
  272    HB3  ASN  41          2HB       ASN  41 -10.340   7.290  -2.995
  273   HD21  ASN  41          1HD2      ASN  41  -9.988  10.880  -4.838
  274   HD22  ASN  41          2HD2      ASN  41 -10.041   9.389  -5.719
  275    H    HIS  42           H        HIS  42  -6.554   5.524  -4.526
  276    HA   HIS  42           HA       HIS  42  -7.840   3.235  -3.115
  277    HB2  HIS  42          1HB       HIS  42  -6.761   3.119  -5.956
  278    HB3  HIS  42          2HB       HIS  42  -7.273   1.733  -5.003
  279    HD1  HIS  42           HD1      HIS  42  -9.919   1.883  -4.183
  280    HD2  HIS  42           HD2      HIS  42  -8.867   4.269  -7.494
  281    HE1  HIS  42           HE1      HIS  42 -12.007   2.367  -5.355
  282    H    LYS  43           H        LYS  43  -6.468   1.753  -2.239
  283    HA   LYS  43           HA       LYS  43  -3.917   2.797  -1.468
  284    HB2  LYS  43          1HB       LYS  43  -5.286   1.246  -0.073
  285    HB3  LYS  43          2HB       LYS  43  -4.972  -0.048  -1.221
  286    HG2  LYS  43          1HG       LYS  43  -2.581   0.037  -0.719
  287    HG3  LYS  43          2HG       LYS  43  -2.841   1.404   0.374
  288    HD2  LYS  43          1HD       LYS  43  -4.293  -0.003   1.797
  289    HD3  LYS  43          2HD       LYS  43  -4.042  -1.371   0.702
  290    HE2  LYS  43          1HE       LYS  43  -1.614  -1.300   1.171
  291    HE3  LYS  43          2HE       LYS  43  -1.863   0.063   2.265
  292    HZ1  LYS  43          1HZ       LYS  43  -1.733  -2.004   3.447
  293    HZ2  LYS  43          2HZ       LYS  43  -3.238  -1.355   3.626
  294    HZ3  LYS  43          3HZ       LYS  43  -3.005  -2.630   2.606
  295    H    CYS  44           H        CYS  44  -1.907   2.507  -2.178
  296    HA   CYS  44           HA       CYS  44  -1.437   0.473  -4.294
  297    HB2  CYS  44          1HB       CYS  44  -1.918   2.575  -5.482
  298    HB3  CYS  44          2HB       CYS  44  -0.709   3.418  -4.525
  Start of MODEL    7
    1    H1   LYS   1          1H        LYS   1   2.836   8.088   2.168
    2    H2   LYS   1          2H        LYS   1   2.973   6.513   2.575
    3    H3   LYS   1          3H        LYS   1   1.798   6.991   1.548
    4    HA   LYS   1           HA       LYS   1   2.029   7.708   4.361
    5    HB2  LYS   1          1HB       LYS   1  -0.009   8.462   2.234
    6    HB3  LYS   1          2HB       LYS   1  -0.302   8.646   3.958
    7    HG2  LYS   1          1HG       LYS   1   1.595  10.198   4.134
    8    HG3  LYS   1          2HG       LYS   1   1.932   9.990   2.410
    9    HD2  LYS   1          1HD       LYS   1  -0.314  10.882   1.865
   10    HD3  LYS   1          2HD       LYS   1  -0.643  11.097   3.590
   11    HE2  LYS   1          1HE       LYS   1   1.218  12.687   3.775
   12    HE3  LYS   1          2HE       LYS   1   1.631  12.434   2.077
   13    HZ1  LYS   1          1HZ       LYS   1   0.335  14.413   2.385
   14    HZ2  LYS   1          2HZ       LYS   1  -0.516  13.326   1.483
   15    HZ3  LYS   1          3HZ       LYS   1  -0.901  13.563   3.068
   16    H    TYR   2           H        TYR   2  -0.055   6.137   1.903
   17    HA   TYR   2           HA       TYR   2  -0.576   3.997   3.914
   18    HB2  TYR   2          1HB       TYR   2  -2.629   5.375   2.137
   19    HB3  TYR   2          2HB       TYR   2  -2.935   3.886   3.023
   20    HD1  TYR   2           HD1      TYR   2  -2.660   7.497   3.210
   21    HD2  TYR   2           HD2      TYR   2  -2.919   3.888   5.515
   22    HE1  TYR   2           HE1      TYR   2  -3.311   8.813   5.198
   23    HE2  TYR   2           HE2      TYR   2  -3.571   5.204   7.503
   24    HH   TYR   2           HH       TYR   2  -3.983   7.222   8.319
   25    H    TYR   3           H        TYR   3  -0.292   4.989   0.553
   26    HA   TYR   3           HA       TYR   3  -0.463   2.144  -0.295
   27    HB2  TYR   3          1HB       TYR   3  -0.508   4.749  -1.864
   28    HB3  TYR   3          2HB       TYR   3  -0.441   3.165  -2.622
   29    HD1  TYR   3           HD1      TYR   3  -2.271   2.022  -0.213
   30    HD2  TYR   3           HD2      TYR   3  -2.597   5.166  -3.116
   31    HE1  TYR   3           HE1      TYR   3  -4.736   1.866  -0.107
   32    HE2  TYR   3           HE2      TYR   3  -5.061   5.009  -3.009
   33    HH   TYR   3           HH       TYR   3  -6.801   3.991  -2.093
   34    H    GLY   4           H        GLY   4   1.704   4.946  -0.294
   35    HA2  GLY   4          1HA       GLY   4   4.036   3.194  -0.450
   36    HA3  GLY   4          2HA       GLY   4   3.774   4.105  -1.925
   37    H    ASN   5           H        ASN   5   5.847   5.116  -1.449
   38    HA   ASN   5           HA       ASN   5   6.211   6.575   1.031
   39    HB2  ASN   5          1HB       ASN   5   8.074   5.559  -0.291
   40    HB3  ASN   5          2HB       ASN   5   7.797   6.753  -1.551
   41   HD21  ASN   5          1HD2      ASN   5  10.518   7.843   0.778
   42   HD22  ASN   5          2HD2      ASN   5  10.208   6.389  -0.110
   43    H    GLY   6           H        GLY   6   4.571   8.033   1.276
   44    HA2  GLY   6          1HA       GLY   6   3.835  10.268   1.154
   45    HA3  GLY   6          2HA       GLY   6   4.878  10.536  -0.231
   46    H    VAL   7           H        VAL   7   2.836   7.723  -0.259
   47    HA   VAL   7           HA       VAL   7   1.113   9.073  -2.296
   48    HB   VAL   7           HB       VAL   7   2.116   6.193  -2.262
   49   HG11  VAL   7          1HG1      VAL   7   1.036   6.001  -4.450
   50   HG12  VAL   7          2HG1      VAL   7  -0.137   6.342  -3.156
   51   HG13  VAL   7          3HG1      VAL   7   0.369   7.640  -4.264
   52   HG21  VAL   7          1HG2      VAL   7   3.353   6.877  -4.293
   53   HG22  VAL   7          2HG2      VAL   7   2.757   8.542  -4.094
   54   HG23  VAL   7          3HG2      VAL   7   3.853   7.837  -2.882
   55    H    THR   8           H        THR   8  -0.979   9.126  -1.820
   56    HA   THR   8           HA       THR   8  -2.246   6.630  -0.973
   57    HB   THR   8           HB       THR   8  -1.709   7.762   1.214
   58    HG1  THR   8           HG1      THR   8  -4.379   7.961   1.363
   59   HG21  THR   8          1HG2      THR   8  -2.997   9.774   1.816
   60   HG22  THR   8          2HG2      THR   8  -1.918  10.098   0.440
   61   HG23  THR   8          3HG2      THR   8  -3.658   9.850   0.167
   62    H    CYS   9           H        CYS   9  -4.771   7.344  -0.532
   63    HA   CYS   9           HA       CYS   9  -5.531   9.388  -2.545
   64    HB2  CYS   9          1HB       CYS   9  -6.542   6.522  -2.501
   65    HB3  CYS   9          2HB       CYS   9  -7.356   7.822  -3.359
   66    H    GLY  10           H        GLY  10  -7.693  10.183  -2.316
   67    HA2  GLY  10          1HA       GLY  10  -8.705   9.894   0.478
   68    HA3  GLY  10          2HA       GLY  10  -9.004  11.261  -0.577
   69    H    LYS  11           H        LYS  11 -11.164  11.314  -0.838
   70    HA   LYS  11           HA       LYS  11 -12.630   8.762  -1.195
   71    HB2  LYS  11          1HB       LYS  11 -13.451  10.409   0.482
   72    HB3  LYS  11          2HB       LYS  11 -13.668  11.596  -0.797
   73    HG2  LYS  11          1HG       LYS  11 -15.375  10.203  -1.853
   74    HG3  LYS  11          2HG       LYS  11 -15.114   8.935  -0.646
   75    HD2  LYS  11          1HD       LYS  11 -15.798  10.514   1.144
   76    HD3  LYS  11          2HD       LYS  11 -16.088  11.760  -0.078
   77    HE2  LYS  11          1HE       LYS  11 -17.785  10.300  -1.148
   78    HE3  LYS  11          2HE       LYS  11 -17.511   9.078   0.097
   79    HZ1  LYS  11          1HZ       LYS  11 -19.407  10.435   0.596
   80    HZ2  LYS  11          2HZ       LYS  11 -18.239  10.670   1.738
   81    HZ3  LYS  11          3HZ       LYS  11 -18.498  11.811   0.574
   82    H    HIS  12           H        HIS  12 -12.525  12.002  -2.728
   83    HA   HIS  12           HA       HIS  12 -13.602  10.722  -5.213
   84    HB2  HIS  12          1HB       HIS  12 -13.751  13.607  -4.264
   85    HB3  HIS  12          2HB       HIS  12 -14.322  13.033  -5.824
   86    HD1  HIS  12           HD1      HIS  12 -16.177  10.933  -5.550
   87    HD2  HIS  12           HD2      HIS  12 -15.792  13.576  -2.291
   88    HE1  HIS  12           HE1      HIS  12 -18.253  10.740  -4.277
   89    H    SER  13           H        SER  13 -10.730  11.366  -3.992
   90    HA   SER  13           HA       SER  13  -9.492  11.611  -6.588
   91    HB2  SER  13          1HB       SER  13  -8.438  13.751  -6.358
   92    HB3  SER  13          2HB       SER  13 -10.168  13.985  -6.156
   93    HG   SER  13           HG       SER  13  -8.111  14.071  -4.298
   94    H    CYS  14           H        CYS  14  -7.063  11.854  -6.370
   95    HA   CYS  14           HA       CYS  14  -6.197  10.434  -3.890
   96    HB2  CYS  14          1HB       CYS  14  -5.062  10.411  -6.710
   97    HB3  CYS  14          2HB       CYS  14  -4.213   9.737  -5.325
   98    H    SER  15           H        SER  15  -3.863  10.818  -3.312
   99    HA   SER  15           HA       SER  15  -2.994  13.596  -3.861
  100    HB2  SER  15          1HB       SER  15  -4.472  13.807  -1.926
  101    HB3  SER  15          2HB       SER  15  -3.619  12.517  -1.093
  102    HG   SER  15           HG       SER  15  -2.051  14.549  -2.046
  103    H    VAL  16           H        VAL  16  -0.931  13.529  -4.355
  104    HA   VAL  16           HA       VAL  16   0.812  11.658  -2.809
  105    HB   VAL  16           HB       VAL  16   1.016  12.397  -5.760
  106   HG11  VAL  16          1HG1      VAL  16   2.956  10.907  -5.817
  107   HG12  VAL  16          2HG1      VAL  16   3.221  12.304  -4.746
  108   HG13  VAL  16          3HG1      VAL  16   2.854  10.706  -4.052
  109   HG21  VAL  16          1HG2      VAL  16   0.676   9.970  -6.101
  110   HG22  VAL  16          2HG2      VAL  16   0.500   9.749  -4.345
  111   HG23  VAL  16          3HG2      VAL  16  -0.704  10.700  -5.248
  112    H    ASP  17           H        ASP  17   2.619  12.485  -1.944
  113    HA   ASP  17           HA       ASP  17   2.859  15.325  -1.710
  114    HB2  ASP  17          1HB       ASP  17   4.745  13.051  -0.996
  115    HB3  ASP  17          2HB       ASP  17   5.110  14.735  -0.648
  116    H    TRP  18           H        TRP  18   4.318  16.785  -2.525
  117    HA   TRP  18           HA       TRP  18   5.044  16.408  -5.257
  118    HB2  TRP  18          1HB       TRP  18   5.905  18.487  -3.211
  119    HB3  TRP  18          2HB       TRP  18   6.349  18.560  -4.910
  120    HD1  TRP  18           HD1      TRP  18   3.587  19.464  -2.547
  121    HE1  TRP  18           HE1      TRP  18   1.584  20.467  -3.838
  122    HE3  TRP  18           HE3      TRP  18   5.034  18.246  -7.314
  123    HZ2  TRP  18           HZ2      TRP  18   0.754  20.701  -6.526
  124    HZ3  TRP  18           HZ3      TRP  18   3.589  18.887  -9.202
  125    HH2  TRP  18           HH2      TRP  18   1.482  20.098  -8.822
  126    H    GLY  19           H        GLY  19   6.761  15.571  -6.214
  127    HA2  GLY  19          1HA       GLY  19   9.150  15.223  -6.406
  128    HA3  GLY  19          2HA       GLY  19   9.286  15.267  -4.658
  129    H    LYS  20           H        LYS  20   6.596  13.541  -4.947
  130    HA   LYS  20           HA       LYS  20   8.078  10.963  -4.959
  131    HB2  LYS  20          1HB       LYS  20   5.256  11.545  -3.979
  132    HB3  LYS  20          2HB       LYS  20   6.151  10.048  -3.762
  133    HG2  LYS  20          1HG       LYS  20   6.888  12.735  -2.563
  134    HG3  LYS  20          2HG       LYS  20   6.115  11.387  -1.716
  135    HD2  LYS  20          1HD       LYS  20   8.106   9.965  -2.236
  136    HD3  LYS  20          2HD       LYS  20   8.881  11.373  -2.978
  137    HE2  LYS  20          1HE       LYS  20   8.682  12.584  -0.802
  138    HE3  LYS  20          2HE       LYS  20   8.005  11.124  -0.077
  139    HZ1  LYS  20          1HZ       LYS  20  10.346  11.309   0.336
  140    HZ2  LYS  20          2HZ       LYS  20  10.050   9.985  -0.603
  141    HZ3  LYS  20          3HZ       LYS  20  10.683  11.350  -1.278
  142    H    ALA  21           H        ALA  21   7.036   9.071  -5.893
  143    HA   ALA  21           HA       ALA  21   6.325   9.638  -8.627
  144    HB1  ALA  21          1HB       ALA  21   6.107   7.183  -8.835
  145    HB2  ALA  21          2HB       ALA  21   7.616   7.643  -8.011
  146    HB3  ALA  21          3HB       ALA  21   6.238   7.030  -7.067
  147    H    THR  22           H        THR  22   4.432   9.447  -9.723
  148    HA   THR  22           HA       THR  22   1.996   9.201  -8.009
  149    HB   THR  22           HB       THR  22   0.849  10.596  -9.738
  150    HG1  THR  22           HG1      THR  22   2.028  11.474 -11.392
  151   HG21  THR  22          1HG2      THR  22   1.931  12.726  -9.137
  152   HG22  THR  22          2HG2      THR  22   1.815  11.651  -7.723
  153   HG23  THR  22          3HG2      THR  22   3.367  11.842  -8.571
  154    H    THR  23           H        THR  23   3.466   6.998  -9.233
  155    HA   THR  23           HA       THR  23   2.101   6.175 -11.636
  156    HB   THR  23           HB       THR  23   3.145   3.965 -11.219
  157    HG1  THR  23           HG1      THR  23   4.429   3.759  -9.298
  158   HG21  THR  23          1HG2      THR  23   5.494   4.705 -11.227
  159   HG22  THR  23          2HG2      THR  23   4.491   5.764 -12.247
  160   HG23  THR  23          3HG2      THR  23   4.998   6.306 -10.630
  161    H    CYS  24           H        CYS  24   1.435   5.860  -8.215
  162    HA   CYS  24           HA       CYS  24  -0.616   3.889  -8.371
  163    HB2  CYS  24          1HB       CYS  24   0.312   4.673  -6.231
  164    HB3  CYS  24          2HB       CYS  24  -0.343   6.280  -6.509
  165    H    ILE  25           H        ILE  25  -0.779   7.460  -8.565
  166    HA   ILE  25           HA       ILE  25  -3.565   7.643  -9.049
  167    HB   ILE  25           HB       ILE  25  -1.253   9.435  -9.881
  168   HG12  ILE  25          1HG1      ILE  25  -3.380   9.829  -7.769
  169   HG13  ILE  25          2HG1      ILE  25  -1.800   9.134  -7.445
  170   HG21  ILE  25          1HG2      ILE  25  -2.950  11.142 -10.397
  171   HG22  ILE  25          2HG2      ILE  25  -3.117   9.730 -11.466
  172   HG23  ILE  25          3HG2      ILE  25  -4.241   9.953 -10.105
  173   HD11  ILE  25          1HD1      ILE  25  -1.849  11.500  -6.884
  174   HD12  ILE  25          2HD1      ILE  25  -0.718  11.198  -8.225
  175   HD13  ILE  25          3HD1      ILE  25  -2.318  11.903  -8.552
  176    H    ILE  26           H        ILE  26  -0.834   7.266 -11.303
  177    HA   ILE  26           HA       ILE  26  -2.340   7.440 -13.704
  178    HB   ILE  26           HB       ILE  26   0.243   5.975 -13.044
  179   HG12  ILE  26          1HG1      ILE  26  -0.212   8.492 -14.656
  180   HG13  ILE  26          2HG1      ILE  26   0.136   8.495 -12.935
  181   HG21  ILE  26          1HG2      ILE  26   0.572   5.766 -15.476
  182   HG22  ILE  26          2HG2      ILE  26  -0.864   4.861 -14.944
  183   HG23  ILE  26          3HG2      ILE  26  -1.054   6.431 -15.756
  184   HD11  ILE  26          1HD1      ILE  26   2.151   8.889 -14.237
  185   HD12  ILE  26          2HD1      ILE  26   2.270   7.350 -13.351
  186   HD13  ILE  26          3HD1      ILE  26   1.917   7.348 -15.095
  187    H    ASN  27           H        ASN  27  -1.437   4.601 -11.734
  188    HA   ASN  27           HA       ASN  27  -2.737   2.696 -13.436
  189    HB2  ASN  27          1HB       ASN  27  -1.892   2.629 -10.529
  190    HB3  ASN  27          2HB       ASN  27  -2.670   1.260 -11.314
  191   HD21  ASN  27          1HD2      ASN  27   1.034   0.920 -11.496
  192   HD22  ASN  27          2HD2      ASN  27  -0.106   1.168 -10.215
  193    H    ASN  28           H        ASN  28  -3.826   4.497 -10.577
  194    HA   ASN  28           HA       ASN  28  -6.368   3.177 -10.390
  195    HB2  ASN  28          1HB       ASN  28  -5.340   5.846  -9.396
  196    HB3  ASN  28          2HB       ASN  28  -6.993   5.316  -9.114
  197   HD21  ASN  28          1HD2      ASN  28  -4.887   4.375  -6.212
  198   HD22  ASN  28          2HD2      ASN  28  -5.265   5.850  -7.040
  199    H    GLY  29           H        GLY  29  -5.238   5.999 -12.193
  200    HA2  GLY  29          1HA       GLY  29  -7.758   6.895 -13.170
  201    HA3  GLY  29          2HA       GLY  29  -6.214   7.131 -13.966
  202    H    ALA  30           H        ALA  30  -5.388   4.586 -14.553
  203    HA   ALA  30           HA       ALA  30  -6.933   3.909 -16.843
  204    HB1  ALA  30          1HB       ALA  30  -5.490   1.904 -16.966
  205    HB2  ALA  30          2HB       ALA  30  -4.545   3.379 -16.651
  206    HB3  ALA  30          3HB       ALA  30  -4.892   2.244 -15.326
  207    H    LEU  31           H        LEU  31  -6.788   2.471 -13.593
  208    HA   LEU  31           HA       LEU  31  -8.605   0.332 -14.135
  209    HB2  LEU  31          1HB       LEU  31  -7.866   1.782 -11.575
  210    HB3  LEU  31          2HB       LEU  31  -8.937   0.378 -11.615
  211    HG   LEU  31           HG       LEU  31  -6.060   0.356 -12.591
  212   HD11  LEU  31          1HD1      LEU  31  -5.577  -0.820 -10.492
  213   HD12  LEU  31          2HD1      LEU  31  -6.170   0.831 -10.198
  214   HD13  LEU  31          3HD1      LEU  31  -7.254  -0.560  -9.960
  215   HD21  LEU  31          1HD2      LEU  31  -6.382  -2.093 -12.499
  216   HD22  LEU  31          2HD2      LEU  31  -8.074  -1.851 -11.995
  217   HD23  LEU  31          3HD2      LEU  31  -7.545  -1.335 -13.614
  218    H    ALA  32           H        ALA  32  -9.078   3.658 -12.976
  219    HA   ALA  32           HA       ALA  32 -11.872   3.441 -12.475
  220    HB1  ALA  32          1HB       ALA  32 -11.885   5.907 -12.663
  221    HB2  ALA  32          2HB       ALA  32 -10.524   5.328 -11.672
  222    HB3  ALA  32          3HB       ALA  32 -10.243   5.856 -13.348
  223    H    TRP  33           H        TRP  33 -10.050   4.216 -15.419
  224    HA   TRP  33           HA       TRP  33 -12.344   4.808 -17.035
  225    HB2  TRP  33          1HB       TRP  33  -9.583   3.780 -17.803
  226    HB3  TRP  33          2HB       TRP  33 -10.788   4.348 -18.951
  227    HD1  TRP  33           HD1      TRP  33 -11.641   6.857 -16.843
  228    HE1  TRP  33           HE1      TRP  33 -10.123   8.949 -16.885
  229    HE3  TRP  33           HE3      TRP  33  -7.471   4.763 -18.972
  230    HZ2  TRP  33           HZ2      TRP  33  -7.502   9.597 -17.711
  231    HZ3  TRP  33           HZ3      TRP  33  -5.492   6.175 -19.363
  232    HH2  TRP  33           HH2      TRP  33  -5.499   8.555 -18.741
  233    H    ALA  34           H        ALA  34 -10.598   1.814 -16.287
  234    HA   ALA  34           HA       ALA  34 -12.017   0.222 -18.228
  235    HB1  ALA  34          1HB       ALA  34 -11.043  -1.702 -17.016
  236    HB2  ALA  34          2HB       ALA  34  -9.823  -0.452 -17.356
  237    HB3  ALA  34          3HB       ALA  34 -10.508  -0.604 -15.722
  238    H    THR  35           H        THR  35 -12.515   0.975 -14.805
  239    HA   THR  35           HA       THR  35 -14.727  -0.989 -14.685
  240    HB   THR  35           HB       THR  35 -14.729  -0.537 -12.258
  241    HG1  THR  35           HG1      THR  35 -12.680   0.863 -11.737
  242   HG21  THR  35          1HG2      THR  35 -12.473  -1.379 -11.738
  243   HG22  THR  35          2HG2      THR  35 -13.154  -2.216 -13.154
  244   HG23  THR  35          3HG2      THR  35 -11.929  -0.945 -13.375
  245    H    GLY  36           H        GLY  36 -14.192   2.374 -15.116
  246    HA2  GLY  36          1HA       GLY  36 -15.804   4.012 -15.618
  247    HA3  GLY  36          2HA       GLY  36 -17.079   2.886 -15.194
  248    H    GLY  37           H        GLY  37 -14.297   3.667 -13.143
  249    HA2  GLY  37          1HA       GLY  37 -16.197   4.670 -11.072
  250    HA3  GLY  37          2HA       GLY  37 -14.601   4.011 -10.762
  251    H    HIS  38           H        HIS  38 -13.497   5.631  -9.822
  252    HA   HIS  38           HA       HIS  38 -12.879   8.016 -11.422
  253    HB2  HIS  38          1HB       HIS  38 -13.592   9.648  -9.792
  254    HB3  HIS  38          2HB       HIS  38 -14.981   8.674 -10.252
  255    HD2  HIS  38           HD2      HIS  38 -12.926   9.564  -7.096
  256    HE1  HIS  38           HE1      HIS  38 -15.886   6.714  -5.964
  257    HE2  HIS  38           HE2      HIS  38 -14.117   8.348  -5.126
  258    H    GLN  39           H        GLN  39 -11.324   9.460 -10.234
  259    HA   GLN  39           HA       GLN  39  -9.098   7.893  -9.392
  260    HB2  GLN  39          1HB       GLN  39  -8.951  10.171 -10.425
  261    HB3  GLN  39          2HB       GLN  39  -9.586  10.865  -8.939
  262    HG2  GLN  39          1HG       GLN  39  -7.636  10.002  -7.705
  263    HG3  GLN  39          2HG       GLN  39  -6.987   9.344  -9.234
  264   HE21  GLN  39          1HE2      GLN  39  -6.116  12.529 -10.595
  265   HE22  GLN  39          2HE2      GLN  39  -6.693  10.953 -11.026
  266    H    GLY  40           H        GLY  40  -8.713   6.906  -7.559
  267    HA2  GLY  40          1HA       GLY  40  -8.353   6.967  -5.171
  268    HA3  GLY  40          2HA       GLY  40  -9.623   8.166  -5.018
  269    H    ASN  41           H        ASN  41 -10.636   5.863  -7.223
  270    HA   ASN  41           HA       ASN  41 -12.262   4.491  -5.155
  271    HB2  ASN  41          1HB       ASN  41 -13.215   5.566  -7.312
  272    HB3  ASN  41          2HB       ASN  41 -12.545   4.171  -8.146
  273   HD21  ASN  41          1HD2      ASN  41 -15.425   2.372  -7.539
  274   HD22  ASN  41          2HD2      ASN  41 -14.188   2.893  -8.634
  275    H    HIS  42           H        HIS  42  -9.310   4.045  -6.321
  276    HA   HIS  42           HA       HIS  42  -9.545   1.083  -6.050
  277    HB2  HIS  42          1HB       HIS  42  -8.025   2.535  -8.245
  278    HB3  HIS  42          2HB       HIS  42  -7.829   0.831  -7.863
  279    HD1  HIS  42           HD1      HIS  42 -10.100  -0.666  -8.122
  280    HD2  HIS  42           HD2      HIS  42 -10.189   3.085 -10.042
  281    HE1  HIS  42           HE1      HIS  42 -11.866  -0.811  -9.805
  282    H    LYS  43           H        LYS  43  -7.709   0.029  -5.275
  283    HA   LYS  43           HA       LYS  43  -6.008   1.859  -3.662
  284    HB2  LYS  43          1HB       LYS  43  -6.579  -1.119  -3.378
  285    HB3  LYS  43          2HB       LYS  43  -5.504  -0.204  -2.331
  286    HG2  LYS  43          1HG       LYS  43  -7.409   1.218  -1.631
  287    HG3  LYS  43          2HG       LYS  43  -8.483   0.256  -2.657
  288    HD2  LYS  43          1HD       LYS  43  -7.909  -1.772  -1.363
  289    HD3  LYS  43          2HD       LYS  43  -6.828  -0.815  -0.340
  290    HE2  LYS  43          1HE       LYS  43  -8.740   0.562   0.400
  291    HE3  LYS  43          2HE       LYS  43  -9.823  -0.375  -0.631
  292    HZ1  LYS  43          1HZ       LYS  43  -9.881  -1.134   1.630
  293    HZ2  LYS  43          2HZ       LYS  43  -9.273  -2.321   0.660
  294    HZ3  LYS  43          3HZ       LYS  43  -8.262  -1.445   1.625
  295    H    CYS  44           H        CYS  44  -3.760   1.426  -3.379
  296    HA   CYS  44           HA       CYS  44  -2.560  -0.038  -5.695
  297    HB2  CYS  44          1HB       CYS  44  -1.514   2.428  -4.250
  298    HB3  CYS  44          2HB       CYS  44  -0.625   1.534  -5.475
  Start of MODEL    8
    1    H1   LYS   1          1H        LYS   1  -2.052  -4.157  -3.411
    2    H2   LYS   1          2H        LYS   1  -0.770  -4.236  -4.420
    3    H3   LYS   1          3H        LYS   1  -1.357  -2.785  -3.958
    4    HA   LYS   1           HA       LYS   1  -2.732  -4.760  -5.596
    5    HB2  LYS   1          1HB       LYS   1  -3.582  -1.994  -4.649
    6    HB3  LYS   1          2HB       LYS   1  -4.421  -2.918  -5.887
    7    HG2  LYS   1          1HG       LYS   1  -4.029  -3.838  -3.024
    8    HG3  LYS   1          2HG       LYS   1  -5.487  -3.061  -3.657
    9    HD2  LYS   1          1HD       LYS   1  -5.721  -4.910  -5.317
   10    HD3  LYS   1          2HD       LYS   1  -4.308  -5.700  -4.601
   11    HE2  LYS   1          1HE       LYS   1  -5.491  -5.811  -2.420
   12    HE3  LYS   1          2HE       LYS   1  -6.908  -5.057  -3.158
   13    HZ1  LYS   1          1HZ       LYS   1  -7.116  -7.432  -3.073
   14    HZ2  LYS   1          2HZ       LYS   1  -7.060  -6.935  -4.645
   15    HZ3  LYS   1          3HZ       LYS   1  -5.739  -7.640  -3.954
   16    H    TYR   2           H        TYR   2  -1.870  -1.281  -5.619
   17    HA   TYR   2           HA       TYR   2  -0.782  -1.714  -8.367
   18    HB2  TYR   2          1HB       TYR   2  -2.490   0.624  -7.420
   19    HB3  TYR   2          2HB       TYR   2  -1.723   0.502  -8.997
   20    HD1  TYR   2           HD1      TYR   2  -4.569  -0.390  -6.979
   21    HD2  TYR   2           HD2      TYR   2  -2.416  -1.359 -10.563
   22    HE1  TYR   2           HE1      TYR   2  -6.556  -1.573  -7.854
   23    HE2  TYR   2           HE2      TYR   2  -4.403  -2.541 -11.437
   24    HH   TYR   2           HH       TYR   2  -7.408  -2.739  -9.542
   25    H    TYR   3           H        TYR   3   0.617  -1.640  -5.827
   26    HA   TYR   3           HA       TYR   3   1.706   0.918  -5.261
   27    HB2  TYR   3          1HB       TYR   3   1.938  -0.984  -3.724
   28    HB3  TYR   3          2HB       TYR   3   2.921  -1.850  -4.896
   29    HD1  TYR   3           HD1      TYR   3   2.824   1.294  -2.883
   30    HD2  TYR   3           HD2      TYR   3   5.238  -1.627  -4.897
   31    HE1  TYR   3           HE1      TYR   3   4.862   2.320  -1.931
   32    HE2  TYR   3           HE2      TYR   3   7.274  -0.600  -3.946
   33    HH   TYR   3           HH       TYR   3   7.076   2.207  -1.770
   34    H    GLY   4           H        GLY   4   3.129   2.183  -6.203
   35    HA2  GLY   4          1HA       GLY   4   4.640   1.074  -8.539
   36    HA3  GLY   4          2HA       GLY   4   4.130   2.745  -8.383
   37    H    ASN   5           H        ASN   5   6.495   3.035  -8.888
   38    HA   ASN   5           HA       ASN   5   8.469   2.204  -6.950
   39    HB2  ASN   5          1HB       ASN   5   8.952   2.658  -9.359
   40    HB3  ASN   5          2HB       ASN   5   8.663   4.368  -9.071
   41   HD21  ASN   5          1HD2      ASN   5  12.313   3.516  -8.856
   42   HD22  ASN   5          2HD2      ASN   5  11.075   3.172 -10.017
   43    H    GLY   6           H        GLY   6   7.580   2.894  -4.966
   44    HA2  GLY   6          1HA       GLY   6   8.009   4.300  -3.132
   45    HA3  GLY   6          2HA       GLY   6   8.670   5.508  -4.218
   46    H    VAL   7           H        VAL   7   5.513   4.016  -4.712
   47    HA   VAL   7           HA       VAL   7   4.134   6.367  -3.563
   48    HB   VAL   7           HB       VAL   7   4.591   6.999  -5.914
   49   HG11  VAL   7          1HG1      VAL   7   3.607   5.730  -7.760
   50   HG12  VAL   7          2HG1      VAL   7   4.813   4.776  -6.865
   51   HG13  VAL   7          3HG1      VAL   7   3.077   4.475  -6.614
   52   HG21  VAL   7          1HG2      VAL   7   2.250   7.442  -6.582
   53   HG22  VAL   7          2HG2      VAL   7   1.686   6.242  -5.395
   54   HG23  VAL   7          3HG2      VAL   7   2.489   7.732  -4.843
   55    H    THR   8           H        THR   8   2.152   5.920  -2.771
   56    HA   THR   8           HA       THR   8   0.838   3.378  -3.510
   57    HB   THR   8           HB       THR   8   2.405   2.837  -1.605
   58    HG1  THR   8           HG1      THR   8   0.325   1.770  -1.973
   59   HG21  THR   8          1HG2      THR   8   1.815   3.678   0.634
   60   HG22  THR   8          2HG2      THR   8   2.278   5.015  -0.445
   61   HG23  THR   8          3HG2      THR   8   0.563   4.719  -0.082
   62    H    CYS   9           H        CYS   9  -1.172   3.173  -1.853
   63    HA   CYS   9           HA       CYS   9  -2.244   5.731  -0.976
   64    HB2  CYS   9          1HB       CYS   9  -2.755   5.788  -3.426
   65    HB3  CYS   9          2HB       CYS   9  -3.663   4.294  -3.252
   66    H    GLY  10           H        GLY  10  -3.713   5.483   0.611
   67    HA2  GLY  10          1HA       GLY  10  -4.272   2.698   1.456
   68    HA3  GLY  10          2HA       GLY  10  -4.450   4.138   2.439
   69    H    LYS  11           H        LYS  11  -6.541   4.110   3.062
   70    HA   LYS  11           HA       LYS  11  -8.607   3.257   1.125
   71    HB2  LYS  11          1HB       LYS  11  -8.594   2.299   3.425
   72    HB3  LYS  11          2HB       LYS  11  -8.826   3.909   4.092
   73    HG2  LYS  11          1HG       LYS  11 -11.014   4.082   3.034
   74    HG3  LYS  11          2HG       LYS  11 -10.778   2.526   2.229
   75    HD2  LYS  11          1HD       LYS  11 -10.624   1.411   4.439
   76    HD3  LYS  11          2HD       LYS  11 -10.883   2.970   5.236
   77    HE2  LYS  11          1HE       LYS  11 -13.087   3.166   4.113
   78    HE3  LYS  11          2HE       LYS  11 -12.831   1.596   3.347
   79    HZ1  LYS  11          1HZ       LYS  11 -14.170   1.412   5.312
   80    HZ2  LYS  11          2HZ       LYS  11 -12.745   0.610   5.533
   81    HZ3  LYS  11          3HZ       LYS  11 -12.985   2.077   6.248
   82    H    HIS  12           H        HIS  12  -7.895   6.034   3.263
   83    HA   HIS  12           HA       HIS  12 -10.039   7.548   1.814
   84    HB2  HIS  12          1HB       HIS  12  -9.012   7.863   4.658
   85    HB3  HIS  12          2HB       HIS  12 -10.168   8.937   3.885
   86    HD1  HIS  12           HD1      HIS  12 -12.414   7.553   2.920
   87    HD2  HIS  12           HD2      HIS  12 -10.271   5.741   6.065
   88    HE1  HIS  12           HE1      HIS  12 -13.969   5.999   3.989
   89    H    SER  13           H        SER  13  -6.808   7.191   1.829
   90    HA   SER  13           HA       SER  13  -6.378   9.827   0.680
   91    HB2  SER  13          1HB       SER  13  -4.721  10.619   2.241
   92    HB3  SER  13          2HB       SER  13  -6.211  10.307   3.118
   93    HG   SER  13           HG       SER  13  -3.999   9.464   3.814
   94    H    CYS  14           H        CYS  14  -4.285  10.068  -0.283
   95    HA   CYS  14           HA       CYS  14  -2.905   7.445  -0.667
   96    HB2  CYS  14          1HB       CYS  14  -3.054   9.818  -2.568
   97    HB3  CYS  14          2HB       CYS  14  -2.181   8.321  -2.867
   98    H    SER  15           H        SER  15  -0.572   7.690  -1.335
   99    HA   SER  15           HA       SER  15   0.771  10.012  -0.100
  100    HB2  SER  15          1HB       SER  15   0.446   8.483   1.784
  101    HB3  SER  15          2HB       SER  15   1.155   7.161   0.870
  102    HG   SER  15           HG       SER  15   3.067   8.330   0.767
  103    H    VAL  16           H        VAL  16   2.754  10.440  -0.920
  104    HA   VAL  16           HA       VAL  16   4.034   8.413  -2.660
  105    HB   VAL  16           HB       VAL  16   2.543   9.719  -4.154
  106   HG11  VAL  16          1HG1      VAL  16   2.939  12.107  -4.516
  107   HG12  VAL  16          2HG1      VAL  16   2.407  11.765  -2.854
  108   HG13  VAL  16          3HG1      VAL  16   4.121  12.112  -3.187
  109   HG21  VAL  16          1HG2      VAL  16   4.281  10.433  -5.763
  110   HG22  VAL  16          2HG2      VAL  16   5.500  10.382  -4.468
  111   HG23  VAL  16          3HG2      VAL  16   4.705   8.881  -5.004
  112    H    ASP  17           H        ASP  17   6.208   8.501  -2.659
  113    HA   ASP  17           HA       ASP  17   7.497  10.226  -0.722
  114    HB2  ASP  17          1HB       ASP  17   8.571   8.238  -2.756
  115    HB3  ASP  17          2HB       ASP  17   9.610   9.140  -1.662
  116    H    TRP  18           H        TRP  18   8.989  11.853  -1.028
  117    HA   TRP  18           HA       TRP  18   8.434  13.612  -3.218
  118    HB2  TRP  18          1HB       TRP  18  10.652  13.601  -1.137
  119    HB3  TRP  18          2HB       TRP  18  10.432  14.894  -2.306
  120    HD1  TRP  18           HD1      TRP  18   9.226  13.708   1.038
  121    HE1  TRP  18           HE1      TRP  18   7.368  15.267   1.934
  122    HE3  TRP  18           HE3      TRP  18   8.311  16.380  -3.242
  123    HZ2  TRP  18           HZ2      TRP  18   5.747  17.352   0.935
  124    HZ3  TRP  18           HZ3      TRP  18   6.592  18.143  -3.206
  125    HH2  TRP  18           HH2      TRP  18   5.329  18.628  -1.152
  126    H    GLY  19           H        GLY  19   9.220  13.714  -5.195
  127    HA2  GLY  19          1HA       GLY  19  11.056  13.738  -6.761
  128    HA3  GLY  19          2HA       GLY  19  11.930  12.608  -5.745
  129    H    LYS  20           H        LYS  20   8.973  11.346  -5.583
  130    HA   LYS  20           HA       LYS  20   9.478   9.533  -7.885
  131    HB2  LYS  20          1HB       LYS  20   7.662   9.160  -5.470
  132    HB3  LYS  20          2HB       LYS  20   7.983   7.959  -6.714
  133    HG2  LYS  20          1HG       LYS  20  10.057   9.112  -4.824
  134    HG3  LYS  20          2HG       LYS  20   9.255   7.544  -4.650
  135    HD2  LYS  20          1HD       LYS  20  10.175   6.892  -6.899
  136    HD3  LYS  20          2HD       LYS  20  11.078   8.413  -6.922
  137    HE2  LYS  20          1HE       LYS  20  12.236   7.755  -4.836
  138    HE3  LYS  20          2HE       LYS  20  11.338   6.236  -4.815
  139    HZ1  LYS  20          1HZ       LYS  20  13.511   5.962  -5.761
  140    HZ2  LYS  20          2HZ       LYS  20  12.363   5.668  -6.910
  141    HZ3  LYS  20          3HZ       LYS  20  13.203   7.087  -6.928
  142    H    ALA  21           H        ALA  21   7.933   9.006  -9.385
  143    HA   ALA  21           HA       ALA  21   5.890  11.046  -9.826
  144    HB1  ALA  21          1HB       ALA  21   5.420   9.776 -11.896
  145    HB2  ALA  21          2HB       ALA  21   7.155  10.130 -11.720
  146    HB3  ALA  21          3HB       ALA  21   6.538   8.502 -11.359
  147    H    THR  22           H        THR  22   3.671  10.759  -9.939
  148    HA   THR  22           HA       THR  22   2.664   8.916  -7.921
  149    HB   THR  22           HB       THR  22   0.431   9.940  -8.505
  150    HG1  THR  22           HG1      THR  22   0.808  11.928  -9.901
  151   HG21  THR  22          1HG2      THR  22   0.985  12.183  -7.649
  152   HG22  THR  22          2HG2      THR  22   1.882  10.925  -6.765
  153   HG23  THR  22          3HG2      THR  22   2.705  11.899  -8.005
  154    H    THR  23           H        THR  23   3.519   7.032  -9.233
  155    HA   THR  23           HA       THR  23   2.151   6.194 -11.597
  156    HB   THR  23           HB       THR  23   3.527   4.514  -9.457
  157    HG1  THR  23           HG1      THR  23   4.891   6.046 -10.501
  158   HG21  THR  23          1HG2      THR  23   3.702   2.816 -11.233
  159   HG22  THR  23          2HG2      THR  23   1.999   3.185 -10.873
  160   HG23  THR  23          3HG2      THR  23   2.767   3.858 -12.329
  161    H    CYS  24           H        CYS  24   1.468   5.750  -8.152
  162    HA   CYS  24           HA       CYS  24  -0.610   3.900  -8.246
  163    HB2  CYS  24          1HB       CYS  24   0.165   4.796  -6.133
  164    HB3  CYS  24          2HB       CYS  24  -0.341   6.421  -6.571
  165    H    ILE  25           H        ILE  25  -0.914   7.455  -8.610
  166    HA   ILE  25           HA       ILE  25  -3.707   7.437  -9.142
  167    HB   ILE  25           HB       ILE  25  -1.516   9.417  -9.872
  168   HG12  ILE  25          1HG1      ILE  25  -3.727   9.587  -7.815
  169   HG13  ILE  25          2HG1      ILE  25  -2.096   9.036  -7.463
  170   HG21  ILE  25          1HG2      ILE  25  -3.323  11.001 -10.409
  171   HG22  ILE  25          2HG2      ILE  25  -3.350   9.603 -11.509
  172   HG23  ILE  25          3HG2      ILE  25  -4.527   9.711 -10.180
  173   HD11  ILE  25          1HD1      ILE  25  -2.381  11.375  -6.862
  174   HD12  ILE  25          2HD1      ILE  25  -1.195  11.207  -8.178
  175   HD13  ILE  25          3HD1      ILE  25  -2.847  11.765  -8.534
  176    H    ILE  26           H        ILE  26  -0.896   7.245 -11.310
  177    HA   ILE  26           HA       ILE  26  -2.315   7.308 -13.765
  178    HB   ILE  26           HB       ILE  26   0.297   5.961 -12.980
  179   HG12  ILE  26          1HG1      ILE  26  -0.200   8.423 -14.662
  180   HG13  ILE  26          2HG1      ILE  26   0.090   8.475 -12.930
  181   HG21  ILE  26          1HG2      ILE  26   0.723   5.713 -15.392
  182   HG22  ILE  26          2HG2      ILE  26  -0.694   4.762 -14.893
  183   HG23  ILE  26          3HG2      ILE  26  -0.916   6.307 -15.747
  184   HD11  ILE  26          1HD1      ILE  26   2.130   8.923 -14.175
  185   HD12  ILE  26          2HD1      ILE  26   2.280   7.408 -13.252
  186   HD13  ILE  26          3HD1      ILE  26   1.987   7.357 -15.006
  187    H    ASN  27           H        ASN  27  -1.379   4.545 -11.704
  188    HA   ASN  27           HA       ASN  27  -2.639   2.556 -13.333
  189    HB2  ASN  27          1HB       ASN  27  -1.889   2.645 -10.401
  190    HB3  ASN  27          2HB       ASN  27  -2.645   1.237 -11.135
  191   HD21  ASN  27          1HD2      ASN  27   1.069   0.900 -11.177
  192   HD22  ASN  27          2HD2      ASN  27  -0.108   1.228  -9.949
  193    H    ASN  28           H        ASN  28  -3.826   4.595 -10.696
  194    HA   ASN  28           HA       ASN  28  -6.395   3.282 -10.531
  195    HB2  ASN  28          1HB       ASN  28  -5.387   5.985  -9.606
  196    HB3  ASN  28          2HB       ASN  28  -7.042   5.451  -9.348
  197   HD21  ASN  28          1HD2      ASN  28  -5.001   4.649  -6.356
  198   HD22  ASN  28          2HD2      ASN  28  -5.366   6.086  -7.254
  199    H    GLY  29           H        GLY  29  -5.067   5.846 -12.516
  200    HA2  GLY  29          1HA       GLY  29  -7.513   6.848 -13.601
  201    HA3  GLY  29          2HA       GLY  29  -5.943   6.912 -14.381
  202    H    ALA  30           H        ALA  30  -5.280   4.284 -14.747
  203    HA   ALA  30           HA       ALA  30  -6.891   3.468 -16.953
  204    HB1  ALA  30          1HB       ALA  30  -5.549   1.392 -16.891
  205    HB2  ALA  30          2HB       ALA  30  -4.529   2.842 -16.739
  206    HB3  ALA  30          3HB       ALA  30  -4.906   1.865 -15.301
  207    H    LEU  31           H        LEU  31  -6.739   2.333 -13.581
  208    HA   LEU  31           HA       LEU  31  -8.680   0.274 -13.820
  209    HB2  LEU  31          1HB       LEU  31  -7.258   0.507 -11.852
  210    HB3  LEU  31          2HB       LEU  31  -7.985   2.072 -11.472
  211    HG   LEU  31           HG       LEU  31 -10.161   0.922 -11.059
  212   HD11  LEU  31          1HD1      LEU  31 -10.179  -1.525 -10.874
  213   HD12  LEU  31          2HD1      LEU  31  -9.816  -0.994 -12.533
  214   HD13  LEU  31          3HD1      LEU  31  -8.507  -1.584 -11.480
  215   HD21  LEU  31          1HD2      LEU  31  -9.453  -0.114  -8.930
  216   HD22  LEU  31          2HD2      LEU  31  -7.770  -0.153  -9.507
  217   HD23  LEU  31          3HD2      LEU  31  -8.578   1.408  -9.223
  218    H    ALA  32           H        ALA  32  -9.046   3.719 -12.942
  219    HA   ALA  32           HA       ALA  32 -11.851   3.608 -12.498
  220    HB1  ALA  32          1HB       ALA  32 -11.784   6.065 -12.770
  221    HB2  ALA  32          2HB       ALA  32 -10.458   5.480 -11.737
  222    HB3  ALA  32          3HB       ALA  32 -10.135   5.939 -13.424
  223    H    TRP  33           H        TRP  33  -9.963   4.273 -15.432
  224    HA   TRP  33           HA       TRP  33 -12.168   4.925 -17.112
  225    HB2  TRP  33          1HB       TRP  33  -9.863   5.378 -17.787
  226    HB3  TRP  33          2HB       TRP  33  -9.476   3.664 -17.764
  227    HD1  TRP  33           HD1      TRP  33 -11.457   6.257 -19.822
  228    HE1  TRP  33           HE1      TRP  33 -11.858   5.311 -22.195
  229    HE3  TRP  33           HE3      TRP  33  -9.653   1.512 -19.093
  230    HZ2  TRP  33           HZ2      TRP  33 -11.447   2.871 -23.554
  231    HZ3  TRP  33           HZ3      TRP  33  -9.687  -0.080 -20.971
  232    HH2  TRP  33           HH2      TRP  33 -10.566   0.583 -23.170
  233    H    ALA  34           H        ALA  34 -10.596   1.812 -16.371
  234    HA   ALA  34           HA       ALA  34 -12.126   0.363 -18.340
  235    HB1  ALA  34          1HB       ALA  34 -11.178  -1.647 -17.256
  236    HB2  ALA  34          2HB       ALA  34  -9.929  -0.420 -17.577
  237    HB3  ALA  34          3HB       ALA  34 -10.565  -0.634 -15.929
  238    H    THR  35           H        THR  35 -12.487   0.942 -14.861
  239    HA   THR  35           HA       THR  35 -14.753  -0.981 -14.814
  240    HB   THR  35           HB       THR  35 -14.527  -0.901 -12.355
  241    HG1  THR  35           HG1      THR  35 -12.322   0.850 -12.844
  242   HG21  THR  35          1HG2      THR  35 -12.298  -1.935 -12.176
  243   HG22  THR  35          2HG2      THR  35 -13.151  -2.510 -13.629
  244   HG23  THR  35          3HG2      THR  35 -11.865  -1.290 -13.776
  245    H    GLY  36           H        GLY  36 -14.063   2.371 -14.839
  246    HA2  GLY  36          1HA       GLY  36 -15.594   4.155 -14.879
  247    HA3  GLY  36          2HA       GLY  36 -16.892   3.049 -14.473
  248    H    GLY  37           H        GLY  37 -13.792   3.687 -12.800
  249    HA2  GLY  37          1HA       GLY  37 -15.343   3.997 -10.271
  250    HA3  GLY  37          2HA       GLY  37 -13.657   3.528 -10.390
  251    H    HIS  38           H        HIS  38 -12.563   5.076  -9.321
  252    HA   HIS  38           HA       HIS  38 -13.131   7.932 -10.037
  253    HB2  HIS  38          1HB       HIS  38 -12.369   6.821  -7.311
  254    HB3  HIS  38          2HB       HIS  38 -12.538   8.525  -7.709
  255    HD2  HIS  38           HD2      HIS  38 -14.724   5.533  -6.654
  256    HE1  HIS  38           HE1      HIS  38 -17.340   8.766  -7.583
  257    HE2  HIS  38           HE2      HIS  38 -17.162   6.440  -6.555
  258    H    GLN  39           H        GLN  39 -11.505   8.953 -10.922
  259    HA   GLN  39           HA       GLN  39  -9.016   7.599 -11.356
  260    HB2  GLN  39          1HB       GLN  39  -9.991   9.232 -12.956
  261    HB3  GLN  39          2HB       GLN  39  -9.733  10.527 -11.794
  262    HG2  GLN  39          1HG       GLN  39  -7.320  10.201 -11.918
  263    HG3  GLN  39          2HG       GLN  39  -7.557   8.843 -13.054
  264   HE21  GLN  39          1HE2      GLN  39  -6.706  11.700 -15.159
  265   HE22  GLN  39          2HE2      GLN  39  -5.941  10.651 -14.013
  266    H    GLY  40           H        GLY  40  -7.590   7.217  -9.816
  267    HA2  GLY  40          1HA       GLY  40  -5.736   7.870  -8.525
  268    HA3  GLY  40          2HA       GLY  40  -6.278   9.536  -8.590
  269    H    ASN  41           H        ASN  41  -8.616   7.132  -7.699
  270    HA   ASN  41           HA       ASN  41  -8.243   7.782  -4.812
  271    HB2  ASN  41          1HB       ASN  41 -10.843   7.901  -6.375
  272    HB3  ASN  41          2HB       ASN  41 -10.737   7.947  -4.620
  273   HD21  ASN  41          1HD2      ASN  41 -10.174  11.264  -6.811
  274   HD22  ASN  41          2HD2      ASN  41 -10.654   9.742  -7.484
  275    H    HIS  42           H        HIS  42  -7.268   5.493  -5.901
  276    HA   HIS  42           HA       HIS  42  -9.029   3.524  -4.514
  277    HB2  HIS  42          1HB       HIS  42  -7.651   3.067  -7.185
  278    HB3  HIS  42          2HB       HIS  42  -8.406   1.810  -6.216
  279    HD1  HIS  42           HD1      HIS  42 -11.089   2.241  -5.731
  280    HD2  HIS  42           HD2      HIS  42  -9.452   4.349  -8.992
  281    HE1  HIS  42           HE1      HIS  42 -12.979   2.855  -7.154
  282    H    LYS  43           H        LYS  43  -7.972   1.783  -3.545
  283    HA   LYS  43           HA       LYS  43  -5.506   2.519  -2.318
  284    HB2  LYS  43          1HB       LYS  43  -7.196   1.006  -1.287
  285    HB3  LYS  43          2HB       LYS  43  -6.811  -0.228  -2.479
  286    HG2  LYS  43          1HG       LYS  43  -4.525  -0.393  -1.611
  287    HG3  LYS  43          2HG       LYS  43  -4.861   0.896  -0.447
  288    HD2  LYS  43          1HD       LYS  43  -6.636  -0.496   0.578
  289    HD3  LYS  43          2HD       LYS  43  -6.288  -1.786  -0.583
  290    HE2  LYS  43          1HE       LYS  43  -3.980  -1.951   0.289
  291    HE3  LYS  43          2HE       LYS  43  -4.320  -0.660   1.444
  292    HZ1  LYS  43          1HZ       LYS  43  -4.534  -2.815   2.442
  293    HZ2  LYS  43          2HZ       LYS  43  -6.002  -2.062   2.427
  294    HZ3  LYS  43          3HZ       LYS  43  -5.682  -3.268   1.348
  295    H    CYS  44           H        CYS  44  -3.448   2.206  -2.798
  296    HA   CYS  44           HA       CYS  44  -2.841   0.411  -5.111
  297    HB2  CYS  44          1HB       CYS  44  -1.424   2.945  -4.200
  298    HB3  CYS  44          2HB       CYS  44  -0.816   1.865  -5.447
  Start of MODEL    9
    1    H1   LYS   1          1H        LYS   1   1.884  -0.036  -2.166
    2    H2   LYS   1          2H        LYS   1   3.376   0.187  -1.542
    3    H3   LYS   1          3H        LYS   1   2.749   1.287  -2.571
    4    HA   LYS   1           HA       LYS   1   3.458  -1.464  -3.208
    5    HB2  LYS   1          1HB       LYS   1   1.491  -0.660  -4.479
    6    HB3  LYS   1          2HB       LYS   1   2.385   0.768  -4.980
    7    HG2  LYS   1          1HG       LYS   1   2.372  -0.788  -6.797
    8    HG3  LYS   1          2HG       LYS   1   4.018  -0.723  -6.152
    9    HD2  LYS   1          1HD       LYS   1   3.646  -2.798  -4.900
   10    HD3  LYS   1          2HD       LYS   1   1.961  -2.846  -5.438
   11    HE2  LYS   1          1HE       LYS   1   2.704  -3.053  -7.780
   12    HE3  LYS   1          2HE       LYS   1   4.390  -2.974  -7.264
   13    HZ1  LYS   1          1HZ       LYS   1   3.679  -5.224  -7.611
   14    HZ2  LYS   1          2HZ       LYS   1   4.043  -4.994  -6.018
   15    HZ3  LYS   1          3HZ       LYS   1   2.468  -5.070  -6.502
   16    H    TYR   2           H        TYR   2   4.059   1.956  -4.109
   17    HA   TYR   2           HA       TYR   2   6.920   1.193  -4.506
   18    HB2  TYR   2          1HB       TYR   2   5.367   3.486  -5.775
   19    HB3  TYR   2          2HB       TYR   2   7.057   3.099  -6.071
   20    HD1  TYR   2           HD1      TYR   2   3.744   2.647  -7.190
   21    HD2  TYR   2           HD2      TYR   2   7.533   0.653  -6.922
   22    HE1  TYR   2           HE1      TYR   2   3.077   1.134  -9.026
   23    HE2  TYR   2           HE2      TYR   2   6.867  -0.860  -8.758
   24    HH   TYR   2           HH       TYR   2   5.293  -1.393 -10.224
   25    H    TYR   3           H        TYR   3   5.957   1.737  -1.937
   26    HA   TYR   3           HA       TYR   3   6.094   4.420  -1.103
   27    HB2  TYR   3          1HB       TYR   3   5.340   2.579   0.356
   28    HB3  TYR   3          2HB       TYR   3   6.968   1.915   0.393
   29    HD1  TYR   3           HD1      TYR   3   4.901   4.835   1.387
   30    HD2  TYR   3           HD2      TYR   3   8.601   2.723   1.896
   31    HE1  TYR   3           HE1      TYR   3   5.426   6.228   3.359
   32    HE2  TYR   3           HE2      TYR   3   9.125   4.117   3.868
   33    HH   TYR   3           HH       TYR   3   6.890   6.653   4.975
   34    H    GLY   4           H        GLY   4   8.710   2.077  -1.613
   35    HA2  GLY   4          1HA       GLY   4  10.790   3.674  -0.448
   36    HA3  GLY   4          2HA       GLY   4  11.018   2.329  -1.550
   37    H    ASN   5           H        ASN   5   9.084   3.854  -3.450
   38    HA   ASN   5           HA       ASN   5  11.224   5.520  -4.671
   39    HB2  ASN   5          1HB       ASN   5   8.677   4.331  -5.814
   40    HB3  ASN   5          2HB       ASN   5   9.740   5.412  -6.704
   41   HD21  ASN   5          1HD2      ASN   5  10.471   1.673  -7.132
   42   HD22  ASN   5          2HD2      ASN   5   8.961   2.506  -6.978
   43    H    GLY   6           H        GLY   6   8.816   5.993  -2.561
   44    HA2  GLY   6          1HA       GLY   6   7.985   8.035  -1.776
   45    HA3  GLY   6          2HA       GLY   6   8.736   8.850  -3.135
   46    H    VAL   7           H        VAL   7   6.679   6.072  -3.676
   47    HA   VAL   7           HA       VAL   7   4.484   7.885  -4.573
   48    HB   VAL   7           HB       VAL   7   5.529   5.444  -6.073
   49   HG11  VAL   7          1HG1      VAL   7   3.948   6.111  -7.818
   50   HG12  VAL   7          2HG1      VAL   7   3.125   5.706  -6.293
   51   HG13  VAL   7          3HG1      VAL   7   3.336   7.410  -6.766
   52   HG21  VAL   7          1HG2      VAL   7   6.227   7.095  -7.781
   53   HG22  VAL   7          2HG2      VAL   7   5.686   8.418  -6.720
   54   HG23  VAL   7          3HG2      VAL   7   7.050   7.385  -6.231
   55    H    THR   8           H        THR   8   2.971   7.474  -3.072
   56    HA   THR   8           HA       THR   8   1.754   4.804  -3.165
   57    HB   THR   8           HB       THR   8   3.383   4.567  -1.302
   58    HG1  THR   8           HG1      THR   8   1.062   3.755  -1.290
   59   HG21  THR   8          1HG2      THR   8   3.079   5.905   0.743
   60   HG22  THR   8          2HG2      THR   8   3.497   6.944  -0.639
   61   HG23  THR   8          3HG2      THR   8   1.816   6.862  -0.064
   62    H    CYS   9           H        CYS   9  -0.400   4.759  -2.570
   63    HA   CYS   9           HA       CYS   9  -1.596   7.476  -2.214
   64    HB2  CYS   9          1HB       CYS   9  -2.679   5.076  -3.740
   65    HB3  CYS   9          2HB       CYS   9  -3.578   6.557  -3.446
   66    H    GLY  10           H        GLY  10  -3.363   7.719  -0.867
   67    HA2  GLY  10          1HA       GLY  10  -3.746   5.487   1.081
   68    HA3  GLY  10          2HA       GLY  10  -4.033   7.185   1.411
   69    H    LYS  11           H        LYS  11  -6.156   7.246   1.926
   70    HA   LYS  11           HA       LYS  11  -8.073   5.697   0.278
   71    HB2  LYS  11          1HB       LYS  11  -8.186   5.519   2.759
   72    HB3  LYS  11          2HB       LYS  11  -8.496   7.246   2.866
   73    HG2  LYS  11          1HG       LYS  11 -10.612   6.977   1.674
   74    HG3  LYS  11          2HG       LYS  11 -10.293   5.250   1.459
   75    HD2  LYS  11          1HD       LYS  11 -10.262   4.958   3.923
   76    HD3  LYS  11          2HD       LYS  11 -10.609   6.681   4.124
   77    HE2  LYS  11          1HE       LYS  11 -12.735   6.386   2.876
   78    HE3  LYS  11          2HE       LYS  11 -12.393   4.662   2.712
   79    HZ1  LYS  11          1HZ       LYS  11 -13.858   5.101   4.543
   80    HZ2  LYS  11          2HZ       LYS  11 -12.434   4.486   5.105
   81    HZ3  LYS  11          3HZ       LYS  11 -12.755   6.096   5.259
   82    H    HIS  12           H        HIS  12  -7.834   9.009   1.635
   83    HA   HIS  12           HA       HIS  12  -9.661   9.908  -0.559
   84    HB2  HIS  12          1HB       HIS  12  -9.040  11.172   2.136
   85    HB3  HIS  12          2HB       HIS  12 -10.076  11.882   0.907
   86    HD1  HIS  12           HD1      HIS  12 -12.182  10.189   0.177
   87    HD2  HIS  12           HD2      HIS  12 -10.474   9.547   3.976
   88    HE1  HIS  12           HE1      HIS  12 -13.870   9.000   1.482
   89    H    SER  13           H        SER  13  -6.539   9.570  -0.276
   90    HA   SER  13           HA       SER  13  -5.939  11.774  -2.043
   91    HB2  SER  13          1HB       SER  13  -4.411  13.012  -0.666
   92    HB3  SER  13          2HB       SER  13  -5.953  12.936   0.174
   93    HG   SER  13           HG       SER  13  -3.985  12.460   1.374
   94    H    CYS  14           H        CYS  14  -3.493  11.899  -2.439
   95    HA   CYS  14           HA       CYS  14  -2.187   9.274  -1.958
   96    HB2  CYS  14          1HB       CYS  14  -3.304   9.156  -4.183
   97    HB3  CYS  14          2HB       CYS  14  -2.416  10.585  -4.695
   98    H    SER  15           H        SER  15  -0.036   9.373  -1.636
   99    HA   SER  15           HA       SER  15   1.110  12.128  -1.627
  100    HB2  SER  15          1HB       SER  15   0.947  11.094   0.577
  101    HB3  SER  15          2HB       SER  15   1.801   9.668   0.009
  102    HG   SER  15           HG       SER  15   3.477  11.269  -0.603
  103    H    VAL  16           H        VAL  16   2.212  12.451  -3.449
  104    HA   VAL  16           HA       VAL  16   4.296  10.414  -4.117
  105    HB   VAL  16           HB       VAL  16   2.869  12.350  -5.992
  106   HG11  VAL  16          1HG1      VAL  16   4.123  11.241  -7.776
  107   HG12  VAL  16          2HG1      VAL  16   5.197  12.063  -6.618
  108   HG13  VAL  16          3HG1      VAL  16   5.013  10.294  -6.560
  109   HG21  VAL  16          1HG2      VAL  16   1.966  10.283  -7.010
  110   HG22  VAL  16          2HG2      VAL  16   2.789   9.313  -5.765
  111   HG23  VAL  16          3HG2      VAL  16   1.479  10.426  -5.305
  112    H    ASP  17           H        ASP  17   6.323  11.044  -3.888
  113    HA   ASP  17           HA       ASP  17   6.966  13.678  -2.951
  114    HB2  ASP  17          1HB       ASP  17   8.684  11.372  -3.935
  115    HB3  ASP  17          2HB       ASP  17   9.368  12.880  -3.344
  116    H    TRP  18           H        TRP  18   8.043  15.374  -3.902
  117    HA   TRP  18           HA       TRP  18   7.401  15.892  -6.635
  118    HB2  TRP  18          1HB       TRP  18   9.338  17.250  -4.724
  119    HB3  TRP  18          2HB       TRP  18   8.977  17.863  -6.331
  120    HD1  TRP  18           HD1      TRP  18   7.705  17.904  -2.807
  121    HE1  TRP  18           HE1      TRP  18   5.475  19.207  -2.666
  122    HE3  TRP  18           HE3      TRP  18   6.697  18.285  -7.822
  123    HZ2  TRP  18           HZ2      TRP  18   3.564  20.251  -4.463
  124    HZ3  TRP  18           HZ3      TRP  18   4.650  19.447  -8.545
  125    HH2  TRP  18           HH2      TRP  18   3.104  20.420  -6.896
  126    H    GLY  19           H        GLY  19   8.378  15.418  -8.473
  127    HA2  GLY  19          1HA       GLY  19  10.354  15.176  -9.852
  128    HA3  GLY  19          2HA       GLY  19  11.269  14.691  -8.436
  129    H    LYS  20           H        LYS  20   8.614  13.069  -7.805
  130    HA   LYS  20           HA       LYS  20   9.521  10.654  -9.280
  131    HB2  LYS  20          1HB       LYS  20   7.620  10.882  -6.912
  132    HB3  LYS  20          2HB       LYS  20   8.240   9.390  -7.605
  133    HG2  LYS  20          1HG       LYS  20   9.920  11.527  -6.260
  134    HG3  LYS  20          2HG       LYS  20   9.397  10.002  -5.529
  135    HD2  LYS  20          1HD       LYS  20  10.609   8.766  -7.337
  136    HD3  LYS  20          2HD       LYS  20  11.202  10.315  -7.955
  137    HE2  LYS  20          1HE       LYS  20  12.268  10.755  -5.741
  138    HE3  LYS  20          2HE       LYS  20  11.738   9.163  -5.193
  139    HZ1  LYS  20          1HZ       LYS  20  13.991   9.122  -5.973
  140    HZ2  LYS  20          2HZ       LYS  20  13.048   8.186  -6.950
  141    HZ3  LYS  20          3HZ       LYS  20  13.545   9.674  -7.461
  142    H    ALA  21           H        ALA  21   8.140   9.322 -10.420
  143    HA   ALA  21           HA       ALA  21   5.981  10.722 -11.761
  144    HB1  ALA  21          1HB       ALA  21   5.723   8.612 -13.027
  145    HB2  ALA  21          2HB       ALA  21   7.420   9.148 -12.976
  146    HB3  ALA  21          3HB       ALA  21   6.874   7.821 -11.926
  147    H    THR  22           H        THR  22   3.832  10.535 -11.567
  148    HA   THR  22           HA       THR  22   2.833   9.382  -9.083
  149    HB   THR  22           HB       THR  22   0.615  10.232  -9.882
  150    HG1  THR  22           HG1      THR  22   0.652  11.461 -11.846
  151   HG21  THR  22          1HG2      THR  22   1.211  12.621  -9.821
  152   HG22  THR  22          2HG2      THR  22   2.142  11.703  -8.614
  153   HG23  THR  22          3HG2      THR  22   2.912  12.210 -10.134
  154    H    THR  23           H        THR  23   3.618   7.173  -9.735
  155    HA   THR  23           HA       THR  23   2.463   5.874 -12.020
  156    HB   THR  23           HB       THR  23   3.803   4.683  -9.553
  157    HG1  THR  23           HG1      THR  23   5.283   5.901 -10.649
  158   HG21  THR  23          1HG2      THR  23   4.140   2.697 -10.970
  159   HG22  THR  23          2HG2      THR  23   2.407   3.033 -10.748
  160   HG23  THR  23          3HG2      THR  23   3.208   3.464 -12.277
  161    H    CYS  24           H        CYS  24   1.711   5.774  -8.539
  162    HA   CYS  24           HA       CYS  24  -0.280   3.730  -8.756
  163    HB2  CYS  24          1HB       CYS  24   0.238   5.884  -6.681
  164    HB3  CYS  24          2HB       CYS  24  -1.065   4.715  -6.517
  165    H    ILE  25           H        ILE  25  -0.433   7.278  -8.872
  166    HA   ILE  25           HA       ILE  25  -3.289   7.461  -8.930
  167    HB   ILE  25           HB       ILE  25  -1.108   9.337  -9.923
  168   HG12  ILE  25          1HG1      ILE  25  -2.939   9.556  -7.527
  169   HG13  ILE  25          2HG1      ILE  25  -1.326   8.865  -7.462
  170   HG21  ILE  25          1HG2      ILE  25  -2.869  11.048 -10.093
  171   HG22  ILE  25          2HG2      ILE  25  -3.168   9.709 -11.225
  172   HG23  ILE  25          3HG2      ILE  25  -4.103   9.821  -9.715
  173   HD11  ILE  25          1HD1      ILE  25  -1.316  11.186  -6.739
  174   HD12  ILE  25          2HD1      ILE  25  -0.370  10.992  -8.235
  175   HD13  ILE  25          3HD1      ILE  25  -2.004  11.694  -8.299
  176    H    ILE  26           H        ILE  26  -0.836   7.290 -11.513
  177    HA   ILE  26           HA       ILE  26  -2.625   7.426 -13.713
  178    HB   ILE  26           HB       ILE  26   0.066   6.052 -13.372
  179   HG12  ILE  26          1HG1      ILE  26  -0.672   8.527 -14.941
  180   HG13  ILE  26          2HG1      ILE  26  -0.129   8.571 -13.271
  181   HG21  ILE  26          1HG2      ILE  26   0.104   5.827 -15.823
  182   HG22  ILE  26          2HG2      ILE  26  -1.220   4.874 -15.114
  183   HG23  ILE  26          3HG2      ILE  26  -1.568   6.428 -15.909
  184   HD11  ILE  26          1HD1      ILE  26   1.705   9.020 -14.801
  185   HD12  ILE  26          2HD1      ILE  26   1.985   7.501 -13.917
  186   HD13  ILE  26          3HD1      ILE  26   1.436   7.458 -15.609
  187    H    ASN  27           H        ASN  27  -1.482   4.641 -11.806
  188    HA   ASN  27           HA       ASN  27  -2.872   2.649 -13.305
  189    HB2  ASN  27          1HB       ASN  27  -1.917   2.763 -10.434
  190    HB3  ASN  27          2HB       ASN  27  -2.720   1.349 -11.101
  191   HD21  ASN  27          1HD2      ASN  27   0.975   0.996 -11.402
  192   HD22  ASN  27          2HD2      ASN  27  -0.118   1.322 -10.098
  193    H    ASN  28           H        ASN  28  -3.856   4.635 -10.531
  194    HA   ASN  28           HA       ASN  28  -6.437   3.432 -10.218
  195    HB2  ASN  28          1HB       ASN  28  -5.325   6.153  -9.500
  196    HB3  ASN  28          2HB       ASN  28  -6.991   5.705  -9.162
  197   HD21  ASN  28          1HD2      ASN  28  -4.884   4.996  -6.191
  198   HD22  ASN  28          2HD2      ASN  28  -5.213   6.391  -7.164
  199    H    GLY  29           H        GLY  29  -5.247   6.062 -12.267
  200    HA2  GLY  29          1HA       GLY  29  -7.785   6.850 -13.336
  201    HA3  GLY  29          2HA       GLY  29  -6.225   7.099 -14.099
  202    H    ALA  30           H        ALA  30  -5.378   4.407 -14.330
  203    HA   ALA  30           HA       ALA  30  -6.726   3.556 -16.691
  204    HB1  ALA  30          1HB       ALA  30  -5.376   1.497 -16.466
  205    HB2  ALA  30          2HB       ALA  30  -4.395   2.959 -16.210
  206    HB3  ALA  30          3HB       ALA  30  -4.921   1.986 -14.818
  207    H    LEU  31           H        LEU  31  -6.999   2.526 -13.304
  208    HA   LEU  31           HA       LEU  31  -8.886   0.427 -13.778
  209    HB2  LEU  31          1HB       LEU  31  -8.348   2.172 -11.352
  210    HB3  LEU  31          2HB       LEU  31  -9.481   0.815 -11.343
  211    HG   LEU  31           HG       LEU  31  -6.514   0.564 -11.950
  212   HD11  LEU  31          1HD1      LEU  31  -6.348  -0.363  -9.682
  213   HD12  LEU  31          2HD1      LEU  31  -6.887   1.332  -9.662
  214   HD13  LEU  31          3HD1      LEU  31  -8.061   0.021  -9.400
  215   HD21  LEU  31          1HD2      LEU  31  -6.970  -1.842 -11.613
  216   HD22  LEU  31          2HD2      LEU  31  -8.695  -1.480 -11.357
  217   HD23  LEU  31          3HD2      LEU  31  -7.949  -1.185 -12.947
  218    H    ALA  32           H        ALA  32  -9.251   3.902 -13.121
  219    HA   ALA  32           HA       ALA  32 -12.100   3.912 -13.018
  220    HB1  ALA  32          1HB       ALA  32 -11.896   6.327 -13.514
  221    HB2  ALA  32          2HB       ALA  32 -10.742   5.812 -12.261
  222    HB3  ALA  32          3HB       ALA  32 -10.182   6.089 -13.926
  223    H    TRP  33           H        TRP  33  -9.819   4.217 -15.725
  224    HA   TRP  33           HA       TRP  33 -11.803   4.599 -17.752
  225    HB2  TRP  33          1HB       TRP  33  -9.446   5.054 -18.191
  226    HB3  TRP  33          2HB       TRP  33  -9.017   3.379 -17.871
  227    HD1  TRP  33           HD1      TRP  33 -10.768   5.570 -20.520
  228    HE1  TRP  33           HE1      TRP  33 -10.823   4.285 -22.764
  229    HE3  TRP  33           HE3      TRP  33  -8.968   1.054 -18.887
  230    HZ2  TRP  33           HZ2      TRP  33 -10.178   1.697 -23.691
  231    HZ3  TRP  33           HZ3      TRP  33  -8.713  -0.786 -20.503
  232    HH2  TRP  33           HH2      TRP  33  -9.304  -0.475 -22.869
  233    H    ALA  34           H        ALA  34 -10.357   1.693 -16.303
  234    HA   ALA  34           HA       ALA  34 -11.452  -0.074 -18.310
  235    HB1  ALA  34          1HB       ALA  34 -10.656  -1.878 -16.814
  236    HB2  ALA  34          2HB       ALA  34  -9.407  -0.639 -17.076
  237    HB3  ALA  34          3HB       ALA  34 -10.321  -0.672 -15.551
  238    H    THR  35           H        THR  35 -12.205   0.314 -14.822
  239    HA   THR  35           HA       THR  35 -14.839  -0.971 -15.415
  240    HB   THR  35           HB       THR  35 -14.776  -1.913 -13.128
  241    HG1  THR  35           HG1      THR  35 -13.399  -0.288 -12.210
  242   HG21  THR  35          1HG2      THR  35 -12.974  -3.555 -13.483
  243   HG22  THR  35          2HG2      THR  35 -13.855  -3.241 -14.997
  244   HG23  THR  35          3HG2      THR  35 -12.258  -2.506 -14.729
  245    H    GLY  36           H        GLY  36 -13.136   1.662 -13.918
  246    HA2  GLY  36          1HA       GLY  36 -14.442   3.747 -13.597
  247    HA3  GLY  36          2HA       GLY  36 -15.758   2.767 -12.977
  248    H    GLY  37           H        GLY  37 -14.157   5.004 -11.775
  249    HA2  GLY  37          1HA       GLY  37 -14.027   4.239  -9.094
  250    HA3  GLY  37          2HA       GLY  37 -12.438   3.860  -9.732
  251    H    HIS  38           H        HIS  38 -11.805   5.521  -8.105
  252    HA   HIS  38           HA       HIS  38 -12.147   8.298  -9.184
  253    HB2  HIS  38          1HB       HIS  38 -11.684   7.417  -6.311
  254    HB3  HIS  38          2HB       HIS  38 -11.759   9.083  -6.867
  255    HD2  HIS  38           HD2      HIS  38 -14.124   6.285  -5.721
  256    HE1  HIS  38           HE1      HIS  38 -16.547   9.420  -7.291
  257    HE2  HIS  38           HE2      HIS  38 -16.534   7.233  -5.977
  258    H    GLN  39           H        GLN  39 -10.409   8.726 -10.358
  259    HA   GLN  39           HA       GLN  39  -7.874   7.510 -10.036
  260    HB2  GLN  39          1HB       GLN  39  -8.609   8.672 -12.103
  261    HB3  GLN  39          2HB       GLN  39  -8.541  10.215 -11.266
  262    HG2  GLN  39          1HG       GLN  39  -6.133   9.980 -10.961
  263    HG3  GLN  39          2HG       GLN  39  -6.184   8.382 -11.757
  264   HE21  GLN  39          1HE2      GLN  39  -5.076  10.482 -14.453
  265   HE22  GLN  39          2HE2      GLN  39  -4.491   9.640 -13.056
  266    H    GLY  40           H        GLY  40  -6.482   7.633  -8.445
  267    HA2  GLY  40          1HA       GLY  40  -4.840   8.796  -7.186
  268    HA3  GLY  40          2HA       GLY  40  -5.713  10.297  -7.428
  269    H    ASN  41           H        ASN  41  -7.867   7.847  -6.575
  270    HA   ASN  41           HA       ASN  41  -7.648   8.504  -3.671
  271    HB2  ASN  41          1HB       ASN  41 -10.164   8.540  -5.369
  272    HB3  ASN  41          2HB       ASN  41 -10.154   8.595  -3.612
  273   HD21  ASN  41          1HD2      ASN  41  -9.578  11.922  -5.778
  274   HD22  ASN  41          2HD2      ASN  41  -9.984  10.386  -6.469
  275    H    HIS  42           H        HIS  42  -6.636   6.200  -4.930
  276    HA   HIS  42           HA       HIS  42  -8.199   4.271  -3.280
  277    HB2  HIS  42          1HB       HIS  42  -7.110   3.677  -6.057
  278    HB3  HIS  42          2HB       HIS  42  -7.775   2.484  -4.951
  279    HD1  HIS  42           HD1      HIS  42 -10.395   2.993  -4.220
  280    HD2  HIS  42           HD2      HIS  42  -9.070   4.859  -7.759
  281    HE1  HIS  42           HE1      HIS  42 -12.410   3.547  -5.486
  282    H    LYS  43           H        LYS  43  -7.017   2.750  -2.201
  283    HA   LYS  43           HA       LYS  43  -4.430   3.651  -1.411
  284    HB2  LYS  43          1HB       LYS  43  -5.863   1.010  -0.936
  285    HB3  LYS  43          2HB       LYS  43  -4.336   1.440  -0.177
  286    HG2  LYS  43          1HG       LYS  43  -5.426   3.392   0.890
  287    HG3  LYS  43          2HG       LYS  43  -6.961   2.921   0.148
  288    HD2  LYS  43          1HD       LYS  43  -6.865   0.747   1.331
  289    HD3  LYS  43          2HD       LYS  43  -5.333   1.225   2.078
  290    HE2  LYS  43          1HE       LYS  43  -6.461   3.136   3.171
  291    HE3  LYS  43          2HE       LYS  43  -7.989   2.668   2.422
  292    HZ1  LYS  43          1HZ       LYS  43  -7.823   1.868   4.663
  293    HZ2  LYS  43          2HZ       LYS  43  -7.872   0.591   3.619
  294    HZ3  LYS  43          3HZ       LYS  43  -6.444   1.030   4.319
  295    H    CYS  44           H        CYS  44  -2.418   3.156  -1.985
  296    HA   CYS  44           HA       CYS  44  -1.985   0.868  -3.825
  297    HB2  CYS  44          1HB       CYS  44  -2.318   2.838  -5.278
  298    HB3  CYS  44          2HB       CYS  44  -1.075   3.716  -4.399
  Start of MODEL   10
    1    H1   LYS   1          1H        LYS   1  -1.561  10.639   5.180
    2    H2   LYS   1          2H        LYS   1  -3.049  10.024   5.450
    3    H3   LYS   1          3H        LYS   1  -1.729   9.093   5.677
    4    HA   LYS   1           HA       LYS   1  -2.665  10.170   3.139
    5    HB2  LYS   1          1HB       LYS   1  -0.332   8.306   3.735
    6    HB3  LYS   1          2HB       LYS   1  -0.869   8.802   2.136
    7    HG2  LYS   1          1HG       LYS   1   0.220  10.665   4.268
    8    HG3  LYS   1          2HG       LYS   1   1.126  10.031   2.886
    9    HD2  LYS   1          1HD       LYS   1  -0.572  11.100   1.364
   10    HD3  LYS   1          2HD       LYS   1  -1.315  11.840   2.791
   11    HE2  LYS   1          1HE       LYS   1   0.862  12.939   3.317
   12    HE3  LYS   1          2HE       LYS   1   1.544  12.253   1.839
   13    HZ1  LYS   1          1HZ       LYS   1   0.796  14.495   1.509
   14    HZ2  LYS   1          2HZ       LYS   1  -0.105  13.467   0.586
   15    HZ3  LYS   1          3HZ       LYS   1  -0.740  14.109   1.967
   16    H    TYR   2           H        TYR   2  -3.351   8.532   1.628
   17    HA   TYR   2           HA       TYR   2  -5.156   6.670   2.916
   18    HB2  TYR   2          1HB       TYR   2  -5.624   7.893   0.752
   19    HB3  TYR   2          2HB       TYR   2  -4.428   6.870  -0.032
   20    HD1  TYR   2           HD1      TYR   2  -7.797   7.062   1.352
   21    HD2  TYR   2           HD2      TYR   2  -4.830   4.460  -0.332
   22    HE1  TYR   2           HE1      TYR   2  -9.531   5.349   0.941
   23    HE2  TYR   2           HE2      TYR   2  -6.564   2.747  -0.743
   24    HH   TYR   2           HH       TYR   2  -9.968   3.337   0.106
   25    H    TYR   3           H        TYR   3  -2.149   6.345   1.044
   26    HA   TYR   3           HA       TYR   3  -2.234   3.412   1.529
   27    HB2  TYR   3          1HB       TYR   3  -0.449   5.058  -0.310
   28    HB3  TYR   3          2HB       TYR   3  -0.425   3.306  -0.169
   29    HD1  TYR   3           HD1      TYR   3  -2.164   6.200  -1.540
   30    HD2  TYR   3           HD2      TYR   3  -2.311   1.947  -0.990
   31    HE1  TYR   3           HE1      TYR   3  -3.909   6.035  -3.283
   32    HE2  TYR   3           HE2      TYR   3  -4.056   1.782  -2.734
   33    HH   TYR   3           HH       TYR   3  -5.559   4.617  -4.105
   34    H    GLY   4           H        GLY   4  -0.582   6.318   2.450
   35    HA2  GLY   4          1HA       GLY   4   0.735   6.489   4.427
   36    HA3  GLY   4          2HA       GLY   4   0.991   4.754   4.411
   37    H    ASN   5           H        ASN   5   1.401   5.904   1.293
   38    HA   ASN   5           HA       ASN   5   4.362   6.014   1.679
   39    HB2  ASN   5          1HB       ASN   5   2.704   5.095  -0.689
   40    HB3  ASN   5          2HB       ASN   5   4.446   5.320  -0.743
   41   HD21  ASN   5          1HD2      ASN   5   3.076   1.829   0.349
   42   HD22  ASN   5          2HD2      ASN   5   2.285   3.006  -0.645
   43    H    GLY   6           H        GLY   6   2.434   8.243   1.914
   44    HA2  GLY   6          1HA       GLY   6   2.723  10.532   1.413
   45    HA3  GLY   6          2HA       GLY   6   3.831  10.109   0.120
   46    H    VAL   7           H        VAL   7   0.988   8.233   0.052
   47    HA   VAL   7           HA       VAL   7  -0.106   9.975  -2.118
   48    HB   VAL   7           HB       VAL   7  -0.198   6.935  -1.917
   49   HG11  VAL   7          1HG1      VAL   7  -1.086   7.032  -4.194
   50   HG12  VAL   7          2HG1      VAL   7  -2.150   7.854  -3.028
   51   HG13  VAL   7          3HG1      VAL   7  -1.107   8.809  -4.109
   52   HG21  VAL   7          1HG2      VAL   7   1.368   7.000  -3.831
   53   HG22  VAL   7          2HG2      VAL   7   1.421   8.776  -3.726
   54   HG23  VAL   7          3HG2      VAL   7   2.071   7.785  -2.399
   55    H    THR   8           H        THR   8  -2.164  10.588  -1.989
   56    HA   THR   8           HA       THR   8  -4.028   9.004  -0.310
   57    HB   THR   8           HB       THR   8  -3.175  10.829   1.152
   58    HG1  THR   8           HG1      THR   8  -5.838  11.437   0.363
   59   HG21  THR   8          1HG2      THR   8  -3.738  13.164   0.609
   60   HG22  THR   8          2HG2      THR   8  -2.650  12.470  -0.618
   61   HG23  THR   8          3HG2      THR   8  -4.386  12.647  -0.965
   62    H    CYS   9           H        CYS   9  -6.189   9.150  -0.872
   63    HA   CYS   9           HA       CYS   9  -6.621  10.393  -3.557
   64    HB2  CYS   9          1HB       CYS   9  -7.676   7.783  -2.413
   65    HB3  CYS   9          2HB       CYS   9  -8.320   8.525  -3.870
   66    H    GLY  10           H        GLY  10  -8.541  11.421  -3.979
   67    HA2  GLY  10          1HA       GLY  10 -10.246  12.002  -1.600
   68    HA3  GLY  10          2HA       GLY  10 -10.139  12.989  -3.046
   69    H    LYS  11           H        LYS  11 -12.069  12.979  -4.014
   70    HA   LYS  11           HA       LYS  11 -13.716  10.518  -3.926
   71    HB2  LYS  11          1HB       LYS  11 -14.721  12.714  -3.279
   72    HB3  LYS  11          2HB       LYS  11 -14.423  13.313  -4.905
   73    HG2  LYS  11          1HG       LYS  11 -15.958  11.677  -5.844
   74    HG3  LYS  11          2HG       LYS  11 -16.185  10.933  -4.254
   75    HD2  LYS  11          1HD       LYS  11 -17.122  13.069  -3.402
   76    HD3  LYS  11          2HD       LYS  11 -16.919  13.788  -5.005
   77    HE2  LYS  11          1HE       LYS  11 -18.437  12.071  -5.956
   78    HE3  LYS  11          2HE       LYS  11 -18.657  11.382  -4.347
   79    HZ1  LYS  11          1HZ       LYS  11 -20.435  12.863  -4.923
   80    HZ2  LYS  11          2HZ       LYS  11 -19.594  13.475  -3.643
   81    HZ3  LYS  11          3HZ       LYS  11 -19.390  14.118  -5.148
   82    H    HIS  12           H        HIS  12 -12.473  12.870  -6.318
   83    HA   HIS  12           HA       HIS  12 -13.221  10.907  -8.456
   84    HB2  HIS  12          1HB       HIS  12 -13.096  13.942  -8.573
   85    HB3  HIS  12          2HB       HIS  12 -13.381  12.895  -9.956
   86    HD1  HIS  12           HD1      HIS  12 -15.594  11.237  -9.620
   87    HD2  HIS  12           HD2      HIS  12 -15.493  14.723  -7.254
   88    HE1  HIS  12           HE1      HIS  12 -17.906  11.667  -8.954
   89    H    SER  13           H        SER  13 -10.641  12.132  -6.792
   90    HA   SER  13           HA       SER  13  -8.760  11.404  -8.916
   91    HB2  SER  13          1HB       SER  13  -7.631  13.529  -9.033
   92    HB3  SER  13          2HB       SER  13  -9.325  13.777  -9.428
   93    HG   SER  13           HG       SER  13  -7.844  14.654  -7.322
   94    H    CYS  14           H        CYS  14  -6.552  11.316  -8.188
   95    HA   CYS  14           HA       CYS  14  -6.326  11.263  -5.208
   96    HB2  CYS  14          1HB       CYS  14  -4.770   9.677  -7.289
   97    HB3  CYS  14          2HB       CYS  14  -4.461   9.644  -5.558
   98    H    SER  15           H        SER  15  -4.063  11.631  -4.408
   99    HA   SER  15           HA       SER  15  -2.530  13.532  -6.080
  100    HB2  SER  15          1HB       SER  15  -4.178  14.933  -4.921
  101    HB3  SER  15          2HB       SER  15  -3.713  14.243  -3.376
  102    HG   SER  15           HG       SER  15  -1.779  15.174  -3.508
  103    H    VAL  16           H        VAL  16  -0.411  13.927  -5.354
  104    HA   VAL  16           HA       VAL  16   0.527  12.165  -3.147
  105    HB   VAL  16           HB       VAL  16   0.786  10.942  -5.317
  106   HG11  VAL  16          1HG1      VAL  16   2.411  11.743  -6.963
  107   HG12  VAL  16          2HG1      VAL  16   1.031  12.854  -6.793
  108   HG13  VAL  16          3HG1      VAL  16   2.596  13.254  -6.043
  109   HG21  VAL  16          1HG2      VAL  16   3.184  10.412  -5.017
  110   HG22  VAL  16          2HG2      VAL  16   3.385  11.882  -4.035
  111   HG23  VAL  16          3HG2      VAL  16   2.355  10.554  -3.448
  112    H    ASP  17           H        ASP  17   2.378  12.837  -2.098
  113    HA   ASP  17           HA       ASP  17   2.918  15.612  -2.013
  114    HB2  ASP  17          1HB       ASP  17   4.565  13.221  -1.109
  115    HB3  ASP  17          2HB       ASP  17   5.040  14.884  -0.791
  116    H    TRP  18           H        TRP  18   4.426  16.936  -2.889
  117    HA   TRP  18           HA       TRP  18   5.265  16.323  -5.539
  118    HB2  TRP  18          1HB       TRP  18   6.117  18.525  -3.622
  119    HB3  TRP  18          2HB       TRP  18   6.629  18.452  -5.302
  120    HD1  TRP  18           HD1      TRP  18   3.818  19.635  -3.131
  121    HE1  TRP  18           HE1      TRP  18   1.903  20.598  -4.576
  122    HE3  TRP  18           HE3      TRP  18   5.391  17.986  -7.726
  123    HZ2  TRP  18           HZ2      TRP  18   1.180  20.641  -7.304
  124    HZ3  TRP  18           HZ3      TRP  18   4.040  18.520  -9.714
  125    HH2  TRP  18           HH2      TRP  18   1.968  19.830  -9.514
  126    H    GLY  19           H        GLY  19   7.046  15.474  -6.391
  127    HA2  GLY  19          1HA       GLY  19   9.467  15.105  -6.347
  128    HA3  GLY  19          2HA       GLY  19   9.396  15.021  -4.597
  129    H    LYS  20           H        LYS  20   6.727  13.433  -5.135
  130    HA   LYS  20           HA       LYS  20   8.101  10.802  -5.352
  131    HB2  LYS  20          1HB       LYS  20   5.360  11.555  -4.260
  132    HB3  LYS  20          2HB       LYS  20   5.967   9.908  -4.370
  133    HG2  LYS  20          1HG       LYS  20   7.838  10.515  -2.849
  134    HG3  LYS  20          2HG       LYS  20   7.158  12.142  -2.703
  135    HD2  LYS  20          1HD       LYS  20   5.049  11.164  -1.818
  136    HD3  LYS  20          2HD       LYS  20   5.770   9.551  -1.925
  137    HE2  LYS  20          1HE       LYS  20   6.877  11.844  -0.263
  138    HE3  LYS  20          2HE       LYS  20   5.894  10.520   0.367
  139    HZ1  LYS  20          1HZ       LYS  20   8.222  10.121   0.689
  140    HZ2  LYS  20          2HZ       LYS  20   7.603   8.991  -0.341
  141    HZ3  LYS  20          3HZ       LYS  20   8.522  10.229  -0.929
  142    H    ALA  21           H        ALA  21   6.865   9.032  -6.399
  143    HA   ALA  21           HA       ALA  21   6.334   9.903  -9.117
  144    HB1  ALA  21          1HB       ALA  21   6.094   7.486  -9.587
  145    HB2  ALA  21          2HB       ALA  21   7.580   7.836  -8.672
  146    HB3  ALA  21          3HB       ALA  21   6.164   7.149  -7.842
  147    H    THR  22           H        THR  22   4.472   9.447 -10.370
  148    HA   THR  22           HA       THR  22   1.980   9.460  -8.729
  149    HB   THR  22           HB       THR  22   0.891  10.470 -10.731
  150    HG1  THR  22           HG1      THR  22   2.309  11.165 -12.432
  151   HG21  THR  22          1HG2      THR  22   1.994  12.669 -10.592
  152   HG22  THR  22          2HG2      THR  22   1.846  11.929  -8.981
  153   HG23  THR  22          3HG2      THR  22   3.412  11.915  -9.827
  154    H    THR  23           H        THR  23   3.687   7.139  -9.767
  155    HA   THR  23           HA       THR  23   2.399   5.891 -11.953
  156    HB   THR  23           HB       THR  23   3.835   4.609  -9.588
  157    HG1  THR  23           HG1      THR  23   5.337   4.510 -11.678
  158   HG21  THR  23          1HG2      THR  23   4.140   2.688 -11.099
  159   HG22  THR  23          2HG2      THR  23   2.413   2.994 -10.800
  160   HG23  THR  23          3HG2      THR  23   3.153   3.498 -12.337
  161    H    CYS  24           H        CYS  24   1.800   5.537  -8.451
  162    HA   CYS  24           HA       CYS  24  -0.288   3.622  -8.678
  163    HB2  CYS  24          1HB       CYS  24   0.834   4.168  -6.544
  164    HB3  CYS  24          2HB       CYS  24   0.129   5.777  -6.569
  165    H    ILE  25           H        ILE  25  -0.370   7.189  -8.578
  166    HA   ILE  25           HA       ILE  25  -3.181   7.497  -8.666
  167    HB   ILE  25           HB       ILE  25  -0.943   9.254  -9.742
  168   HG12  ILE  25          1HG1      ILE  25  -2.692   9.596  -7.300
  169   HG13  ILE  25          2HG1      ILE  25  -1.117   8.818  -7.267
  170   HG21  ILE  25          1HG2      ILE  25  -2.625  11.046  -9.882
  171   HG22  ILE  25          2HG2      ILE  25  -3.019   9.710 -10.988
  172   HG23  ILE  25          3HG2      ILE  25  -3.903   9.884  -9.454
  173   HD11  ILE  25          1HD1      ILE  25  -0.959  11.143  -6.577
  174   HD12  ILE  25          2HD1      ILE  25  -0.066  10.878  -8.094
  175   HD13  ILE  25          3HD1      ILE  25  -1.660  11.669  -8.125
  176    H    ILE  26           H        ILE  26  -0.810   7.205 -11.313
  177    HA   ILE  26           HA       ILE  26  -2.681   7.486 -13.443
  178    HB   ILE  26           HB       ILE  26   0.002   6.062 -13.277
  179   HG12  ILE  26          1HG1      ILE  26  -0.746   8.642 -14.661
  180   HG13  ILE  26          2HG1      ILE  26  -0.138   8.571 -13.015
  181   HG21  ILE  26          1HG2      ILE  26  -0.055   5.986 -15.737
  182   HG22  ILE  26          2HG2      ILE  26  -1.371   5.015 -15.037
  183   HG23  ILE  26          3HG2      ILE  26  -1.717   6.620 -15.722
  184   HD11  ILE  26          1HD1      ILE  26   1.644   9.084 -14.587
  185   HD12  ILE  26          2HD1      ILE  26   1.929   7.506 -13.810
  186   HD13  ILE  26          3HD1      ILE  26   1.313   7.580 -15.478
  187    H    ASN  27           H        ASN  27  -1.489   4.612 -11.705
  188    HA   ASN  27           HA       ASN  27  -2.864   2.689 -13.296
  189    HB2  ASN  27          1HB       ASN  27  -1.890   2.655 -10.429
  190    HB3  ASN  27          2HB       ASN  27  -2.671   1.267 -11.173
  191   HD21  ASN  27          1HD2      ASN  27   1.023   0.993 -11.519
  192   HD22  ASN  27          2HD2      ASN  27  -0.068   1.215 -10.193
  193    H    ASN  28           H        ASN  28  -3.860   4.472 -10.389
  194    HA   ASN  28           HA       ASN  28  -6.390   3.159 -10.108
  195    HB2  ASN  28          1HB       ASN  28  -5.348   5.856  -9.213
  196    HB3  ASN  28          2HB       ASN  28  -6.992   5.330  -8.874
  197   HD21  ASN  28          1HD2      ASN  28  -4.795   4.473  -6.010
  198   HD22  ASN  28          2HD2      ASN  28  -5.189   5.924  -6.869
  199    H    GLY  29           H        GLY  29  -5.370   6.028 -11.929
  200    HA2  GLY  29          1HA       GLY  29  -7.941   6.798 -12.890
  201    HA3  GLY  29          2HA       GLY  29  -6.413   7.138 -13.679
  202    H    ALA  30           H        ALA  30  -5.469   4.583 -14.230
  203    HA   ALA  30           HA       ALA  30  -6.887   3.931 -16.606
  204    HB1  ALA  30          1HB       ALA  30  -5.406   1.952 -16.700
  205    HB2  ALA  30          2HB       ALA  30  -4.503   3.434 -16.305
  206    HB3  ALA  30          3HB       ALA  30  -4.898   2.263 -15.024
  207    H    LEU  31           H        LEU  31  -6.892   2.436 -13.380
  208    HA   LEU  31           HA       LEU  31  -8.656   0.286 -14.064
  209    HB2  LEU  31          1HB       LEU  31  -8.057   1.678 -11.434
  210    HB3  LEU  31          2HB       LEU  31  -9.103   0.261 -11.563
  211    HG   LEU  31           HG       LEU  31  -6.181   0.308 -12.392
  212   HD11  LEU  31          1HD1      LEU  31  -5.789  -0.928 -10.308
  213   HD12  LEU  31          2HD1      LEU  31  -6.423   0.705  -9.995
  214   HD13  LEU  31          3HD1      LEU  31  -7.496  -0.708  -9.857
  215   HD21  LEU  31          1HD2      LEU  31  -6.470  -2.148 -12.394
  216   HD22  LEU  31          2HD2      LEU  31  -8.189  -1.946 -11.972
  217   HD23  LEU  31          3HD2      LEU  31  -7.585  -1.371 -13.545
  218    H    ALA  32           H        ALA  32  -9.210   3.587 -12.875
  219    HA   ALA  32           HA       ALA  32 -12.035   3.366 -12.581
  220    HB1  ALA  32          1HB       ALA  32 -12.033   5.833 -12.754
  221    HB2  ALA  32          2HB       ALA  32 -10.752   5.248 -11.667
  222    HB3  ALA  32          3HB       ALA  32 -10.346   5.785 -13.313
  223    H    TRP  33           H        TRP  33  -9.999   4.181 -15.372
  224    HA   TRP  33           HA       TRP  33 -12.190   4.782 -17.132
  225    HB2  TRP  33          1HB       TRP  33  -9.349   3.865 -17.729
  226    HB3  TRP  33          2HB       TRP  33 -10.484   4.442 -18.940
  227    HD1  TRP  33           HD1      TRP  33 -11.571   6.850 -16.833
  228    HE1  TRP  33           HE1      TRP  33 -10.117   8.982 -16.680
  229    HE3  TRP  33           HE3      TRP  33  -7.181   4.943 -18.677
  230    HZ2  TRP  33           HZ2      TRP  33  -7.459   9.729 -17.266
  231    HZ3  TRP  33           HZ3      TRP  33  -5.219   6.421 -18.858
  232    HH2  TRP  33           HH2      TRP  33  -5.348   8.776 -18.162
  233    H    ALA  34           H        ALA  34 -10.408   1.819 -16.346
  234    HA   ALA  34           HA       ALA  34 -11.585   0.246 -18.447
  235    HB1  ALA  34          1HB       ALA  34 -10.694  -1.685 -17.185
  236    HB2  ALA  34          2HB       ALA  34  -9.479  -0.397 -17.362
  237    HB3  ALA  34          3HB       ALA  34 -10.329  -0.613 -15.814
  238    H    THR  35           H        THR  35 -12.448   0.860 -15.066
  239    HA   THR  35           HA       THR  35 -14.667  -1.090 -15.272
  240    HB   THR  35           HB       THR  35 -14.947  -0.714 -12.842
  241    HG1  THR  35           HG1      THR  35 -12.655   0.967 -12.964
  242   HG21  THR  35          1HG2      THR  35 -12.781  -1.628 -12.106
  243   HG22  THR  35          2HG2      THR  35 -13.317  -2.401 -13.616
  244   HG23  THR  35          3HG2      THR  35 -12.049  -1.154 -13.656
  245    H    GLY  36           H        GLY  36 -14.072   2.277 -15.525
  246    HA2  GLY  36          1HA       GLY  36 -15.610   3.935 -16.174
  247    HA3  GLY  36          2HA       GLY  36 -16.928   2.803 -15.937
  248    H    GLY  37           H        GLY  37 -14.465   3.371 -13.484
  249    HA2  GLY  37          1HA       GLY  37 -16.595   4.439 -11.689
  250    HA3  GLY  37          2HA       GLY  37 -15.117   3.652 -11.167
  251    H    HIS  38           H        HIS  38 -14.273   5.240  -9.886
  252    HA   HIS  38           HA       HIS  38 -13.421   7.739 -11.290
  253    HB2  HIS  38          1HB       HIS  38 -14.612   7.583  -8.495
  254    HB3  HIS  38          2HB       HIS  38 -13.864   9.010  -9.200
  255    HD2  HIS  38           HD2      HIS  38 -17.215   7.021  -9.397
  256    HE1  HIS  38           HE1      HIS  38 -17.564  10.498 -11.837
  257    HE2  HIS  38           HE2      HIS  38 -18.805   8.523 -10.808
  258    H    GLN  39           H        GLN  39 -11.476   8.600 -10.686
  259    HA   GLN  39           HA       GLN  39  -9.532   6.761  -9.660
  260    HB2  GLN  39          1HB       GLN  39  -9.014   8.621 -11.244
  261    HB3  GLN  39          2HB       GLN  39  -9.335   9.784  -9.967
  262    HG2  GLN  39          1HG       GLN  39  -7.483   8.879  -8.647
  263    HG3  GLN  39          2HG       GLN  39  -7.161   7.680  -9.932
  264   HE21  GLN  39          1HE2      GLN  39  -5.567   9.927 -12.125
  265   HE22  GLN  39          2HE2      GLN  39  -6.385   8.407 -11.979
  266    H    GLY  40           H        GLY  40  -9.247   6.126  -7.659
  267    HA2  GLY  40          1HA       GLY  40  -8.626   6.973  -5.351
  268    HA3  GLY  40          2HA       GLY  40 -10.041   8.003  -5.458
  269    H    ASN  41           H        ASN  41 -11.214   5.517  -7.046
  270    HA   ASN  41           HA       ASN  41 -12.138   4.077  -4.618
  271    HB2  ASN  41          1HB       ASN  41 -13.137   4.124  -7.481
  272    HB3  ASN  41          2HB       ASN  41 -13.760   3.022  -6.260
  273   HD21  ASN  41          1HD2      ASN  41 -15.677   6.308  -6.562
  274   HD22  ASN  41          2HD2      ASN  41 -14.982   5.286  -7.775
  275    H    HIS  42           H        HIS  42  -9.461   3.840  -6.124
  276    HA   HIS  42           HA       HIS  42  -9.526   0.856  -6.307
  277    HB2  HIS  42          1HB       HIS  42  -8.080   2.683  -8.260
  278    HB3  HIS  42          2HB       HIS  42  -8.056   0.926  -8.263
  279    HD1  HIS  42           HD1      HIS  42 -10.460  -0.257  -8.736
  280    HD2  HIS  42           HD2      HIS  42 -10.261   3.833  -9.729
  281    HE1  HIS  42           HE1      HIS  42 -12.296   0.148 -10.296
  282    H    LYS  43           H        LYS  43  -7.565  -0.203  -5.887
  283    HA   LYS  43           HA       LYS  43  -5.648   1.494  -4.343
  284    HB2  LYS  43          1HB       LYS  43  -6.482  -1.400  -3.896
  285    HB3  LYS  43          2HB       LYS  43  -5.171  -0.604  -3.035
  286    HG2  LYS  43          1HG       LYS  43  -6.791   1.048  -2.130
  287    HG3  LYS  43          2HG       LYS  43  -8.097   0.186  -2.956
  288    HD2  LYS  43          1HD       LYS  43  -7.551  -1.865  -1.680
  289    HD3  LYS  43          2HD       LYS  43  -6.249  -0.999  -0.852
  290    HE2  LYS  43          1HE       LYS  43  -7.891   0.584   0.091
  291    HE3  LYS  43          2HE       LYS  43  -9.197  -0.256  -0.750
  292    HZ1  LYS  43          1HZ       LYS  43  -9.019  -0.956   1.523
  293    HZ2  LYS  43          2HZ       LYS  43  -8.674  -2.222   0.523
  294    HZ3  LYS  43          3HZ       LYS  43  -7.456  -1.436   1.310
  295    H    CYS  44           H        CYS  44  -3.431   0.769  -4.268
  296    HA   CYS  44           HA       CYS  44  -2.658  -0.469  -6.871
  297    HB2  CYS  44          1HB       CYS  44  -1.098   1.412  -5.056
  298    HB3  CYS  44          2HB       CYS  44  -0.482   0.705  -6.543