*HEADER    HYDROGENASE                             13-MAR-00   1E08
*TITLE     STRUCTURAL MODEL OF THE [FE]-HYDROGENASE/CYTOCHROME C553
*TITLE    2 COMPLEX COMBINING NMR AND SOFT-DOCKING
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: [FE]-HYDROGENASE (LARGE SUBUNIT);
*COMPND   3 CHAIN: A;
*COMPND   4 MOL_ID: 2;
*COMPND   5 MOLECULE: [FE]-HYDROGENASE (SMALL SUBUNIT);
*COMPND   6 CHAIN: D;
*COMPND   7 MOL_ID: 3;
*COMPND   8 MOLECULE: CYTOCHROME C553;
*COMPND   9 CHAIN: E
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO DESULFURICANS;
*SOURCE   3 ATCC: 7757;
*SOURCE   4 CELLULAR_LOCATION: PERIPLASM;
*SOURCE   5 MOL_ID: 2;
*SOURCE   6 ORGANISM_SCIENTIFIC: DESULFOVIBRIO DESULFURICANS;
*SOURCE   7 ATCC: 7757;
*SOURCE   8 CELLULAR_LOCATION: PERIPLASM;
*SOURCE   9 MOL_ID: 3;
*SOURCE  10 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS;
*SOURCE  11 STRAIN: HILDENBOROUGH;
*SOURCE  12 CELLULAR_LOCATION: PERIPLASM
*KEYWDS    HYDROGENASE, CYTOCHROME C553, ELECTRON TRANSFER COMPLEX
*EXPDTA    NMR, 2 STRUCTURES; THEORETICAL MODEL
*AUTHOR    X.MORELLI,M.CZJZEK,C.E.HATCHIKIAN,O.BORNET,
*AUTHOR   2 J.C.FONTECILLA-CAMPS,P.N.PALMA,J.J.G.MOURA,F.GUERLESQUIN




  Entry H atom name         Submitted Coord H atom name
    1    H1   PHE  27           H1       PHE  27  11.496 -12.377   2.971
    2    H2   PHE  27           H2       PHE  27  10.105 -12.511   2.083
    3    H3   PHE  27           H3       PHE  27  10.739 -13.793   3.009
    4   2HE2  GLN  29          2HE2      GLN  29  17.245 -12.978  -3.122
    5   1HE2  GLN  29          1HE2      GLN  29  15.707 -13.758  -3.466
    6    H    ILE  30           H        ILE  30  18.300  -9.838   0.999
    7    H    ASP  31           H        ASP  31  21.495  -7.718  -1.542
    8    H    GLU  32           H        GLU  32  23.058 -11.347  -1.003
    9    H    ALA  33           H        ALA  33  25.608  -9.042  -0.446
   10    H    LYS  34           H        LYS  34  25.816  -7.669  -0.657
   11   1HZ   LYS  34          1HZ       LYS  34  24.790  -4.412  -6.441
   12   2HZ   LYS  34          2HZ       LYS  34  25.456  -5.638  -7.321
   13   3HZ   LYS  34          3HZ       LYS  34  24.177  -5.939  -6.324
   14    H    CYS  35           H        CYS  35  27.347  -6.140   1.997
   15    H    ILE  36           H        ILE  36  26.501  -2.851   3.816
   16    H    GLY  37           H        GLY  37  27.791  -4.000   6.254
   17    H    CYS  38           H        CYS  38  26.835  -0.608   8.800
   18    H    ASP  39           H        ASP  39  23.369  -1.773   8.156
   19    H    THR  40           H        THR  40  19.894  -0.774  10.766
   20    HG1  THR  40           HG1      THR  40  20.716   2.371  10.589
   21    H    CYS  41           H        CYS  41  19.083  -1.415   7.722
   22    H    SER  42           H        SER  42  18.639  -3.515   8.993
   23    HG   SER  42           HG       SER  42  20.705  -4.670   9.742
   24    H    GLN  43           H        GLN  43  15.540  -3.045  10.252
   25   2HE2  GLN  43          2HE2      GLN  43  17.371  -2.715  13.934
   26   1HE2  GLN  43          1HE2      GLN  43  17.225  -2.311  15.630
   27    H    TYR  44           H        TYR  44  14.118  -3.877  10.043
   28    HH   TYR  44           HH       TYR  44  13.380   3.136  10.630
   29    H    CYS  45           H        CYS  45  12.662  -5.945  11.064
   30    H    THR  47           H        THR  47   9.767 -10.341  11.484
   31    HG1  THR  47           HG1      THR  47   9.552 -11.938   9.711
   32    H    ALA  48           H        ALA  48  11.774  -9.812  12.639
   33    H    ALA  49           H        ALA  49  13.327 -10.531  10.519
   34    H    ILE  50           H        ILE  50  15.704 -10.471   9.974
   35    H    PHE  51           H        PHE  51  19.681 -11.932   8.839
   36    H    GLY  52           H        GLY  52  22.771 -11.852  11.836
   37    H    GLU  53           H        GLU  53  25.958  -9.621  10.543
   38    H    MET  54           H        MET  54  25.564  -8.351  14.645
   39    H    GLY  55           H        GLY  55  24.529  -5.127  12.116
   40    H    GLU  56           H        GLU  56  26.503  -5.869  10.944
   41    H    HIS  58           H        HIS  58  25.012  -8.785   5.826
   42    HD1  HIS  58           HD1      HIS  58  24.793  -6.456   8.558
   43    H    SER  59           H        SER  59  21.759 -11.097   7.245
   44    HG   SER  59           HG       SER  59  23.753 -11.870   4.806
   45    H    ILE  60           H        ILE  60  19.316 -12.483   3.954
   46    H    HIS  62           H        HIS  62  15.785 -15.533   6.393
   47    HD1  HIS  62           HD1      HIS  62  16.404 -18.879   7.731
   48    H    GLU  64           H        GLU  64  10.431 -17.782   4.536
   49    H    CYS  66           H        CYS  66  10.265 -13.942   5.703
   50    H    ILE  67           H        ILE  67   7.900 -10.681   6.263
   51    H    ASN  68           H        ASN  68   8.193 -10.329   3.408
   52   2HD2  ASN  68          2HD2      ASN  68   5.788 -11.294  -0.713
   53   1HD2  ASN  68          1HD2      ASN  68   6.861 -12.670  -0.638
   54    H    CYS  69           H        CYS  69   7.653  -7.633   3.871
   55    H    GLY  70           H        GLY  70   9.501  -5.317   2.471
   56    H    GLN  71           H        GLN  71  10.418  -0.995   2.017
   57   2HE2  GLN  71          2HE2      GLN  71  13.298   1.441   4.244
   58   1HE2  GLN  71          1HE2      GLN  71  13.341   3.130   3.845
   59    H    CYS  72           H        CYS  72  12.961  -2.836   3.516
   60    H    LEU  73           H        LEU  73  13.979  -2.368   1.008
   61    H    THR  74           H        THR  74  14.319   0.348   0.399
   62    HG1  THR  74           HG1      THR  74  12.329   2.058   0.228
   63    H    HIS  75           H        HIS  75  16.741   0.332   1.724
   64    HD1  HIS  75           HD1      HIS  75  16.474  -0.924   5.561
   65    H    CYS  76           H        CYS  76  18.479  -0.176   0.743
   66    H    GLU  78           H        GLU  78  21.384   0.753  -3.160
   67    H    ASN  79           H        ASN  79  19.511  -0.466  -4.526
   68   2HD2  ASN  79          2HD2      ASN  79  20.290  -4.557  -7.834
   69   1HD2  ASN  79          1HD2      ASN  79  18.929  -5.566  -8.295
   70    H    ALA  80           H        ALA  80  20.544  -2.356  -3.159
   71    H    ILE  81           H        ILE  81  19.832  -3.422  -1.729
   72    H    TYR  82           H        TYR  82  18.171  -6.962  -2.890
   73    HH   TYR  82           HH       TYR  82  19.045 -12.829  -4.071
   74    H    GLU  83           H        GLU  83  16.049  -4.672  -6.162
   75    H    ALA  84           H        ALA  84  14.117  -7.196  -4.787
   76    H    GLN  85           H        GLN  85  11.759  -8.392  -8.227
   77   2HE2  GLN  85          2HE2      GLN  85  15.794  -8.989  -9.156
   78   1HE2  GLN  85          1HE2      GLN  85  17.016  -8.404 -10.296
   79    H    SER  86           H        SER  86  12.883  -6.146 -11.268
   80    HG   SER  86           HG       SER  86  11.535  -4.814  -8.924
   81    H    TRP  87           H        TRP  87   9.209  -5.522 -13.049
   82    HE1  TRP  87           HE1      TRP  87   5.372  -9.703 -14.515
   83    H    VAL  88           H        VAL  88  12.059  -4.653 -14.628
   84    H    GLU  90           H        GLU  90  11.229  -6.176 -18.465
   85    H    VAL  91           H        VAL  91   9.470  -4.904 -18.539
   86    H    GLU  92           H        GLU  92  10.403  -3.088 -20.264
   87    H    LYS  93           H        LYS  93  10.477  -4.764 -22.458
   88   1HZ   LYS  93          1HZ       LYS  93   9.842 -11.046 -22.369
   89   2HZ   LYS  93          2HZ       LYS  93   8.210 -11.146 -22.156
   90   3HZ   LYS  93          3HZ       LYS  93   8.886 -11.618 -23.585
   91    H    LYS  94           H        LYS  94   7.657  -5.098 -22.844
   92   1HZ   LYS  94          1HZ       LYS  94   4.829  -9.540 -26.145
   93   2HZ   LYS  94          2HZ       LYS  94   4.428 -10.888 -25.284
   94   3HZ   LYS  94          3HZ       LYS  94   3.346  -9.651 -25.431
   95    H    LEU  95           H        LEU  95   7.443  -2.814 -24.087
   96    H    LYS  96           H        LYS  96   8.195  -2.460 -26.097
   97   1HZ   LYS  96          1HZ       LYS  96  13.034  -2.672 -25.667
   98   2HZ   LYS  96          2HZ       LYS  96  11.446  -3.097 -25.539
   99   3HZ   LYS  96          3HZ       LYS  96  12.618  -4.256 -25.465
  100    H    ASP  97           H        ASP  97   7.222  -4.513 -27.328
  101    H    GLY  98           H        GLY  98   4.421  -3.237 -28.694
  102    H    LYS  99           H        LYS  99   2.362  -5.846 -27.591
  103   1HZ   LYS  99          1HZ       LYS  99   3.182  -7.010 -32.919
  104   2HZ   LYS  99          2HZ       LYS  99   1.879  -7.027 -33.930
  105   3HZ   LYS  99          3HZ       LYS  99   3.150  -6.023 -34.240
  106    H    VAL 100           H        VAL 100   1.207  -6.104 -26.159
  107    H    LYS 101           H        LYS 101  -1.825  -5.323 -23.831
  108   1HZ   LYS 101          1HZ       LYS 101  -4.773  -3.453 -27.561
  109   2HZ   LYS 101          2HZ       LYS 101  -4.233  -2.157 -28.425
  110   3HZ   LYS 101          3HZ       LYS 101  -4.501  -3.598 -29.181
  111    H    CYS 102           H        CYS 102   0.984  -1.792 -23.444
  112    H    ILE 103           H        ILE 103  -0.070  -2.124 -19.302
  113    H    ALA 104           H        ALA 104  -0.019   1.678 -17.802
  114    H    MET 105           H        MET 105   0.537   0.040 -13.582
  115    H    ALA 107           H        ALA 107   1.455   2.339  -7.686
  116    H    ALA 109           H        ALA 109  -1.052   6.413  -3.216
  117    H    VAL 110           H        VAL 110   1.313   5.683  -3.223
  118    H    ARG 111           H        ARG 111   2.195   6.622  -5.605
  119    HE   ARG 111           HE       ARG 111  -0.035   7.868  -8.815
  120   1HH1  ARG 111          1HH1      ARG 111   0.078   7.813 -12.373
  121   2HH1  ARG 111          2HH1      ARG 111  -1.637   7.505 -12.533
  122   1HH2  ARG 111          1HH2      ARG 111  -2.268   7.455  -9.067
  123   2HH2  ARG 111          2HH2      ARG 111  -2.961   7.302 -10.666
  124    H    TYR 112           H        TYR 112   2.769   9.093  -4.628
  125    HH   TYR 112           HH       TYR 112  -2.815  12.466  -2.217
  126    H    ALA 113           H        ALA 113   4.991   9.056  -3.824
  127    H    LEU 114           H        LEU 114   6.675   9.854  -5.896
  128    H    GLY 115           H        GLY 115   8.722  11.174  -6.736
  129    H    ASP 116           H        ASP 116  11.075  11.096  -5.295
  130    H    ALA 117           H        ALA 117  13.534  11.340  -5.112
  131    H    PHE 118           H        PHE 118  13.722  13.577  -6.928
  132    H    GLY 119           H        GLY 119  15.326  15.465  -6.568
  133    H    MET 120           H        MET 120  13.082  16.169  -5.409
  134    H    VAL 122           H        VAL 122   7.257  17.205  -0.926
  135    H    GLY 123           H        GLY 123   3.881  17.735  -3.383
  136    H    SER 124           H        SER 124   5.369  19.365  -4.411
  137    HG   SER 124           HG       SER 124   7.060  18.057  -4.891
  138    H    VAL 125           H        VAL 125   2.750  18.019  -7.850
  139    H    THR 126           H        THR 126   3.547  14.531  -6.808
  140    HG1  THR 126           HG1      THR 126   5.429  13.339  -5.875
  141    H    THR 127           H        THR 127   1.537  12.389  -7.480
  142    HG1  THR 127           HG1      THR 127   0.345  10.353  -6.197
  143    H    GLY 128           H        GLY 128   0.524  13.906  -9.686
  144    H    LYS 129           H        LYS 129   1.766  13.003 -11.702
  145   1HZ   LYS 129          1HZ       LYS 129   4.223  16.564  -9.442
  146   2HZ   LYS 129          2HZ       LYS 129   5.292  15.628  -8.604
  147   3HZ   LYS 129          3HZ       LYS 129   5.444  17.270  -8.586
  148    H    MET 130           H        MET 130   0.689  12.610 -13.811
  149    H    LEU 131           H        LEU 131   0.166  13.211 -16.330
  150    H    ALA 132           H        ALA 132   4.297  14.681 -17.245
  151    H    ALA 133           H        ALA 133   4.596  12.519 -16.543
  152    H    LEU 134           H        LEU 134   3.998  10.170 -16.739
  153    H    GLN 135           H        GLN 135   3.044   9.947 -18.703
  154   2HE2  GLN 135          2HE2      GLN 135   2.627  10.229 -24.371
  155   1HE2  GLN 135          1HE2      GLN 135   3.544  11.648 -24.846
  156    H    LYS 136           H        LYS 136   5.334  10.287 -20.580
  157   1HZ   LYS 136          1HZ       LYS 136   7.661  13.378 -23.818
  158   2HZ   LYS 136          2HZ       LYS 136   8.038  14.897 -23.297
  159   3HZ   LYS 136          3HZ       LYS 136   9.127  14.036 -24.189
  160    H    LEU 137           H        LEU 137   5.954   7.746 -20.761
  161    H    GLY 138           H        GLY 138   4.758   6.957 -22.727
  162    H    PHE 139           H        PHE 139   3.471   5.732 -20.775
  163    H    ALA 140           H        ALA 140  -0.204   5.786 -21.626
  164    H    HIS 141           H        HIS 141  -1.434   4.876 -19.851
  165    HD1  HIS 141           HD1      HIS 141  -5.085   5.896 -20.331
  166    H    CYS 142           H        CYS 142  -1.940   2.889 -16.299
  167    H    TRP 143           H        TRP 143  -5.849   1.481 -15.058
  168    HE1  TRP 143           HE1      TRP 143  -8.273   3.049 -20.160
  169    H    ASP 144           H        ASP 144  -7.401   5.468 -13.774
  170    H    THR 145           H        THR 145  -4.716   4.376 -10.240
  171    HG1  THR 145           HG1      THR 145  -2.622   3.694  -9.431
  172    H    GLU 146           H        GLU 146  -7.572   5.336  -8.952
  173    H    PHE 147           H        PHE 147  -9.743   5.800  -8.688
  174    H    THR 148           H        THR 148 -10.024   3.291  -8.059
  175    HG1  THR 148           HG1      THR 148  -8.628   1.900  -9.453
  176    H    ALA 149           H        ALA 149  -9.445   3.731  -5.328
  177    H    ASP 150           H        ASP 150 -11.160   4.221  -4.264
  178    H    VAL 151           H        VAL 151 -12.652   2.551  -3.948
  179    H    THR 152           H        THR 152 -11.152   0.854  -2.118
  180    HG1  THR 152           HG1      THR 152  -9.657  -0.576  -2.271
  181    H    ILE 153           H        ILE 153 -11.336   2.615   0.115
  182    H    TRP 154           H        TRP 154 -13.968   2.778   0.364
  183    HE1  TRP 154           HE1      TRP 154 -16.779   6.395  -2.050
  184    H    GLU 155           H        GLU 155 -14.728   0.190   1.114
  185    H    GLU 156           H        GLU 156 -13.338  -0.197   3.448
  186    H    GLY 157           H        GLY 157 -14.334   1.913   4.848
  187    H    SER 158           H        SER 158 -17.007   1.303   4.984
  188    HG   SER 158           HG       SER 158 -18.407   1.372   3.555
  189    H    GLU 159           H        GLU 159 -16.843  -0.858   6.574
  190    H    PHE 160           H        PHE 160 -15.851   0.248   8.833
  191    H    VAL 161           H        VAL 161 -17.972   1.889   9.440
  192    H    GLU 162           H        GLU 162 -19.835  -0.076  10.007
  193    H    ARG 163           H        ARG 163 -18.685  -0.990  12.216
  194    HE   ARG 163           HE       ARG 163 -14.201  -3.240  11.590
  195   1HH1  ARG 163          1HH1      ARG 163 -15.275  -4.527  14.729
  196   2HH1  ARG 163          2HH1      ARG 163 -14.928  -6.185  14.290
  197   1HH2  ARG 163          1HH2      ARG 163 -13.765  -5.414  11.059
  198   2HH2  ARG 163          2HH2      ARG 163 -14.076  -6.685  12.220
  199    H    LEU 164           H        LEU 164 -18.830   1.126  13.884
  200    H    THR 165           H        THR 165 -21.683   0.877  14.302
  201    HG1  THR 165           HG1      THR 165 -22.726   1.117  12.775
  202    H    LYS 166           H        LYS 166 -21.766  -0.446  16.256
  203   1HZ   LYS 166          1HZ       LYS 166 -22.987  -0.154  23.549
  204   2HZ   LYS 166          2HZ       LYS 166 -22.405   1.390  23.542
  205   3HZ   LYS 166          3HZ       LYS 166 -23.884   1.062  22.889
  206    H    LYS 167           H        LYS 167 -23.154  -2.045  14.888
  207   1HZ   LYS 167          1HZ       LYS 167 -25.084  -5.610   9.968
  208   2HZ   LYS 167          2HZ       LYS 167 -25.734  -5.522   8.455
  209   3HZ   LYS 167          3HZ       LYS 167 -24.399  -4.630   8.832
  210    H    SER 168           H        SER 168 -21.627  -3.627  13.930
  211    HG   SER 168           HG       SER 168 -22.386  -6.075  12.012
  212    H    ASP 169           H        ASP 169 -20.780  -5.379  16.183
  213    H    MET 170           H        MET 170 -17.763  -6.447  15.371
  214    H    LEU 172           H        LEU 172 -13.735  -7.878  17.786
  215    H    GLN 174           H        GLN 174 -10.885  -3.768  14.081
  216   2HE2  GLN 174          2HE2      GLN 174  -9.677  -3.339   8.244
  217   1HE2  GLN 174          1HE2      GLN 174 -11.168  -3.084   7.349
  218    H    PHE 175           H        PHE 175  -8.125  -6.144  11.232
  219    H    THR 176           H        THR 176  -4.248  -4.041  10.319
  220    HG1  THR 176           HG1      THR 176  -2.159  -2.809   9.948
  221    H    SER 177           H        SER 177  -6.453  -5.404   7.076
  222    HG   SER 177           HG       SER 177  -8.616  -6.152   5.975
  223    H    CYS 178           H        CYS 178  -5.567  -4.154   5.150
  224    H    CYS 179           H        CYS 179  -2.752  -4.223   5.174
  225    H    GLY 181           H        GLY 181   1.699  -6.241   3.865
  226    H    TRP 182           H        TRP 182   0.786  -6.801   6.079
  227    HE1  TRP 182           HE1      TRP 182  -2.781  -6.079  12.040
  228    H    GLN 183           H        GLN 183  -0.994  -8.120   5.603
  229   2HE2  GLN 183          2HE2      GLN 183  -4.178  -7.859   2.504
  230   1HE2  GLN 183          1HE2      GLN 183  -4.679  -8.446   0.926
  231    H    LYS 184           H        LYS 184   0.155 -10.354   4.533
  232   1HZ   LYS 184          1HZ       LYS 184   6.683 -13.145   2.609
  233   2HZ   LYS 184          2HZ       LYS 184   6.747 -14.652   1.942
  234   3HZ   LYS 184          3HZ       LYS 184   6.005 -13.423   1.132
  235    H    TYR 185           H        TYR 185   1.358 -11.133   6.792
  236    HH   TYR 185           HH       TYR 185   3.893 -13.018  14.738
  237    H    ALA 186           H        ALA 186  -0.910 -11.830   8.323
  238    H    GLU 187           H        GLU 187  -1.837 -14.118   6.805
  239    H    THR 188           H        THR 188   0.292 -15.699   7.373
  240    HG1  THR 188           HG1      THR 188   1.675 -15.603   5.921
  241    H    TYR 189           H        TYR 189   0.950 -15.871   9.824
  242    HH   TYR 189           HH       TYR 189   7.094 -16.337   7.701
  243    H    TYR 190           H        TYR 190  -0.860 -16.054  10.998
  244    HH   TYR 190           HH       TYR 190   1.283 -11.649  17.137
  245    H    GLU 192           H        GLU 192  -4.877 -18.049  13.406
  246    H    LEU 193           H        LEU 193  -5.708 -16.128  12.689
  247    H    LEU 194           H        LEU 194  -7.539 -15.750  11.137
  248    H    HIS 196           H        HIS 196  -8.846 -11.435  11.664
  249    HD1  HIS 196           HD1      HIS 196  -9.414  -7.993  15.255
  250    H    PHE 197           H        PHE 197  -9.453 -10.461   9.420
  251    H    SER 198           H        SER 198 -10.854  -7.991   8.062
  252    HG   SER 198           HG       SER 198 -12.503  -6.335   8.620
  253    H    THR 199           H        THR 199 -11.117  -9.273   3.904
  254    HG1  THR 199           HG1      THR 199  -9.767 -10.534   4.501
  255    H    CYS 200           H        CYS 200  -9.903  -5.893   3.260
  256    H    LYS 201           H        LYS 201  -9.041  -5.920  -0.744
  257   1HZ   LYS 201          1HZ       LYS 201 -10.425  -9.483  -5.243
  258   2HZ   LYS 201          2HZ       LYS 201 -11.001  -8.403  -6.349
  259   3HZ   LYS 201          3HZ       LYS 201  -9.401  -8.805  -6.343
  260    H    SER 202           H        SER 202  -4.903  -4.303  -0.594
  261    HG   SER 202           HG       SER 202  -2.329  -4.342  -0.771
  262    H    ILE 204           H        ILE 204  -2.931  -2.528  -5.773
  263    H    GLY 205           H        GLY 205  -4.678  -4.172  -5.313
  264    H    MET 206           H        MET 206  -7.455  -3.321  -4.999
  265    H    ASN 207           H        ASN 207  -7.048  -2.145  -7.706
  266   2HD2  ASN 207          2HD2      ASN 207  -5.249  -0.333 -12.140
  267   1HD2  ASN 207          1HD2      ASN 207  -5.915   1.305 -12.253
  268    H    GLY 208           H        GLY 208  -6.817  -4.257  -9.306
  269    H    ALA 209           H        ALA 209  -8.979  -5.294  -9.164
  270    H    LEU 210           H        LEU 210 -10.904  -3.700  -9.863
  271    H    ALA 211           H        ALA 211 -10.409  -1.784 -11.579
  272    H    LYS 212           H        LYS 212  -8.954  -2.813 -13.370
  273   1HZ   LYS 212          1HZ       LYS 212  -4.599  -8.708 -14.771
  274   2HZ   LYS 212          2HZ       LYS 212  -6.069  -9.310 -15.215
  275   3HZ   LYS 212          3HZ       LYS 212  -4.800  -9.374 -16.266
  276    H    THR 213           H        THR 213 -10.353  -4.970 -14.696
  277    HG1  THR 213           HG1      THR 213 -11.587  -6.251 -13.225
  278    H    TYR 214           H        TYR 214 -12.527  -3.337 -15.441
  279    HH   TYR 214           HH       TYR 214 -20.219  -0.301 -16.433
  280    H    GLY 215           H        GLY 215 -11.505  -1.556 -16.982
  281    H    ALA 216           H        ALA 216 -10.348  -2.984 -18.896
  282    H    GLU 217           H        GLU 217 -12.648  -4.134 -19.984
  283    H    ARG 218           H        ARG 218 -13.820  -1.739 -21.060
  284    HE   ARG 218           HE       ARG 218 -18.373   0.544 -19.602
  285   1HH1  ARG 218          1HH1      ARG 218 -18.337  -1.818 -22.260
  286   2HH1  ARG 218          2HH1      ARG 218 -19.677  -2.741 -21.615
  287   1HH2  ARG 218          1HH2      ARG 218 -20.124  -0.692 -18.782
  288   2HH2  ARG 218          2HH2      ARG 218 -20.687  -2.104 -19.648
  289    H    MET 219           H        MET 219 -12.116  -1.218 -22.882
  290    H    LYS 220           H        LYS 220 -12.720  -2.466 -24.815
  291   1HZ   LYS 220          1HZ       LYS 220 -15.959  -2.083 -31.376
  292   2HZ   LYS 220          2HZ       LYS 220 -16.847  -0.806 -30.827
  293   3HZ   LYS 220          3HZ       LYS 220 -15.239  -0.618 -31.143
  294    H    TYR 221           H        TYR 221 -10.877  -4.371 -24.286
  295    HH   TYR 221           HH       TYR 221  -5.918   0.026 -26.924
  296    H    ASP 222           H        ASP 222  -8.259  -7.894 -24.736
  297    H    LYS 224           H        LYS 224  -6.922 -10.561 -21.130
  298   1HZ   LYS 224          1HZ       LYS 224  -6.044 -16.808 -22.273
  299   2HZ   LYS 224          2HZ       LYS 224  -4.778 -17.484 -21.461
  300   3HZ   LYS 224          3HZ       LYS 224  -6.245 -17.335 -20.723
  301    H    GLN 225           H        GLN 225  -5.433  -9.093 -22.259
  302   2HE2  GLN 225          2HE2      GLN 225  -3.146 -12.109 -25.229
  303   1HE2  GLN 225          1HE2      GLN 225  -4.528 -12.985 -24.594
  304    H    VAL 226           H        VAL 226  -3.991  -7.931 -20.837
  305    H    TYR 227           H        TYR 227  -1.241  -4.853 -20.707
  306    HH   TYR 227           HH       TYR 227   6.452  -7.752 -18.020
  307    H    THR 228           H        THR 228  -1.274  -6.101 -17.170
  308    HG1  THR 228           HG1      THR 228  -2.415  -7.274 -15.437
  309    H    VAL 229           H        VAL 229   0.442  -2.315 -16.010
  310    H    SER 230           H        SER 230   1.756  -3.946 -12.906
  311    HG   SER 230           HG       SER 230   0.324  -5.600 -11.543
  312    H    ILE 231           H        ILE 231   1.891  -0.262 -10.382
  313    H    MET 232           H        MET 232   5.178  -1.188  -7.899
  314    H    CYS 234           H        CYS 234   5.381  -2.245  -3.242
  315    H    ILE 235           H        ILE 235   7.438  -5.366  -1.096
  316    H    ALA 236           H        ALA 236   5.727  -6.782  -0.501
  317    H    LYS 237           H        LYS 237   3.744  -5.773  -2.182
  318   1HZ   LYS 237          1HZ       LYS 237   0.038   0.117  -2.020
  319   2HZ   LYS 237          2HZ       LYS 237   0.058   0.258  -0.377
  320   3HZ   LYS 237          3HZ       LYS 237   1.476   0.165  -1.214
  321    H    LYS 238           H        LYS 238   4.195  -6.695  -4.243
  322   1HZ   LYS 238          1HZ       LYS 238   9.887  -6.150  -7.686
  323   2HZ   LYS 238          2HZ       LYS 238  10.212  -4.733  -6.908
  324   3HZ   LYS 238          3HZ       LYS 238  10.137  -6.143  -6.056
  325    H    TYR 239           H        TYR 239   4.130  -9.183  -4.108
  326    HH   TYR 239           HH       TYR 239   3.364 -17.482  -2.397
  327    H    GLU 240           H        GLU 240   1.468  -9.309  -3.696
  328    H    GLY 241           H        GLY 241   0.514  -9.746  -6.336
  329    H    LEU 242           H        LEU 242   0.318 -12.295  -6.400
  330    H    ARG 243           H        ARG 243  -1.872 -13.125  -5.828
  331    HE   ARG 243           HE       ARG 243  -1.639 -13.632  -0.078
  332   1HH1  ARG 243          1HH1      ARG 243   0.204 -10.588  -0.121
  333   2HH1  ARG 243          2HH1      ARG 243  -0.307 -10.119   1.485
  334   1HH2  ARG 243          1HH2      ARG 243  -2.280 -12.992   2.020
  335   2HH2  ARG 243          2HH2      ARG 243  -1.717 -11.480   2.696
  336    H    GLU 245           H        GLU 245  -5.628 -13.531  -3.504
  337    H    LEU 246           H        LEU 246  -5.377 -12.360  -5.909
  338    H    LYS 247           H        LYS 247  -7.438 -13.199  -7.532
  339   1HZ   LYS 247          1HZ       LYS 247  -9.890 -18.670  -8.135
  340   2HZ   LYS 247          2HZ       LYS 247 -10.235 -18.674  -6.522
  341   3HZ   LYS 247          3HZ       LYS 247 -10.026 -17.244  -7.318
  342    H    SER 248           H        SER 248  -8.744 -11.872  -8.777
  343    HG   SER 248           HG       SER 248  -9.029 -10.534  -7.155
  344    H    SER 249           H        SER 249  -9.801 -10.891 -11.189
  345    HG   SER 249           HG       SER 249  -9.348  -8.547 -12.085
  346    H    GLY 250           H        GLY 250 -10.529 -13.612 -12.085
  347    H    MET 251           H        MET 251  -8.516 -13.803 -13.132
  348    H    ARG 252           H        ARG 252  -4.482 -14.403 -13.718
  349    HE   ARG 252           HE       ARG 252  -4.047 -16.173  -8.121
  350   1HH1  ARG 252          1HH1      ARG 252  -0.844 -17.506  -8.895
  351   2HH1  ARG 252          2HH1      ARG 252  -0.856 -18.616  -7.543
  352   1HH2  ARG 252          1HH2      ARG 252  -4.033 -17.622  -6.369
  353   2HH2  ARG 252          2HH2      ARG 252  -2.666 -18.682  -6.111
  354    H    ASP 253           H        ASP 253  -4.415 -10.974 -11.072
  355    H    ILE 254           H        ILE 254  -1.968  -9.082 -11.059
  356    H    ALA 256           H        ALA 256   2.326  -6.374 -15.064
  357    H    THR 257           H        THR 257   6.261  -6.233 -13.021
  358    HG1  THR 257           HG1      THR 257   3.778  -6.871 -11.253
  359    H    LEU 258           H        LEU 258   5.885  -2.862 -10.568
  360    H    THR 259           H        THR 259   9.841  -1.840  -9.272
  361    HG1  THR 259           HG1      THR 259  11.058  -2.649  -7.998
  362    H    THR 260           H        THR 260   8.439   1.484  -6.537
  363    HG1  THR 260           HG1      THR 260   7.731   2.862  -4.774
  364    H    ARG 261           H        ARG 261  11.087   2.549  -6.749
  365    HE   ARG 261           HE       ARG 261  16.171   4.397  -5.172
  366   1HH1  ARG 261          1HH1      ARG 261  15.296   1.091  -4.193
  367   2HH1  ARG 261          2HH1      ARG 261  15.254   1.489  -2.490
  368   1HH2  ARG 261          1HH2      ARG 261  16.121   4.882  -2.966
  369   2HH2  ARG 261          2HH2      ARG 261  15.721   3.647  -1.793
  370    H    GLU 262           H        GLU 262  11.782   1.285  -9.230
  371    H    LEU 263           H        LEU 263  10.367   2.157 -10.959
  372    H    ALA 264           H        ALA 264  10.855   4.742 -10.868
  373    H    TYR 265           H        TYR 265  13.389   4.625 -11.827
  374    HH   TYR 265           HH       TYR 265  21.441   3.429 -14.326
  375    H    MET 266           H        MET 266  12.842   4.136 -14.402
  376    H    ILE 267           H        ILE 267  11.668   6.274 -15.167
  377    H    LYS 268           H        LYS 268  13.644   8.012 -14.824
  378   1HZ   LYS 268          1HZ       LYS 268  20.367   7.082 -12.453
  379   2HZ   LYS 268          2HZ       LYS 268  21.312   8.385 -12.092
  380   3HZ   LYS 268          3HZ       LYS 268  19.894   8.146 -11.285
  381    H    LYS 269           H        LYS 269  15.157   7.253 -17.092
  382   1HZ   LYS 269          1HZ       LYS 269  18.853   3.467 -17.541
  383   2HZ   LYS 269          2HZ       LYS 269  20.091   3.763 -18.589
  384   3HZ   LYS 269          3HZ       LYS 269  20.411   3.457 -17.000
  385    H    ALA 270           H        ALA 270  13.851   8.785 -18.712
  386    H    GLY 271           H        GLY 271  14.958  10.730 -18.862
  387    H    ILE 272           H        ILE 272  13.090  11.875 -17.671
  388    H    ASP 273           H        ASP 273  13.722  15.189 -15.815
  389    H    PHE 274           H        PHE 274  12.133  14.315 -11.900
  390    H    ALA 275           H        ALA 275  11.551  16.963 -10.712
  391    H    LYS 276           H        LYS 276  10.566  18.413 -13.066
  392   1HZ   LYS 276          1HZ       LYS 276  14.984  22.429 -13.246
  393   2HZ   LYS 276          2HZ       LYS 276  16.389  21.919 -13.942
  394   3HZ   LYS 276          3HZ       LYS 276  15.274  22.740 -14.839
  395    H    LEU 277           H        LEU 277   8.461  18.789 -13.050
  396    H    ASP 279           H        ASP 279   3.471  19.736 -12.363
  397    H    GLY 280           H        GLY 280   0.976  16.970 -13.619
  398    H    LYS 281           H        LYS 281  -0.085  15.830 -15.464
  399   1HZ   LYS 281          1HZ       LYS 281  -6.021  14.787 -20.402
  400   2HZ   LYS 281          2HZ       LYS 281  -4.653  15.463 -21.028
  401   3HZ   LYS 281          3HZ       LYS 281  -4.756  13.827 -20.848
  402    H    ARG 282           H        ARG 282  -4.060  14.649 -14.815
  403    HE   ARG 282           HE       ARG 282  -2.805  11.979 -10.291
  404   1HH1  ARG 282          1HH1      ARG 282  -5.823  13.748  -9.667
  405   2HH1  ARG 282          2HH1      ARG 282  -5.158  14.650  -8.323
  406   1HH2  ARG 282          1HH2      ARG 282  -1.962  13.176  -8.524
  407   2HH2  ARG 282          2HH2      ARG 282  -2.974  14.325  -7.676
  408    H    ASP 283           H        ASP 283  -4.357  10.698 -15.972
  409    H    SER 284           H        SER 284  -7.537  12.102 -14.918
  410    HG   SER 284           HG       SER 284  -7.861  13.106 -12.577
  411    H    LEU 285           H        LEU 285  -9.070   9.530 -16.563
  412    H    MET 286           H        MET 286  -9.961   7.261 -16.188
  413    H    GLY 287           H        GLY 287 -11.717   6.871 -12.816
  414    H    GLU 288           H        GLU 288 -11.989   8.064 -11.239
  415    H    SER 289           H        SER 289  -9.907  11.878 -10.133
  416    HG   SER 289           HG       SER 289  -7.808  11.691 -10.259
  417    H    THR 290           H        THR 290  -9.014  10.910  -5.784
  418    HG1  THR 290           HG1      THR 290 -11.406  10.486  -6.082
  419    H    GLY 291           H        GLY 291 -10.522  13.691  -2.873
  420    H    GLY 292           H        GLY 292 -10.433  12.423  -0.341
  421    H    ALA 293           H        ALA 293  -8.145  10.171  -1.407
  422    H    THR 294           H        THR 294  -6.492   9.944  -1.615
  423    HG1  THR 294           HG1      THR 294  -6.899  10.942  -4.380
  424    H    ILE 295           H        ILE 295  -4.189   7.965  -1.153
  425    H    PHE 296           H        PHE 296  -3.183   6.312  -0.397
  426    H    GLY 297           H        GLY 297  -1.634   5.184   0.007
  427    H    VAL 298           H        VAL 298  -0.639   5.366   3.411
  428    H    THR 299           H        THR 299   1.945   6.600   6.571
  429    HG1  THR 299           HG1      THR 299   2.228   4.848   7.402
  430    H    GLY 300           H        GLY 300  -1.789   6.524   8.973
  431    H    GLY 301           H        GLY 301  -2.750   9.676   6.911
  432    H    VAL 302           H        VAL 302  -3.569   5.817   5.513
  433    H    MET 303           H        MET 303  -5.285   6.087   7.915
  434    H    GLU 304           H        GLU 304  -6.245   8.209   7.414
  435    H    ALA 305           H        ALA 305  -7.508   8.427   5.440
  436    H    ALA 306           H        ALA 306  -9.378   6.637   6.157
  437    H    LEU 307           H        LEU 307 -10.608   8.225   8.106
  438    H    ARG 308           H        ARG 308 -11.657  10.113   6.494
  439    HE   ARG 308           HE       ARG 308  -8.780  13.289   4.837
  440   1HH1  ARG 308          1HH1      ARG 308 -10.007  14.037   1.582
  441   2HH1  ARG 308          2HH1      ARG 308  -8.899  15.371   1.348
  442   1HH2  ARG 308          1HH2      ARG 308  -7.354  15.034   4.503
  443   2HH2  ARG 308          2HH2      ARG 308  -7.394  15.934   3.003
  444    H    PHE 309           H        PHE 309 -13.663   8.657   5.448
  445    H    ALA 310           H        ALA 310 -15.097   7.467   7.455
  446    H    TYR 311           H        TYR 311 -15.783   9.675   8.861
  447    HH   TYR 311           HH       TYR 311 -14.045  15.116  15.238
  448    H    GLU 312           H        GLU 312 -17.503  10.624   7.753
  449    H    ALA 313           H        ALA 313 -20.212  10.660   8.923
  450    H    VAL 314           H        VAL 314 -20.206   8.867  10.183
  451    H    THR 315           H        THR 315 -19.441  10.110  12.312
  452    HG1  THR 315           HG1      THR 315 -17.367   9.357  13.303
  453    H    GLY 316           H        GLY 316 -21.843  12.615  13.076
  454    H    LYS 317           H        LYS 317 -19.448  15.428  13.460
  455   1HZ   LYS 317          1HZ       LYS 317 -20.181  22.343  14.071
  456   2HZ   LYS 317          2HZ       LYS 317 -19.252  22.722  12.762
  457   3HZ   LYS 317          3HZ       LYS 317 -20.538  21.702  12.594
  458    H    LYS 318           H        LYS 318 -20.729  16.094  10.605
  459   1HZ   LYS 318          1HZ       LYS 318 -25.542  12.906   9.358
  460   2HZ   LYS 318          2HZ       LYS 318 -25.994  14.292   8.587
  461   3HZ   LYS 318          3HZ       LYS 318 -25.152  13.131   7.771
  462    H    ASP 320           H        ASP 320 -17.432  17.880   8.869
  463    H    SER 321           H        SER 321 -16.281  18.199  10.369
  464    HG   SER 321           HG       SER 321 -13.737  16.945  13.646
  465    H    TRP 322           H        TRP 322 -12.258  19.460   9.998
  466    HE1  TRP 322           HE1      TRP 322 -14.803  19.558   5.407
  467    H    ASP 323           H        ASP 323 -11.553  17.754  11.554
  468    H    PHE 324           H        PHE 324  -8.559  16.329  10.854
  469    H    LYS 325           H        LYS 325  -7.142  15.951  13.602
  470   1HZ   LYS 325          1HZ       LYS 325  -6.007  19.278   9.594
  471   2HZ   LYS 325          2HZ       LYS 325  -6.652  20.790   9.730
  472   3HZ   LYS 325          3HZ       LYS 325  -5.083  20.522  10.159
  473    H    ALA 326           H        ALA 326  -5.794  14.071  14.663
  474    H    VAL 327           H        VAL 327  -4.500  12.670  12.836
  475    H    ARG 328           H        ARG 328  -2.267  13.632  12.556
  476    HE   ARG 328           HE       ARG 328  -6.466  15.454   9.406
  477   1HH1  ARG 328          1HH1      ARG 328  -4.714  17.715   7.292
  478   2HH1  ARG 328          2HH1      ARG 328  -5.969  17.723   6.072
  479   1HH2  ARG 328          1HH2      ARG 328  -8.083  15.488   7.795
  480   2HH2  ARG 328          2HH2      ARG 328  -7.875  16.463   6.357
  481    H    GLY 329           H        GLY 329   0.418  12.731  11.190
  482    H    LEU 330           H        LEU 330   3.993  12.489  13.129
  483    H    ASP 331           H        ASP 331   3.601   8.675  14.396
  484    H    GLY 332           H        GLY 332   5.840   7.429  17.317
  485    H    ILE 333           H        ILE 333   3.536   6.121  18.175
  486    H    LYS 334           H        LYS 334   0.156   5.871  16.341
  487   1HZ   LYS 334          1HZ       LYS 334   0.843   9.719  11.308
  488   2HZ   LYS 334          2HZ       LYS 334   0.061   8.338  10.858
  489   3HZ   LYS 334          3HZ       LYS 334  -0.793   9.603  11.483
  490    H    GLU 335           H        GLU 335  -2.710   8.642  18.302
  491    H    ALA 336           H        ALA 336  -6.457   6.800  18.039
  492    H    THR 337           H        THR 337  -8.833   9.767  19.700
  493    HG1  THR 337           HG1      THR 337  -7.706   7.131  21.148
  494    H    VAL 338           H        VAL 338 -11.634   8.099  19.256
  495    H    ASN 339           H        ASN 339 -15.366   9.774  21.079
  496   2HD2  ASN 339          2HD2      ASN 339 -17.028   5.511  23.887
  497   1HD2  ASN 339          1HD2      ASN 339 -18.528   6.087  24.561
  498    H    VAL 340           H        VAL 340 -18.020   6.559  20.709
  499    H    GLY 341           H        GLY 341 -19.682   8.327  22.524
  500    H    GLY 342           H        GLY 342 -21.312   5.147  22.101
  501    H    THR 343           H        THR 343 -20.227   3.373  20.860
  502    HG1  THR 343           HG1      THR 343 -20.976   2.761  18.656
  503    H    ASP 344           H        ASP 344 -15.972   2.375  19.573
  504    H    VAL 345           H        VAL 345 -14.067   6.276  18.856
  505    H    LYS 346           H        LYS 346 -12.014   3.827  17.036
  506   1HZ   LYS 346          1HZ       LYS 346  -9.461   3.749  24.328
  507   2HZ   LYS 346          2HZ       LYS 346 -11.047   4.202  24.354
  508   3HZ   LYS 346          3HZ       LYS 346 -10.628   2.694  23.833
  509    H    ALA 348           H        ALA 348  -5.393   1.854  16.881
  510    H    VAL 349           H        VAL 349  -2.396   4.656  16.138
  511    H    VAL 350           H        VAL 350  -0.681   1.952  13.799
  512    H    HIS 351           H        HIS 351   3.510   2.963  14.383
  513    HD1  HIS 351           HD1      HIS 351   6.194   3.676  13.397
  514    H    GLY 352           H        GLY 352   4.869  -0.105  11.761
  515    H    ALA 353           H        ALA 353   8.610  -2.118  12.591
  516    H    LYS 354           H        LYS 354   9.094  -3.144  14.441
  517   1HZ   LYS 354          1HZ       LYS 354  11.061  -0.028  20.417
  518   2HZ   LYS 354          2HZ       LYS 354  11.733   0.213  18.930
  519   3HZ   LYS 354          3HZ       LYS 354  10.389   1.059  19.374
  520    H    ARG 355           H        ARG 355   6.992  -2.367  15.632
  521    HE   ARG 355           HE       ARG 355   7.955   2.423  16.637
  522   1HH1  ARG 355          1HH1      ARG 355   5.489   2.325  19.199
  523   2HH1  ARG 355          2HH1      ARG 355   6.422   3.329  20.287
  524   1HH2  ARG 355          1HH2      ARG 355   9.141   3.723  18.069
  525   2HH2  ARG 355          2HH2      ARG 355   8.495   4.123  19.645
  526    H    PHE 356           H        PHE 356   5.168  -4.119  15.201
  527    H    LYS 357           H        LYS 357   5.193  -6.364  16.654
  528   1HZ   LYS 357          1HZ       LYS 357   5.847 -10.309  14.867
  529   2HZ   LYS 357          2HZ       LYS 357   7.466 -10.173  14.584
  530   3HZ   LYS 357          3HZ       LYS 357   6.698 -11.607  14.307
  531    H    GLN 358           H        GLN 358   5.118  -5.105  18.884
  532   2HE2  GLN 358          2HE2      GLN 358   5.071   0.046  22.867
  533   1HE2  GLN 358          1HE2      GLN 358   6.195   0.930  21.847
  534    H    VAL 359           H        VAL 359   2.402  -4.018  18.948
  535    H    CYS 360           H        CYS 360   1.149  -6.186  18.906
  536    H    ASP 361           H        ASP 361   1.728  -7.029  21.536
  537    H    ASP 362           H        ASP 362  -0.060  -5.595  22.851
  538    H    VAL 363           H        VAL 363  -2.291  -6.330  22.051
  539    H    LYS 364           H        LYS 364  -2.216  -8.974  22.971
  540   1HZ   LYS 364          1HZ       LYS 364   2.679 -12.653  23.717
  541   2HZ   LYS 364          2HZ       LYS 364   2.394 -14.184  24.262
  542   3HZ   LYS 364          3HZ       LYS 364   2.286 -13.848  22.650
  543    H    ALA 365           H        ALA 365  -2.845  -8.261  25.518
  544    H    GLY 366           H        GLY 366  -5.245  -8.445  25.580
  545    H    LYS 367           H        LYS 367  -5.295  -6.049  25.859
  546   1HZ   LYS 367          1HZ       LYS 367  -1.173  -0.008  26.376
  547   2HZ   LYS 367          2HZ       LYS 367  -1.791   1.430  26.893
  548   3HZ   LYS 367          3HZ       LYS 367  -1.674   0.160  27.938
  549    H    SER 368           H        SER 368  -8.269  -4.564  24.564
  550    HG   SER 368           HG       SER 368  -6.298  -5.282  22.546
  551    H    TYR 370           H        TYR 370 -10.152  -1.911  20.649
  552    HH   TYR 370           HH       TYR 370  -3.716  -1.019  22.357
  553    H    HIS 371           H        HIS 371 -11.264   0.636  17.188
  554    HD1  HIS 371           HD1      HIS 371 -13.334  -1.298  18.935
  555    H    PHE 372           H        PHE 372 -10.281   0.139  15.575
  556    H    ILE 373           H        ILE 373  -7.289  -2.000  13.627
  557    H    GLU 374           H        GLU 374  -4.333   1.051  13.727
  558    H    TYR 375           H        TYR 375  -2.735  -1.784  11.541
  559    HH   TYR 375           HH       TYR 375  -1.447  -6.691  17.267
  560    H    MET 376           H        MET 376   1.083   0.039  11.557
  561    H    ALA 377           H        ALA 377   2.656  -1.765   8.071
  562    H    CYS 378           H        CYS 378   4.582   0.186   7.504
  563    H    GLY 380           H        GLY 380   4.918   4.885   8.395
  564    H    GLY 381           H        GLY 381   5.356   4.227   6.240
  565    H    CYS 382           H        CYS 382   3.026   3.092   2.601
  566    H    VAL 383           H        VAL 383   4.006   5.500   1.570
  567    H    CYS 384           H        CYS 384   6.521   5.546   2.918
  568    H    GLY 385           H        GLY 385   7.466   3.857   3.397
  569    H    GLY 386           H        GLY 386   8.763   3.189   1.036
  570    H    GLY 387           H        GLY 387   9.513   0.402  -2.247
  571    H    GLN 388           H        GLN 388  11.667   3.610  -1.872
  572   2HE2  GLN 388          2HE2      GLN 388   8.123   6.699  -3.608
  573   1HE2  GLN 388          1HE2      GLN 388   6.922   5.762  -4.441
  574    H    VAL 390           H        VAL 390  14.034   7.701  -2.266
  575    H    MET 391           H        MET 391  13.066  11.868  -0.462
  576    H    GLY 393           H        GLY 393  18.256  12.244  -1.116
  577    H    VAL 394           H        VAL 394  17.066  10.203  -2.382
  578    H    LEU 395           H        LEU 395  19.595   8.156  -3.682
  579    H    GLU 396           H        GLU 396  21.203   8.178  -5.281
  580    H    ALA 397           H        ALA 397  23.992   9.612  -2.790
  581    H1   VAL  36           H1       VAL  36  19.594  20.932   5.502
  582    H2   VAL  36           H2       VAL  36  20.356  19.542   5.413
  583    H3   VAL  36           H3       VAL  36  21.053  20.819   4.660
  584    H    LYS  37           H        LYS  37  17.688  17.918   4.034
  585   1HZ   LYS  37          1HZ       LYS  37  10.917  21.147   5.307
  586   2HZ   LYS  37          2HZ       LYS  37  10.896  20.827   6.924
  587   3HZ   LYS  37          3HZ       LYS  37  11.003  22.384   6.393
  588    H    GLN  38           H        GLN  38  16.339  16.103   7.290
  589   2HE2  GLN  38          2HE2      GLN  38  20.671  16.444   5.465
  590   1HE2  GLN  38          1HE2      GLN  38  21.095  15.307   4.169
  591    H    ILE  39           H        ILE  39  16.935  12.097   6.113
  592    H    LYS  40           H        LYS  40  14.326  11.606   8.981
  593   1HZ   LYS  40          1HZ       LYS  40  11.877  14.963  15.018
  594   2HZ   LYS  40          2HZ       LYS  40  10.485  14.403  15.701
  595   3HZ   LYS  40          3HZ       LYS  40  11.798  13.412  15.574
  596    H    ASP  41           H        ASP  41  13.396  14.355   8.318
  597    H    TYR  42           H        TYR  42  12.694  14.406   6.007
  598    HH   TYR  42           HH       TYR  42  15.041  19.655   1.424
  599    H    MET  43           H        MET  43  11.052  12.824   5.831
  600    H    LEU  44           H        LEU  44   8.951  13.752   7.313
  601    H    ASP  45           H        ASP  45   8.502  16.073   5.673
  602    H    ARG  46           H        ARG  46   7.560  14.764   3.440
  603    HE   ARG  46           HE       ARG  46   7.507   9.936   2.439
  604   1HH1  ARG  46          1HH1      ARG  46   9.523  11.393  -0.100
  605   2HH1  ARG  46          2HH1      ARG  46  11.029  10.968   0.681
  606   1HH2  ARG  46          1HH2      ARG  46   9.498   9.391   3.443
  607   2HH2  ARG  46          2HH2      ARG  46  11.015   9.834   2.691
  608    H    ILE  47           H        ILE  47   5.284  13.574   4.269
  609    H    ASN  48           H        ASN  48   3.902  15.795   4.983
  610   2HD2  ASN  48          2HD2      ASN  48   0.995  19.457   4.371
  611   1HD2  ASN  48          1HD2      ASN  48   1.131  20.919   5.351
  612    H    GLY  49           H        GLY  49   3.660  16.921   2.568
  613    H    VAL  50           H        VAL  50   2.079  15.104   1.228
  614    H    TYR  51           H        TYR  51  -0.237  15.396   2.760
  615    HH   TYR  51           HH       TYR  51  -1.986  11.459   8.332
  616    H    GLY  52           H        GLY  52  -0.845  17.832   1.979
  617    H    ALA  53           H        ALA  53  -1.335  17.702  -0.520
  618    H    ASP  54           H        ASP  54  -3.670  16.313  -0.435
  619    H    ALA  55           H        ALA  55  -5.491  18.532  -0.286
  620    H    LYS  56           H        LYS  56  -6.125  18.850  -2.680
  621   1HZ   LYS  56          1HZ       LYS  56  -0.438  20.603  -3.906
  622   2HZ   LYS  56          2HZ       LYS  56  -0.600  21.978  -4.802
  623   3HZ   LYS  56          3HZ       LYS  56  -0.077  22.068  -3.240
  624    H    PHE  57           H        PHE  57  -8.023  17.920  -3.492
  625    H    VAL  59           H        VAL  59 -12.404  15.992  -5.734
  626    H    ARG  60           H        ARG  60 -14.251  16.103  -2.463
  627    HE   ARG  60           HE       ARG  60 -10.260  16.756   0.770
  628   1HH1  ARG  60          1HH1      ARG  60 -11.018  20.231   0.707
  629   2HH1  ARG  60          2HH1      ARG  60 -10.296  20.529   2.273
  630   1HH2  ARG  60          1HH2      ARG  60  -9.319  17.180   2.795
  631   2HH2  ARG  60          2HH2      ARG  60  -9.334  18.801   3.454
  632    H    ALA  61           H        ALA  61 -14.799  13.971  -0.798
  633    H    SER  62           H        SER  62 -13.831   9.963   0.889
  634    HG   SER  62           HG       SER  62 -11.945   8.524   0.698
  635    H    GLN  63           H        GLN  63 -16.717   9.374   0.534
  636   2HE2  GLN  63          2HE2      GLN  63 -19.071  10.254   4.223
  637   1HE2  GLN  63          1HE2      GLN  63 -17.349  10.534   4.318
  638    H    ASP  64           H        ASP  64 -17.292  10.486  -1.722
  639    H    ASN  65           H        ASN  65 -17.215   9.160  -3.642
  640   2HD2  ASN  65          2HD2      ASN  65 -13.040   9.199  -6.165
  641   1HD2  ASN  65          1HD2      ASN  65 -12.912   8.521  -7.756
  642    H    THR  66           H        THR  66 -17.786  10.145  -7.822
  643    HG1  THR  66           HG1      THR  66 -19.153  11.379  -7.681
  644    H    GLN  67           H        GLN  67 -16.853   7.833  -9.003
  645   2HE2  GLN  67          2HE2      GLN  67 -15.507   8.356 -14.313
  646   1HE2  GLN  67          1HE2      GLN  67 -13.843   8.078 -14.692
  647    H    VAL  68           H        VAL  68 -16.965   5.924  -7.798
  648    H    LYS  69           H        LYS  69 -19.368   5.387  -7.214
  649   1HZ   LYS  69          1HZ       LYS  69 -23.093   9.795  -5.560
  650   2HZ   LYS  69          2HZ       LYS  69 -22.009   9.786  -4.316
  651   3HZ   LYS  69          3HZ       LYS  69 -21.630  10.537  -5.735
  652    H    ALA  70           H        ALA  70 -20.312   5.106  -9.739
  653    H    LEU  71           H        LEU  71 -18.832   2.777 -10.457
  654    H    TYR  72           H        TYR  72 -20.043   1.039  -8.727
  655    HH   TYR  72           HH       TYR  72 -18.107  -0.041  -1.872
  656    H    LYS  73           H        LYS  73 -22.511   0.844  -9.749
  657   1HZ   LYS  73          1HZ       LYS  73 -28.750   4.143 -11.853
  658   2HZ   LYS  73          2HZ       LYS  73 -27.959   4.200 -13.299
  659   3HZ   LYS  73          3HZ       LYS  73 -29.492   3.597 -13.221
  660    H    SER  74           H        SER  74 -22.669   0.585 -12.492
  661    HG   SER  74           HG       SER  74 -23.480   2.508 -14.585
  662    H    TYR  75           H        TYR  75 -22.295  -2.608 -12.761
  663    HH   TYR  75           HH       TYR  75 -13.899  -5.892 -12.609
  664    H    LEU  76           H        LEU  76 -20.830  -3.285 -11.061
  665    H    GLU  77           H        GLU  77 -23.167  -3.924  -9.209
  666    H    LYS  78           H        LYS  78 -24.456  -6.550  -8.888
  667   1HZ   LYS  78          1HZ       LYS  78 -26.559 -12.668  -6.672
  668   2HZ   LYS  78          2HZ       LYS  78 -27.656 -12.360  -7.865
  669   3HZ   LYS  78          3HZ       LYS  78 -26.313 -13.260  -8.192
  670    H    LEU  80           H        LEU  80 -20.834  -6.494  -3.679
  671    H    GLY  81           H        GLY  81 -23.534  -7.611  -2.894
  672    H    HIS  82           H        HIS  82 -22.849 -12.021  -2.170
  673    HD1  HIS  82           HD1      HIS  82 -18.493 -11.588  -0.348
  674    H    LYS  83           H        LYS  83 -22.263 -12.576  -4.930
  675   1HZ   LYS  83          1HZ       LYS  83 -25.313 -15.122 -11.097
  676   2HZ   LYS  83          2HZ       LYS  83 -25.101 -13.565 -11.596
  677   3HZ   LYS  83          3HZ       LYS  83 -24.558 -14.811 -12.530
  678    H    SER  84           H        SER  84 -21.604 -10.803  -7.275
  679    HG   SER  84           HG       SER  84 -22.757  -8.747  -7.158
  680    H    HIS  85           H        HIS  85 -20.014  -9.699  -5.650
  681    HD1  HIS  85           HD1      HIS  85 -19.760  -8.977  -0.982
  682    H    ASP  86           H        ASP  86 -16.205  -9.420  -6.505
  683    H    LEU  87           H        LEU  87 -15.723  -9.547  -8.213
  684    H    LEU  88           H        LEU  88 -13.608  -7.769  -6.046
  685    H    HIS  89           H        HIS  89 -14.449  -8.484  -3.956
  686    HD1  HIS  89           HD1      HIS  89 -15.425  -7.476   0.074
  687    H    THR  90           H        THR  90 -10.879 -10.051  -2.933
  688    HG1  THR  90           HG1      THR  90 -11.941 -11.067  -5.359
  689    H    HIS  91           H        HIS  91 -10.033 -13.848  -1.964
  690    HD1  HIS  91           HD1      HIS  91  -5.396 -12.125   0.794
  691    H    TRP  92           H        TRP  92 -10.122 -16.357   0.792
  692    HE1  TRP  92           HE1      TRP  92  -9.277 -12.739   7.312
  693    H    PHE  93           H        PHE  93  -7.106 -16.198   3.405
  694    H    ASP  94           H        ASP  94  -5.062 -19.861   3.403
  695    H    LYS  95           H        LYS  95  -1.736 -19.154   5.730
  696   1HZ   LYS  95          1HZ       LYS  95   0.137 -17.291  -1.631
  697   2HZ   LYS  95          2HZ       LYS  95  -1.347 -16.842  -2.193
  698   3HZ   LYS  95          3HZ       LYS  95  -0.646 -16.006  -0.956
  699    H    SER  96           H        SER  96  -0.785 -21.441   6.383
  700    HG   SER  96           HG       SER  96  -1.210 -20.250   8.137
  701    H    LYS  97           H        LYS  97   2.611 -20.735   5.644
  702   1HZ   LYS  97          1HZ       LYS  97   7.437 -20.303   0.339
  703   2HZ   LYS  97          2HZ       LYS  97   8.094 -21.660  -0.330
  704   3HZ   LYS  97          3HZ       LYS  97   6.470 -21.389  -0.440
  705    H    GLY  98           H        GLY  98   4.619 -20.090   6.947
  706    H    LYS 100           H        LYS 100   4.311 -23.683   8.696
  707   1HZ   LYS 100          1HZ       LYS 100  -0.447 -26.401   6.441
  708   2HZ   LYS 100          2HZ       LYS 100  -0.469 -27.849   7.231
  709   3HZ   LYS 100          3HZ       LYS 100  -1.572 -26.683   7.614
  710    H    GLU 101           H        GLU 101   6.934 -24.012   8.205
  711    H    LEU 102           H        LEU 102   8.918 -23.001   9.384
  712    H    THR 103           H        THR 103   8.516 -22.734  11.761
  713    HG1  THR 103           HG1      THR 103   8.682 -20.674  12.791
  714    H    THR 104           H        THR 104   8.410 -25.283  12.780
  715    HG1  THR 104           HG1      THR 104   7.877 -26.743  11.020
  716    H    ALA 105           H        ALA 105  10.951 -25.550  13.564
  717    H    GLY 106           H        GLY 106  10.927 -24.742  15.716
  718    H    LYS 107           H        LYS 107  12.101 -22.896  14.251
  719   1HZ   LYS 107          1HZ       LYS 107  15.158 -23.523   9.053
  720   2HZ   LYS 107          2HZ       LYS 107  15.932 -24.710   9.896
  721   3HZ   LYS 107          3HZ       LYS 107  14.431 -24.987   9.271
  722    H    LEU 108           H        LEU 108  12.869 -18.497  14.482
  723    H    ASN 110           H        ASN 110  12.591 -13.969  15.955
  724   2HD2  ASN 110          2HD2      ASN 110  16.350 -12.621  13.526
  725   1HD2  ASN 110          1HD2      ASN 110  18.001 -12.716  14.102
  726    H    ARG 112           H        ARG 112  17.287 -13.234  18.012
  727    HE   ARG 112           HE       ARG 112  22.563 -11.258  17.832
  728   1HH1  ARG 112          1HH1      ARG 112  21.976 -13.378  15.041
  729   2HH1  ARG 112          2HH1      ARG 112  22.863 -12.356  13.931
  730   1HH2  ARG 112          1HH2      ARG 112  23.712  -9.942  16.365
  731   2HH2  ARG 112          2HH2      ARG 112  23.850 -10.405  14.685
  732    H    ALA 113           H        ALA 113  15.674 -11.264  18.818
  733    H    SER 114           H        SER 114  15.917  -8.634  19.853
  734    HG   SER 114           HG       SER 114  16.722  -8.872  22.051
  735    H    GLU 115           H        GLU 115  17.649  -7.651  17.644
  736    H    PHE 116           H        PHE 116  16.661  -6.881  15.989
  737    H    GLU 117           H        GLU 117  15.878  -5.034  15.660
  738    H    GLY 118           H        GLY 118  13.280  -2.226  16.763
  739    HH   TYR 120           HH       TYR 120  11.113  -2.346  13.275
  740    H    TYR 122           H        TYR 122  12.688   6.784  14.687
  741    HH   TYR 122           HH       TYR 122   8.185   7.733  18.525
  742    H    GLU 123           H        GLU 123  13.685   8.704  14.234
  743    H1   ASP   2           H1       ASP   2  28.982  11.595  -2.584
  744    H2   ASP   2           H2       ASP   2  27.463  12.183  -2.819
  745    H3   ASP   2           H3       ASP   2  28.758  13.009  -3.461
  746    H    GLY   3           H        GLY   3  26.607  11.336  -1.286
  747    H    ALA   4           H        ALA   4  24.809  10.662  -0.489
  748    H    ALA   5           H        ALA   5  23.038   9.113  -0.361
  749    H    LEU   6           H        LEU   6  24.278   7.946   2.156
  750    H    TYR   7           H        TYR   7  25.636   8.706   3.386
  751    HH   TYR   7           HH       TYR   7  23.300  10.998  11.029
  752    H    LYS   8           H        LYS   8  23.010   8.510   4.411
  753   1HZ   LYS   8          1HZ       LYS   8  17.496  11.106   3.675
  754   2HZ   LYS   8          2HZ       LYS   8  18.460  12.215   2.925
  755   3HZ   LYS   8          3HZ       LYS   8  17.847  10.944   2.072
  756    H    SER   9           H        SER   9  23.249   5.954   4.816
  757    HG   SER   9           HG       SER   9  21.235   3.168   2.760
  758    H    CYS  10           H        CYS  10  23.796   5.433   7.241
  759    H    ILE  11           H        ILE  11  21.518   5.242   8.417
  760    H    GLY  12           H        GLY  12  20.186   3.739  10.240
  761    H    CYS  13           H        CYS  13  21.622   3.970  12.411
  762    H    HIS  14           H        HIS  14  21.054   5.870  13.520
  763    HD1  HIS  14           HD1      HIS  14  24.371   8.977  11.720
  764    H    GLY  15           H        GLY  15  19.473   6.983  13.748
  765    H    ALA  16           H        ALA  16  16.084   9.353  13.224
  766    H    ASP  17           H        ASP  17  17.432  11.629  12.413
  767    H    GLY  18           H        GLY  18  19.392  10.965  12.260
  768    H    SER  19           H        SER  19  18.802  12.015  14.237
  769    HG   SER  19           HG       SER  19  16.469  11.985  14.227
  770    H    LYS  20           H        LYS  20  19.506  10.900  16.377
  771   1HZ   LYS  20          1HZ       LYS  20  18.736   4.138  18.066
  772   2HZ   LYS  20          2HZ       LYS  20  18.258   4.825  16.645
  773   3HZ   LYS  20          3HZ       LYS  20  19.843   4.433  16.880
  774    H    ALA  21           H        ALA  21  19.644   9.908  20.659
  775    H    ALA  22           H        ALA  22  23.758   9.515  19.406
  776    H    MET  23           H        MET  23  22.912   5.317  17.898
  777    H    GLY  24           H        GLY  24  24.873   3.947  20.168
  778    H    SER  25           H        SER  25  23.551   4.836  22.751
  779    HG   SER  25           HG       SER  25  23.560   3.967  24.840
  780    H    ALA  26           H        ALA  26  25.057   7.104  21.989
  781    H    LYS  27           H        LYS  27  27.080  10.684  20.966
  782   1HZ   LYS  27          1HZ       LYS  27  30.692  13.023  23.089
  783   2HZ   LYS  27          2HZ       LYS  27  29.684  12.150  22.116
  784   3HZ   LYS  27          3HZ       LYS  27  31.065  12.807  21.496
  785    H    VAL  29           H        VAL  29  23.304  12.682  16.346
  786    H    LYS  30           H        LYS  30  22.906  14.299  14.879
  787   1HZ   LYS  30          1HZ       LYS  30  21.236  19.076  10.821
  788   2HZ   LYS  30          2HZ       LYS  30  20.399  18.116   9.773
  789   3HZ   LYS  30          3HZ       LYS  30  19.963  19.694   9.974
  790    H    GLY  31           H        GLY  31  24.670  18.211  15.070
  791    H    GLN  32           H        GLN  32  25.899  17.194  16.195
  792   2HE2  GLN  32          2HE2      GLN  32  27.085  14.010  18.354
  793   1HE2  GLN  32          1HE2      GLN  32  28.428  12.903  18.561
  794    H    GLY  33           H        GLY  33  29.875  18.650  15.138
  795    H    ALA  34           H        ALA  34  30.056  19.389  11.000
  796    H    GLU  35           H        GLU  35  33.406  19.753  11.817
  797    H    GLU  36           H        GLU  36  33.380  18.483  14.217
  798    H    LEU  37           H        LEU  37  32.300  16.407  14.085
  799    H    TYR  38           H        TYR  38  33.845  15.166  12.164
  800    HH   TYR  38           HH       TYR  38  40.944  12.919   7.914
  801    H    LYS  39           H        LYS  39  36.174  14.910  13.680
  802   1HZ   LYS  39          1HZ       LYS  39  38.138  18.607  18.173
  803   2HZ   LYS  39          2HZ       LYS  39  39.768  18.482  18.391
  804   3HZ   LYS  39          3HZ       LYS  39  39.168  19.439  17.189
  805    H    LYS  40           H        LYS  40  35.433  13.145  15.783
  806   1HZ   LYS  40          1HZ       LYS  40  32.523  13.967  21.708
  807   2HZ   LYS  40          2HZ       LYS  40  33.269  15.431  21.854
  808   3HZ   LYS  40          3HZ       LYS  40  32.224  15.158  20.607
  809    H    MET  41           H        MET  41  34.712  11.085  14.397
  810    H    LYS  42           H        LYS  42  36.947  10.351  12.993
  811   1HZ   LYS  42          1HZ       LYS  42  41.742   9.863   8.148
  812   2HZ   LYS  42          2HZ       LYS  42  43.219   9.181   8.420
  813   3HZ   LYS  42          3HZ       LYS  42  41.885   8.594   9.192
  814    H    GLY  43           H        GLY  43  38.568   9.875  14.870
  815    H    TYR  44           H        TYR  44  37.594   7.546  15.796
  816    HH   TYR  44           HH       TYR  44  31.805   2.278  18.665
  817    H    ALA  45           H        ALA  45  38.983   5.566  14.341
  818    H    ASP  46           H        ASP  46  40.963   5.364  15.706
  819    H    GLY  47           H        GLY  47  40.938   3.904  17.256
  820    H    SER  48           H        SER  48  41.087   6.007  18.709
  821    HG   SER  48           HG       SER  48  43.176   6.572  19.449
  822    H    TYR  49           H        TYR  49  39.102   5.870  19.821
  823    HH   TYR  49           HH       TYR  49  31.378  10.345  21.174
  824    H    GLY  50           H        GLY  50  35.301   5.445  21.319
  825    H    GLY  51           H        GLY  51  33.750   1.654  21.091
  826    H    GLU  52           H        GLU  52  29.776   1.595  21.232
  827    H    ARG  53           H        ARG  53  29.880   0.809  19.149
  828    HE   ARG  53           HE       ARG  53  24.930  -1.119  16.691
  829   1HH1  ARG  53          1HH1      ARG  53  27.125  -2.374  19.194
  830   2HH1  ARG  53          2HH1      ARG  53  25.824  -2.807  20.282
  831   1HH2  ARG  53          1HH2      ARG  53  23.254  -1.695  18.136
  832   2HH2  ARG  53          2HH2      ARG  53  23.632  -2.424  19.680
  833    H    LYS  54           H        LYS  54  31.783  -1.843  18.579
  834   1HZ   LYS  54          1HZ       LYS  54  31.831  -4.942  20.204
  835   2HZ   LYS  54          2HZ       LYS  54  31.896  -6.174  21.298
  836   3HZ   LYS  54          3HZ       LYS  54  31.874  -4.609  21.818
  837    H    ALA  55           H        ALA  55  32.549  -2.922  16.205
  838    H    MET  56           H        MET  56  31.561  -2.368  14.743
  839    H    MET  57           H        MET  57  31.628   0.274  14.303
  840    H    THR  58           H        THR  58  34.005   0.787  13.684
  841    HG1  THR  58           HG1      THR  58  35.445  -0.438  15.100
  842    H    ASN  59           H        ASN  59  34.039  -0.644  11.233
  843   2HD2  ASN  59          2HD2      ASN  59  30.508  -0.644   9.261
  844   1HD2  ASN  59          1HD2      ASN  59  30.042  -0.932   7.569
  845    H    ALA  60           H        ALA  60  32.786   1.494   9.518
  846    H    VAL  61           H        VAL  61  34.548   3.261   9.573
  847    H    LYS  62           H        LYS  62  36.676   2.159   8.461
  848   1HZ   LYS  62          1HZ       LYS  62  41.684  -0.950  10.316
  849   2HZ   LYS  62          2HZ       LYS  62  41.067   0.547  10.630
  850   3HZ   LYS  62          3HZ       LYS  62  41.399  -0.485  11.873
  851    H    LYS  63           H        LYS  63  35.885   1.584   5.968
  852   1HZ   LYS  63          1HZ       LYS  63  31.134   0.270   6.216
  853   2HZ   LYS  63          2HZ       LYS  63  31.685   1.788   5.883
  854   3HZ   LYS  63          3HZ       LYS  63  30.074   1.453   5.771
  855    H    TYR  64           H        TYR  64  35.618   3.904   4.920
  856    HH   TYR  64           HH       TYR  64  28.637   3.426   3.350
  857    H    SER  65           H        SER  65  37.831   4.591   2.820
  858    HG   SER  65           HG       SER  65  39.115   3.203   3.324
  859    H    ASP  66           H        ASP  66  39.044   7.635   5.429
  860    H    GLU  67           H        GLU  67  39.506   9.570   2.460
  861    H    GLU  68           H        GLU  68  37.048   9.215   2.107
  862    H    LEU  69           H        LEU  69  35.934   9.136   4.221
  863    H    LYS  70           H        LYS  70  36.382  11.838   4.857
  864   1HZ   LYS  70          1HZ       LYS  70  40.544  15.498   2.226
  865   2HZ   LYS  70          2HZ       LYS  70  39.809  15.662   0.759
  866   3HZ   LYS  70          3HZ       LYS  70  39.952  16.965   1.760
  867    H    ALA  71           H        ALA  71  34.627  12.988   2.989
  868    H    LEU  72           H        LEU  72  32.244  11.985   3.980
  869    H    ALA  73           H        ALA  73  32.261  13.191   6.360
  870    H    ASP  74           H        ASP  74  32.036  15.746   5.620
  871    H    TYR  75           H        TYR  75  29.629  15.694   4.521
  872    HH   TYR  75           HH       TYR  75  21.394  13.396   3.736
  873    H    MET  76           H        MET  76  28.354  15.545   6.900
  874    H    SER  77           H        SER  77  27.644  18.303   7.121
  875    HG   SER  77           HG       SER  77  28.025  19.039  10.127
  876    H    LYS  78           H        LYS  78  25.605  18.790   6.540
  877   1HZ   LYS  78          1HZ       LYS  78  28.948  18.509   2.829
  878   2HZ   LYS  78          2HZ       LYS  78  28.526  17.221   1.889
  879   3HZ   LYS  78          3HZ       LYS  78  29.714  18.251   1.391
  880    H    LEU  79           H        LEU  79  22.237  20.045   7.162

  No H/Q in entry =         880