*HEADER    TOXIN                                   24-FEB-14   2MLD              
*TITLE     SOLUTION STRUCTURE OF BMKTX-D19K/K6D                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: POTASSIUM CHANNEL TOXIN ALPHA-KTX 3.6;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 23-59;                                        
*COMPND   5 SYNONYM: BMKTX, KALIOTOXIN;                                          
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MESOBUTHUS MARTENSII;                           
*SOURCE   3 ORGANISM_COMMON: MANCHURIAN SCORPION;                                
*SOURCE   4 ORGANISM_TAXID: 34649;                                               
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PGEX-6P-1                                  
*KEYWDS    TOXIN                                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    J.HONG, D.LIN, Z.CHEN, Y.WU                                           
*REVDAT   1   25-FEB-15 2MLD    0                                                


      Assignment         w1         w2        Volume   Data Height 

          V1HA-HB      3.626      1.980   1.10e+08 ga      5827641 
        V1HA-HG11      3.624      1.043   7.97e+07 ga      7897499 
        V1HA-HG21      3.624      0.889   7.97e+07 ga      9681204 
        V1HB-HG21      1.983      0.889   1.80e+08 ga      8981553 
         G2H-V1HA      9.091      3.633   4.97e+08 ga     22477834 
         G2H-V1HB      9.092      1.984   3.26e+07 ga      1147409 
       G2H-V1HG11      9.089      1.044   6.20e+07 ga      2669147 
       G2H-V1HG21      9.090      0.889   1.16e+08 ga      5603166 
          G2H-HA2      9.090      4.574   1.95e+08 ga      6589956 
          G2H-HA3      9.090      3.784   3.43e+08 ga     11366092 
          G2H-I3H      9.089      8.119   1.53e+07 ga      1208847 
       G2H-I3HG21      9.092      0.743   2.40e+07 ga       823145 
        G2H-D33HA      9.088      5.094   3.53e+07 ga      1095659 
        I3H-G2HA2      8.117      4.574   3.89e+08 ga      8842484 
        I3H-G2HA3      8.118      3.783   1.80e+08 ga      5128034 
           I3H-HA      8.124      4.641   9.22e+07 ga      3340206 
           I3H-HB      8.119      1.944   2.93e+07 ga       788992 
         I3H-HD11      8.117      0.588   6.74e+07 ga      1600225 
         I3H-HG12      8.118      0.997   2.51e+08 ga      5525280 
         I3H-HG21      8.118      0.745   8.57e+07 ga      3551218 
       I3H-V5HG11      8.117      0.902  -1.58e+07 ga       671946 
       I3H-V5HG21      8.125      0.814   2.87e+06 ga       746821 
       I3H-C32HB2      8.117      2.595   1.57e+07 ga       365211 
       I3H-C32HB3      8.125      2.417   1.48e+07 ga       400958 
        I3HB-HD11      1.940      0.589   7.71e+07 ga      3364594 
        I3HB-HG21      1.941      0.745   5.56e+08 ga      6168490 
      I3HG12-HD11      0.992      0.590   1.66e+08 ga      5663100 
      I3HG21-HD11      0.741      0.590   6.54e+08 ga     20088080 
          N4H-I3H      8.861      8.120   6.42e+07 ga      3640125 
         N4H-I3HA      8.861      4.639   4.26e+08 ga     18898996 
         N4H-I3HB      8.862      1.942   1.65e+08 ga      6257629 
       N4H-I3HD11      8.860      0.587   2.73e+07 ga      1531538 
       N4H-I3HG12      8.860      0.997   6.64e+07 ga      1881642 
       N4H-I3HG21      8.858      0.744   1.18e+08 ga      4781437 
          N4H-HB2      8.861      2.950   1.53e+08 ga      5455126 
          N4H-HB3      8.862      2.569   1.56e+08 ga      6506460 
         N4H-HD21      8.860      7.575   1.04e+07 ga       743636 
          N4H-V5H      8.861      7.507   2.11e+07 ga       973075 
       N4H-V5HG11      8.857      0.893   1.09e+07 ga       810696 
       N4HD21-HB2      7.578      2.952   7.97e+07 ga      4953629 
       N4HD21-HB3      7.578      2.570   4.83e+07 ga      3451764 
      N4HD21-HD22      7.577      6.865   1.31e+09 ga    111254600 
       N4HD22-HB2      6.865      2.952   4.16e+07 ga      2509692 
       N4HD22-HB3      6.865      2.568   2.26e+07 ga      2113278 
         V5H-N4HA      7.509      4.643   3.26e+07 ga       716556 
           V5H-HB      7.505      1.244   1.62e+07 ga       367994 
          V5HA-HB      4.111      1.251   1.99e+07 ga       821027 
      V5HB-I3HD11      1.247      0.588   9.12e+07 ga      2082631 
         D6H-V5HA      8.417      4.092   5.65e+08 ga     31074816 
         D6H-V5HB      8.419      1.252   4.09e+07 ga      1105903 
       D6H-V5HG11      8.417      0.894   1.27e+08 ga     11470990 
       D6H-V5HG21      8.417      0.820   7.03e+07 ga      4604172 
           D6H-HA      8.418      5.086   9.84e+07 ga      5150085 
          D6H-HB2      8.417      2.646   1.30e+08 ga      5947085 
          D6H-HB3      8.418      2.460   2.30e+08 ga      9496188 
          D6H-C7H      8.416      8.162   2.00e+07 ga      1235053 
         C7H-D6HA      8.164      5.086   5.32e+08 ga     22276146 
        C7H-D6HB2      8.164      2.648   1.28e+08 ga      5227837 
        C7H-D6HB3      8.163      2.461   5.59e+07 ga      2518377 
           C7H-HA      8.162      4.587   9.12e+07 ga      5299162 
          C7H-HB2      8.164      2.931   4.59e+07 ga      1622680 
          C7H-HB3      8.158      2.721   6.53e+07 ga      2739993 
          K8H-C7H      8.949      8.156   1.33e+07 ga       886562 
         K8H-C7HA      8.956      4.587   9.12e+08 ga     15008777 
        K8H-C7HB2      8.953      2.939   1.37e+08 ga      4244472 
        K8H-C7HB3      8.951      2.720   6.19e+07 ga      2546851 
           K8H-HA      8.954      4.323   1.12e+08 ga      4718594 
          K8H-HB2      8.952      1.548   1.58e+08 ga      4943348 
          K8H-HB3      8.952      1.495   8.63e+07 ga      3169828 
          K8H-HG3      8.952      1.259   3.76e+07 ga      1378011 
          K8H-H9H      8.953      8.084   3.94e+08 ga     14959701 
        K8H-H9HE1      8.956      7.127   2.53e+06 ga       483650 
      K8H-Q12HE21      8.953      7.780   1.19e+07 ga       544473 
      K8H-Q12HE22      8.952      7.060   3.16e+07 ga      1178372 
       K8H-Q12HG3      8.951      2.200   2.18e+07 ga      1267821 
        H9H-C7HB2      8.083      2.941   1.15e+08 ga      4008438 
        H9H-C7HB3      8.082      2.722   1.26e+08 ga      1976764 
         H9H-K8HA      8.082      4.321   6.44e+07 ga      2902635 
        H9H-K8HB2      8.082      1.547   9.19e+07 ga      3255488 
        H9H-K8HB3      8.081      1.492   2.33e+07 ga      2463580 
        H9H-K8HG2      8.083      1.341   6.32e+07 ga       778397 
        H9H-K8HG3      8.082      1.259   6.98e+06 ga       772885 
           H9H-HA      8.083      5.067   1.08e+08 ga      3886879 
          H9H-HB2      8.082      3.517   8.63e+07 ga      2195405 
          H9H-HB3      8.083      3.009   1.06e+08 ga      3575422 
          H9H-HE1      8.081      7.122   2.85e+07 ga      1557349 
         H9H-Q12H      8.080      7.440   2.81e+07 ga       876626 
       H9H-Q12HB#      8.084      2.365   2.76e+07 ga      1591612 
      H9H-Q12HE22      8.078      7.060   2.18e+07 ga       870117 
       H9H-Q12HG2      8.081      2.490   1.05e+07 ga       686120 
       H9H-Q12HG3      8.081      2.201   6.04e+07 ga      2561096 
        H9HB2-HB3      3.534      3.010   3.01e+08 ga     15170404 
      H9HE1-K8HB2      7.122      1.548   7.24e+07 ga      6747662 
      H9HE1-K8HB3      7.123      1.492   6.09e+07 ga      5690470 
        H9HE1-HB2      7.122      3.517   6.75e+07 ga      5841745 
        H9HE1-HB3      7.123      3.011   8.77e+07 ga      8954382 
     H9HE1-Q12HB#      7.121      2.375   1.66e+06 ga       645539 
     H9HE1-Q12HG2      7.122      2.490   4.10e+06 ga       945513 
     H9HE1-Q12HG3      7.121      2.198   2.56e+07 ga      2070640 
        S10H-H9HA      9.929      5.063   1.77e+07 ga      1125325 
          S10H-HA      9.927      4.777   2.23e+08 ga      7912354 
         S10H-HB2      9.929      4.102   1.65e+07 ga      1082561 
    S10HB3-C27HB2      3.952      2.829   1.25e+08 ga      3715447 
    S10HB3-C27HB3      3.953      2.237   2.25e+08 ga      6288208 
       Q12H-H9HB2      7.439      3.515   1.86e+07 ga       940760 
       Q12H-H9HB3      7.439      3.007   6.27e+07 ga      1347180 
      Q12H-G11HA2      7.440      3.989   3.07e+07 ga      1251982 
      Q12H-G11HA3      7.440      3.872   3.74e+07 ga      1564100 
          Q12H-HA      7.444      4.224   1.40e+08 ga      4592922 
         Q12H-HB#      7.440      2.363   2.02e+08 ga      7527984 
         Q12H-HG2      7.440      2.493   8.91e+07 ga      3801107 
         Q12H-HG3      7.440      2.199   3.07e+08 ga     14676006 
      Q12H-C13HB3      7.440      2.569   1.41e+07 ga       671576 
        Q12H-L14H      7.439      7.059   2.30e+07 ga      1530990 
      Q12HE21-HB#      7.777      2.369   1.48e+07 ga      1719717 
     Q12HE21-HE22      7.778      7.061   1.01e+09 ga     80694048 
      Q12HE21-HG2      7.778      2.497   1.22e+08 ga      7036381 
      Q12HE21-HG3      7.778      2.200   9.37e+07 ga      6355540 
     Q12HE22-C7HA      7.060      4.588   8.49e+06 ga      1100062 
    Q12HE22-K8HB2      7.061      1.552   2.85e+07 ga      1736625 
      Q12HE22-HB#      7.059      2.371   1.13e+07 ga      1195935 
      Q12HE22-HG2      7.060      2.495   5.57e+07 ga      3505143 
      Q12HE22-HG3      7.059      2.199   6.76e+07 ga      3780605 
        C13H-Q12H      8.030      7.441   2.00e+08 ga      8506833 
       C13H-Q12HA      8.039      4.244   1.68e+08 ga      5873597 
      C13H-Q12HB#      8.028      2.365   1.17e+07 ga      1709434 
      C13H-Q12HG3      8.037      2.216   1.23e+08 ga      4056758 
          C13H-HA      8.029      4.698   6.68e+07 ga      4126062 
         C13H-HB2      8.032      3.038   1.30e+08 ga      5140756 
         C13H-HB3      8.031      2.577   2.12e+08 ga      7226368 
        C13H-L14H      8.031      7.061   2.70e+08 ga     13388773 
      C13H-L14HB2      8.029      1.791   1.28e+08 ga      1220373 
     C13H-L14HD11      8.033      0.994   1.65e+07 ga      1143165 
     C13H-L14HD21      8.036      0.862   4.83e+07 ga      2115766 
      L14H-G11HA3      7.059      3.874   2.17e+07 ga      1021755 
       L14H-C13HA      7.060      4.700   3.21e+07 ga      2297843 
      L14H-C13HB2      7.060      3.036   1.86e+07 ga      1172278 
      L14H-C13HB3      7.059      2.575   2.05e+07 ga      1737644 
          L14H-HA      7.060      4.130   1.18e+08 ga      8617012 
         L14H-HB2      7.060      1.791   2.45e+08 ga     13162277 
         L14H-HB3      7.060      1.674   3.42e+08 ga     17715414 
        L14H-HD11      7.060      0.997   3.40e+07 ga      2787880 
        L14H-HD21      7.060      0.863   4.64e+07 ga      3186741 
       L14H-K15HA      7.058      4.209   1.95e+07 ga      1025170 
      L14H-P16HD2      7.062      3.610   9.79e+06 ga      1117307 
      L14H-P16HD3      7.059      3.530   2.47e+07 ga      2103107 
      L14H-P16HG2      7.058      2.268   7.37e+06 ga       598488 
        L14HA-HB2      4.132      1.792   2.89e+07 ga      2485501 
        L14HA-HB3      4.129      1.672   6.89e+07 ga      1283534 
       L14HA-HD21      4.129      0.861   2.69e+07 ga      3328279 
      L14HB2-HD11      1.793      0.997   9.14e+07 ga      4313140 
      L14HB2-HD21      1.793      0.863   3.92e+07 ga      3307902 
      L14HB3-HD11      1.674      0.996   2.95e+08 ga     10172580 
      L14HB3-HD21      1.658      0.864   1.39e+08 ga      5568059 
        K15H-C13H      9.017      8.036   2.45e+07 ga       755150 
        K15H-L14H      9.023      7.061   9.05e+07 ga      6759434 
       K15H-L14HA      9.023      4.129   1.94e+07 ga      2335023 
      K15H-L14HB2      9.023      1.799   1.83e+08 ga      7474425 
      K15H-L14HB3      9.023      1.672   2.09e+08 ga      9109391 
     K15H-L14HD11      9.021      0.994   2.04e+07 ga      1256002 
     K15H-L14HD21      9.021      0.865   7.13e+06 ga      1413564 
          K15H-HA      9.023      4.196   1.47e+08 ga      7815453 
         K15H-HB2      9.023      1.872   3.44e+08 ga      9947743 
         K15H-HG2      9.022      1.358   2.72e+07 ga      1775716 
         K15H-HG3      9.023      1.533   7.57e+07 ga      3795755 
      K15H-P16HD2      9.023      3.614   1.96e+08 ga      8966994 
      K15H-P16HD3      9.023      3.532   2.11e+08 ga     10605394 
      K15H-P16HG2      9.023      2.282   2.40e+07 ga      1419356 
      K15H-P16HG3      9.021      2.061   2.32e+07 ga      1055869 
        K15H-C17H      9.024      7.940   1.08e+07 ga       822068 
        K15HA-HB2      4.195      1.886   6.22e+07 ga      3662922 
        K15HA-HB3      4.198      1.841   1.04e+08 ga      3388446 
        K15HA-HG2      4.195      1.352   2.43e+07 ga       946128 
        K15HA-HG3      4.199      1.527   1.83e+07 ga       893947 
        P16HA-HG3      4.184      2.056   3.24e+06 ga       734733 
    P16HB#-I3HD11      1.660      0.589   6.75e+07 ga      3854436 
    P16HD2-K15HB3      3.612      1.849   5.23e+08 ga      5564395 
       P16HD2-HG2      3.613      2.276   1.26e+08 ga      3941544 
       P16HD2-HG3      3.613      2.062   1.22e+08 ga      3975495 
    P16HD3-K15HB3      3.532      1.845   4.16e+08 ga      3222792 
       P16HD3-HG2      3.536      2.277   1.56e+08 ga      3476050 
       P16HD3-HG3      3.529      2.061   1.24e+08 ga      2091799 
    P16HG2-I3HD11      2.272      0.588   1.40e+08 ga      4365893 
    P16HG2-V5HG11      2.272      0.894   1.74e+08 ga      5656535 
    P16HG2-V5HG21      2.272      0.820   1.39e+08 ga      4925346 
       P16HG2-HB#      2.273      1.657   1.01e+09 ga     17373488 
       P16HG2-HG3      2.273      2.062   1.18e+09 ga     18671078 
      C17H-I3HD11      7.938      0.588   4.79e+07 ga      3198222 
      C17H-I3HG21      7.937      0.750   1.82e+06 ga       475918 
      C17H-V5HG11      7.937      0.893   1.48e+07 ga       835771 
      C17H-V5HG21      7.938      0.819   2.15e+06 ga       652528 
       C17H-C13HA      7.938      4.697   2.78e+07 ga      1794296 
        C17H-L14H      7.938      7.060   1.29e+07 ga       510975 
       C17H-P16HA      7.938      4.188   3.14e+07 ga      3647717 
      C17H-P16HB#      7.938      1.656   1.57e+08 ga      7637914 
      C17H-P16HD2      7.938      3.612   3.92e+07 ga      2541397 
      C17H-P16HD3      7.938      3.530   8.19e+07 ga      4872346 
      C17H-P16HG3      7.938      2.058   2.30e+07 ga      1655863 
          C17H-HA      7.938      4.402   1.13e+08 ga      7842052 
         C17H-HB2      7.938      3.034   2.57e+08 ga     12063390 
         C17H-HB3      7.938      2.284   2.64e+08 ga     12360633 
        C17H-K18H      7.938      7.814   2.36e+08 ga     11690884 
      C17H-K18HB3      7.937      1.880   4.13e+07 ga      1829289 
       C17HB2-HB3      3.034      2.291   5.39e+08 ga     10832664 
       K18H-L14HA      7.811      4.129   1.04e+07 ga       728061 
       K18H-P16HA      7.812      4.194   6.15e+07 ga      5016528 
      K18H-P16HD2      7.813      3.610   7.55e+05 ga       377297 
      K18H-P16HD3      7.811      3.528   2.65e+06 ga       567228 
       K18H-C17HA      7.812      4.402   3.38e+07 ga      1877753 
      K18H-C17HB2      7.812      3.034   6.87e+07 ga      3476124 
      K18H-C17HB3      7.813      2.291   5.70e+07 ga      2783154 
          K18H-HA      7.812      4.249   1.37e+08 ga      9458831 
         K18H-HB3      7.812      1.876   5.28e+08 ga     12540462 
         K18H-HD#      7.812      1.645   4.16e+07 ga      1797170 
         K18H-HG3      7.812      1.377   2.13e+07 ga      1676402 
        K18H-A20H      7.812      7.329   2.08e+07 ga      1138699 
        K18HA-HG2      4.254      1.525   1.09e+07 ga       673820 
        K18HA-HG3      4.249      1.388   8.96e+05 ga       404513 
       K19H-P16HA      8.481      4.187   8.01e+07 ga      5787489 
        K19H-C17H      8.481      7.929   2.29e+07 ga      1913476 
        K19H-K18H      8.481      7.812   1.45e+08 ga      9077693 
       K19H-K18HA      8.481      4.249   3.73e+07 ga      2823900 
      K19H-K18HG3      8.480      1.381   3.07e+07 ga      1954269 
          K19H-HA      8.480      4.005   1.10e+08 ga      7753452 
         K19H-HB2      8.481      1.885   3.84e+08 ga     13191286 
         K19H-HB3      8.482      1.816   2.09e+08 ga     11671590 
        K19H-A20H      8.481      7.328   1.42e+08 ga      8781202 
      K19H-A20HB1      8.481      1.470   1.51e+08 ga      2892794 
        K19HA-HB2      4.006      1.890   1.35e+08 ga      7311362 
        K19HA-HB3      4.007      1.817   2.07e+08 ga      5930280 
        K19HA-HG2      4.009      1.498   6.50e+07 ga      1735638 
        K19HA-HG3      4.008      1.430   9.35e+07 ga      2365705 
      A20H-I3HD11      7.327      0.589   8.28e+06 ga       775313 
       A20H-P16HA      7.328      4.184   9.49e+06 ga       815603 
       A20H-K18HA      7.328      4.247   4.45e+06 ga       751326 
       A20H-K19HA      7.327      4.004   3.03e+07 ga      2119764 
      A20H-K19HB2      7.327      1.887   1.00e+08 ga      4158062 
      A20H-K19HB3      7.327      1.816   6.69e+07 ga      3137886 
          A20H-HA      7.327      4.386   2.03e+08 ga      8106097 
         A20H-HB1      7.327      1.464   4.03e+08 ga     23523260 
    A20HB1-I3HD11      1.462      0.587   1.47e+08 ga      7589610 
       G21H-K18HA      7.912      4.251   7.59e+07 ga      2034670 
        G21H-A20H      7.912      7.327   1.78e+08 ga      7855438 
       G21H-A20HA      7.914      4.386   7.65e+07 ga      3682217 
      G21H-A20HB1      7.912      1.463   9.48e+07 ga      3643932 
         G21H-HA1      7.913      4.097   2.23e+08 ga      7711185 
         G21H-HA2      7.912      3.801   3.75e+08 ga     11583050 
        M22H-A20H      8.039      7.323   7.12e+07 ga      1705438 
       M22H-A20HA      8.038      4.398   9.34e+07 ga      1303673 
        M22H-G21H      8.039      7.911   2.30e+08 ga      9382586 
      M22H-G21HA2      8.051      3.804   1.10e+08 ga      2854608 
          M22H-HA      8.050      4.514   9.55e+07 ga      3703743 
         M22H-HB2      8.050      2.053   4.44e+08 ga      2457540 
         M22H-HB3      8.038      1.668   2.96e+08 ga      6562490 
         M22H-HG2      8.039      2.416   8.53e+07 ga      1644454 
       M22HB2-HB3      2.052      1.664   3.75e+08 ga      6006905 
        R23H-M22H      8.481      8.044   1.89e+07 ga      1172435 
       R23H-M22HA      8.475      4.513   1.62e+08 ga      6202231 
      R23H-M22HB3      8.477      1.663   1.60e+08 ga      5329900 
      R23H-M22HG2      8.473      2.421   1.59e+07 ga      1493133 
      R23H-M22HG3      8.474      2.223   2.95e+07 ga      1517864 
          R23H-HA      8.478      4.419   1.11e+08 ga      4491870 
         R23H-HB2      8.476      1.271   1.12e+08 ga      3503784 
         R23H-HB3      8.477      1.198   8.14e+07 ga      2680598 
         R23H-HG2      8.474      1.127   9.82e+07 ga      2874545 
         R23H-HG3      8.476      0.957   4.10e+07 ga      2355904 
        R23H-F24H      8.473      8.157   5.39e+07 ga      2344732 
       R23H-F24HA      8.473      4.310   4.59e+07 ga      2303634 
      R23H-C34HB2      8.476      2.964   3.25e+07 ga      1824083 
      R23H-C34HB3      8.472      2.686   1.67e+07 ga      1137931 
       R23H-T35HB      8.475      3.832   2.31e+07 ga      1369603 
      R23H-P36HB2      8.479      2.291   3.39e+07 ga      1364464 
      R23H-M22HB2      8.475      2.053   2.59e+08 ga      9668240 
       R23HB2-HG3      1.269      0.961   3.06e+08 ga      5317172 
       R23HD2-HB2      2.773      1.268   6.96e+07 ga      2099132 
       R23HD2-HB3      2.776      1.200   8.48e+07 ga      2377974 
       R23HD2-HG2      2.775      1.124   9.55e+07 ga      2626306 
       R23HD2-HG3      2.775      0.957   4.35e+07 ga      2309618 
       R23HD3-HB2      2.728      1.266   8.50e+07 ga      1936992 
       R23HD3-HB3      2.723      1.198   8.39e+07 ga      2056981 
       R23HD3-HG2      2.725      1.123   1.04e+08 ga      2697493 
       R23HD3-HG3      2.723      0.958   8.66e+07 ga      2349097 
       R23HG2-HG3      1.123      0.958   5.96e+08 ga     10695585 
      R23HH2#-HB2      6.796      1.267   2.36e+07 ga      1264210 
      R23HH2#-HB3      6.793      1.198   2.05e+07 ga      1281509 
      R23HH2#-HD2      6.795      2.777   6.16e+07 ga      2943949 
      R23HH2#-HD3      6.795      2.725   5.83e+07 ga      2879617 
      R23HH2#-HG2      6.795      1.123   4.87e+07 ga      2804090 
      R23HH2#-HG3      6.794      0.957   6.15e+07 ga      2066362 
  R23HH2#-T35HG21      6.795      1.380   4.18e+07 ga      1871622 
    R23HH2#-K37HA      6.795      3.800   7.16e+07 ga      3070151 
       F24H-R23HA      8.155      4.418   2.41e+08 ga     10706722 
      F24H-R23HB2      8.156      1.272   1.66e+08 ga      6122825 
      F24H-R23HB3      8.155      1.198   1.38e+08 ga      5580406 
      F24H-R23HG2      8.154      1.133   3.24e+07 ga      1605313 
          F24H-HA      8.154      4.306   5.56e+08 ga     19136520 
         F24H-HB2      8.153      3.262   2.94e+07 ga      1968675 
         F24H-HB3      8.153      3.142   8.04e+07 ga      1735495 
         F24H-HE1      8.154      7.144   6.72e+07 ga      4061662 
       F24H-T35HB      8.153      3.842   1.94e+07 ga       905384 
     F24H-T35HG21      8.157      1.385   1.91e+07 ga      1169404 
        F24HA-HB2      4.319      3.261   2.00e+07 ga      1233864 
        F24HA-HB3      4.318      3.140   3.12e+07 ga      1397682 
       F24HB2-HB3      3.253      3.144   8.93e+08 ga     20002932 
    F24HE1-R23HB2      7.146      1.270   6.94e+07 ga      2541950 
    F24HE1-R23HB3      7.146      1.199   6.46e+07 ga      2769414 
    F24HE1-R23HD2      7.141      2.779   5.61e+06 ga       616882 
    F24HE1-R23HD3      7.143      2.722   6.84e+06 ga       683395 
    F24HE1-R23HG2      7.143      1.132   5.72e+07 ga      1169128 
    F24HE1-R23HG3      7.140      0.956   4.16e+07 ga      1505090 
       F24HE1-HB2      7.147      3.261   9.55e+07 ga      8254760 
       F24HE1-HB3      7.147      3.143   8.26e+07 ga      9438389 
     F24HE1-T35HB      7.147      3.838   2.72e+08 ga      7490648 
   F24HE1-T35HG21      7.147      1.379   1.94e+08 ga      9426945 
    F24HE2-R23HB2      7.303      1.267   5.72e+06 ga       913667 
    F24HE2-R23HB3      7.299      1.197   1.46e+07 ga      1343892 
    F24HE2-R23HD2      7.298      2.775   1.81e+07 ga      1034835 
    F24HE2-R23HD3      7.298      2.718   1.12e+07 ga      1113892 
    F24HE2-R23HG3      7.300      0.955   1.07e+07 ga       750770 
        F24HE2-HA      7.300      4.317   3.59e+07 ga      1875050 
       F24HE2-HB2      7.300      3.261   3.22e+07 ga      1671517 
       F24HE2-HB3      7.298      3.140   4.82e+07 ga      1725008 
     F24HE2-T35HB      7.301      3.830   3.44e+07 ga      1594180 
   F24HE2-T35HG21      7.301      1.379   1.17e+07 ga      4593387 
       G25H-F24HA      8.037      4.318   1.31e+08 ga      6524001 
      G25H-F24HB2      8.036      3.261   3.47e+08 ga     12867661 
      G25H-F24HB3      8.036      3.143   3.24e+08 ga     11113783 
      G25H-F24HE1      8.036      7.137   1.09e+07 ga      2450899 
         G25H-HA1      8.037      4.615   1.47e+08 ga      4538206 
         G25H-HA2      8.034      3.879   1.51e+08 ga      5778806 
    G25HA2-C13HB2      3.889      3.044   1.03e+08 ga      1831181 
    G25HA2-C13HB3      3.885      2.581   6.96e+07 ga      1424055 
   G25HA2-L14HD21      3.883      0.861   2.83e+07 ga      1654990 
       K26H-S10HA      8.997      4.776   2.52e+07 ga      1258705 
        K26H-G25H      8.978      8.035   4.35e+07 ga      1979663 
      K26H-G25HA2      8.981      3.882   2.07e+08 ga      6229906 
         K26H-HB#      8.981      1.710   1.92e+08 ga      5177698 
         K26H-HG#      8.968      1.347   1.29e+08 ga      2266256 
        K26H-C27H      8.983      8.746   1.87e+07 ga      1044766 
       K26H-C32HA      8.982      4.913   2.67e+07 ga      1338764 
      K26H-D33HB3      8.989      2.353   6.21e+07 ga      2649564 
      C27H-S10HB2      8.742      4.104   1.24e+08 ga      4052126 
      C27H-S10HB3      8.741      3.952   1.57e+08 ga      6644437 
       C27H-K26HA      8.741      4.575   3.84e+08 ga     14904695 
      C27H-K26HB#      8.742      1.713   1.29e+08 ga      4170297 
      C27H-K26HG#      8.740      1.355   9.54e+07 ga      1745014 
          C27H-HA      8.743      4.770   6.35e+07 ga      2232902 
         C27H-HB2      8.742      2.829   1.32e+08 ga      5292273 
         C27H-HB3      8.740      2.236   1.52e+08 ga      4860881 
     C27H-I28HD11      8.750      0.739   4.33e+06 ga       683464 
       C27HB2-HB3      2.829      2.234   7.27e+08 ga     19466310 
       I28H-C27HA      8.844      4.763   2.54e+08 ga      7126316 
      I28H-C27HB2      8.841      2.839   3.02e+07 ga      1065597 
      I28H-C27HB3      8.833      2.234   9.43e+07 ga      1220238 
          I28H-HA      8.835      4.286   9.66e+07 ga      4489212 
          I28H-HB      8.835      1.735   2.14e+08 ga      6187061 
        I28H-HG12      8.837      1.374   9.81e+07 ga      2941012 
        I28H-HG13      8.837      0.958   5.94e+07 ga      1921499 
        I28H-HG21      8.847      0.808   1.05e+08 ga      3742139 
        I28H-K31H      8.833      7.635   3.01e+08 ga      3815645 
       I28H-C32HA      8.842      4.914   8.56e+07 ga      2522977 
      I28H-D33HB3      8.839      2.354   2.34e+07 ga       738175 
       I28HB-HD11      1.726      0.741   1.92e+08 ga      6421465 
       I28HB-HG21      1.725      0.804   2.41e+08 ga      7496713 
     I28HG12-HD11      1.380      0.741   2.90e+08 ga      9771260 
     I28HG12-HG13      1.375      0.956   5.78e+08 ga      9499879 
     I28HG12-HG21      1.373      0.807   9.95e+07 ga      2764524 
     I28HG13-HD11      0.968      0.743   7.06e+08 ga     13019583 
       N29H-C27HA      9.398      4.776   3.16e+07 ga      1845013 
        N29H-I28H      9.399      8.839   1.43e+07 ga       944056 
       N29H-I28HB      9.399      1.734   2.24e+07 ga      1318837 
     N29H-I28HD11      9.398      0.743   2.08e+07 ga      2009140 
     N29H-I28HG12      9.401      1.378   2.20e+07 ga      1331768 
     N29H-I28HG13      9.400      0.955   2.66e+07 ga      1320635 
     N29H-I28HG21      9.399      0.806   1.14e+08 ga      7777857 
          N29H-HA      9.399      4.288   8.31e+08 ga     45078396 
         N29H-HB2      9.399      3.023   4.26e+07 ga      2460517 
         N29H-HB3      9.399      2.725   5.37e+07 ga      2334308 
        N29H-G30H      9.399      8.153   8.46e+07 ga      5010340 
      N29H-G30HA2      9.400      4.024   2.50e+07 ga      1242419 
        N29H-K31H      9.400      7.636   2.17e+07 ga       974608 
  N29HD21-I28HG21      7.631      0.807   5.41e+07 ga      4008859 
      N29HD21-HB2      7.632      3.022   3.27e+07 ga      1914028 
      N29HD21-HB3      7.632      2.725   9.49e+07 ga      5694336 
     N29HD21-HD22      7.631      6.872   1.25e+09 ga    119518176 
  N29HD22-I28HG21      6.872      0.806   3.74e+07 ga      2685677 
      N29HD22-HB2      6.874      3.023   7.81e+06 ga       706877 
      N29HD22-HB3      6.873      2.725   3.07e+07 ga      2258729 
      G30H-N29HB2      8.154      3.025   1.27e+07 ga      1045243 
     G30H-N29HD21      8.153      7.636   1.38e+08 ga      6566900 
         G30H-HA2      8.154      4.023   6.29e+08 ga     28416200 
       K31H-N29HA      7.631      4.292   3.46e+07 ga      1327873 
      K31H-G30HA2      7.629      4.022   4.54e+08 ga      4941134 
          K31H-HA      7.635      5.364   1.04e+08 ga      4586084 
         K31H-HB2      7.631      1.891   2.79e+08 ga      2761898 
         K31H-HB3      7.642      1.778   3.17e+08 ga      5419938 
         K31H-HD#      7.628      1.464   3.99e+07 ga      1710194 
         K31H-HG#      7.629      1.407   7.43e+07 ga      1988576 
   K31HD#-I28HD11      1.464      0.745   2.27e+08 ga     12570510 
       C32H-K31HA      8.317      5.364   2.15e+08 ga      3040038 
          C32H-HA      8.313      4.916   8.42e+06 ga       546856 
         C32H-HB2      8.315      2.608   2.25e+07 ga       589998 
         C32H-HB3      8.316      2.419   2.83e+07 ga      1129533 
    C32HB2-I3HD11      2.599      0.588   1.27e+08 ga      3895820 
    C32HB2-I3HG12      2.600      1.000   2.55e+08 ga      3737900 
      C32HB2-V5HB      2.600      1.250   1.99e+07 ga      2303790 
    C32HB2-V5HG11      2.601      0.900   9.74e+06 ga      1034499 
    C32HB2-V5HG21      2.601      0.816   6.82e+06 ga      1435874 
    C32HB3-I3HD11      2.418      0.589   1.84e+08 ga      3054649 
    C32HB3-I3HG12      2.417      1.002   2.00e+08 ga      3366680 
      C32HB3-V5HB      2.418      1.250   1.79e+08 ga      2488676 
    C32HB3-V5HG21      2.418      0.819   3.31e+06 ga      1172117 
       D33H-G2HA2      9.455      4.586   4.59e+07 ga       945364 
        D33H-K26H      9.450      8.983   1.13e+08 ga      3981347 
      D33H-K26HB#      9.459      1.709   6.84e+07 ga      1315261 
       D33H-C27HA      9.455      4.763   3.41e+07 ga      1095218 
        D33H-I28H      9.451      8.841   3.01e+07 ga      1081497 
     D33H-I28HD11      9.452      0.742   9.38e+07 ga      1392521 
     D33H-I28HG12      9.447      1.370   3.09e+07 ga      1119272 
     D33H-I28HG21      9.455      0.811   2.20e+07 ga       923913 
        D33H-C32H      9.460      8.316   2.39e+06 ga       426370 
       D33H-C32HA      9.451      4.915   3.93e+08 ga     13734890 
      D33H-C32HB3      9.453      2.420   3.71e+07 ga      1388984 
          D33H-HA      9.450      5.089   9.09e+07 ga      2254714 
         D33H-HB2      9.451      2.626   2.32e+08 ga      6192856 
         D33H-HB3      9.451      2.353   1.36e+08 ga      4050171 
     D33HB2-I28HB      2.634      1.721   6.40e+07 ga      2604787 
   D33HB2-I28HD11      2.633      0.741   1.45e+08 ga      4549354 
   D33HB2-I28HG12      2.633      1.372   1.55e+07 ga      1925340 
     D33HB3-I28HB      2.338      1.728   9.01e+07 ga      2023900 
   D33HB3-I28HD11      2.339      0.742   1.96e+07 ga      3615608 
   D33HB3-I28HG12      2.339      1.374   1.24e+07 ga      1021660 
   D33HB3-I28HG13      2.338      0.952   6.17e+06 ga       789950 
   D33HB3-I28HG21      2.338      0.800   8.61e+06 ga      1118783 
        C34H-V1HB      8.989      1.980   3.44e+07 ga      1156402 
      C34H-V1HG11      9.002      1.044   1.11e+07 ga       638695 
      C34H-V1HG21      9.003      0.885   6.74e+07 ga      1316722 
       C34H-D33HA      8.990      5.090   4.82e+08 ga     16230921 
          C34H-HA      8.989      5.188   1.43e+08 ga      4475863 
         C34H-HB2      8.989      2.960   6.96e+07 ga      3012296 
         C34H-HB3      8.990      2.681   1.86e+08 ga      4470267 
        C34H-T35H      8.989      8.679   2.24e+07 ga      1213734 
      T35H-M22HB2      8.674      2.053   5.05e+07 ga      1506014 
      T35H-M22HB3      8.677      1.669   1.51e+07 ga       773846 
        T35H-R23H      8.677      8.477   8.46e+07 ga      2468704 
       T35H-R23HA      8.669      4.418   1.40e+07 ga       429474 
      T35H-R23HB2      8.677      1.270   3.37e+06 ga       664113 
      T35H-R23HB3      8.678      1.205   6.08e+06 ga       459241 
      T35H-R23HG2      8.679      1.120   3.29e+06 ga       347490 
        T35H-F24H      8.677      8.157   7.10e+06 ga       578250 
      T35H-F24HB2      8.677      3.261   1.58e+07 ga       788239 
      T35H-F24HB3      8.675      3.141   4.18e+07 ga      1375528 
      T35H-F24HE1      8.679      7.143   4.94e+07 ga      1007979 
        T35H-G25H      8.677      8.038   1.70e+07 ga       962317 
      T35H-G25HA1      8.679      4.612   6.13e+07 ga      1764106 
       T35H-C34HA      8.675      5.188   3.39e+08 ga     11722781 
      T35H-C34HB2      8.676      2.965   1.06e+08 ga      4091913 
      T35H-C34HB3      8.677      2.684   8.38e+07 ga      2247682 
          T35H-HA      8.672      4.881   8.68e+07 ga      3870652 
          T35H-HB      8.674      3.838   2.56e+08 ga      9689784 
        T35H-HG21      8.675      1.379   7.02e+07 ga      3217620 
       T35H-P36HA      8.672      4.319   1.34e+07 ga       619854 
      T35H-P36HB2      8.679      2.293   1.64e+07 ga       756806 
      T35H-P36HD2      8.672      3.950   2.49e+07 ga      1182492 
     T35HB-F24HB2      3.837      3.261   9.10e+07 ga      1685332 
     T35HB-F24HB3      3.838      3.142   9.69e+07 ga      2762902 
       P36HB2-HB3      2.287      1.964   7.19e+08 ga      9939327 
    P36HB3-V1HG11      1.958      1.043   7.69e+07 ga      5982330 
    P36HD2-V1HG11      3.949      1.046   5.04e+07 ga      1683258 
   P36HD2-T35HG21      3.949      1.378   1.08e+08 ga      3654185 
       P36HD2-HG2      3.945      2.065   1.09e+08 ga      2636250 
       P36HD2-HG3      3.944      1.930   1.00e+08 ga      2755041 
    P36HD3-V1HG11      3.807      1.045   5.02e+07 ga      1544428 
   P36HD3-T35HG21      3.824      1.379   6.35e+08 ga     13879688 
       P36HD3-HG2      3.817      2.065   2.23e+08 ga      4454091 
       P36HD3-HG3      3.809      1.937   7.24e+08 ga      3012207 
    P36HG2-V1HG11      2.060      1.046   3.01e+07 ga      1928687 
    P36HG2-V1HG21      2.059      0.896   1.41e+07 ga      1820495 
       K37H-M22HA      8.271      4.513   3.26e+07 ga      1596245 
      K37H-M22HG2      8.278      2.420   3.95e+07 ga      1648626 
     K37H-T35HG21      8.272      1.378   1.96e+07 ga      1233402 
       K37H-P36HA      8.271      4.309   3.13e+08 ga     15334121 
      K37H-P36HB2      8.276      2.295   6.18e+07 ga      2654096 
      K37H-P36HG2      8.271      2.060   4.89e+07 ga      1255873 
      K37H-P36HG3      8.274      1.959   6.43e+07 ga      1928044 
          K37H-HA      8.270      3.802   1.27e+08 ga      5164282 
         K37H-HB#      8.271      1.667   2.46e+08 ga      5311239 
         K37H-HD#      8.271      1.300   2.66e+08 ga      2052158 
     K37HA-R23HD2      3.796      2.777   5.18e+07 ga      2216440 
     K37HA-R23HG2      3.802      1.118   2.22e+07 ga      1442680 
     K37HA-R23HG3      3.802      0.956   1.66e+08 ga      1781050 
        K37HA-HB#      3.799      1.673   3.03e+08 ga      5341662 
! This is an input from J coupling

     
!phi constraint of C7
assign (resid 6 and name c)  (resid 7 and name n)
       (resid 7 and name ca) (resid 7 and name c)  1.0 -65 25 2
       
!phi constraint of K8
assign (resid 7 and name c)  (resid 8 and name n)
       (resid 8 and name ca) (resid 8 and name c)  1.0 -65 25 2
       
!phi constraint of S10
assign (resid 9 and name c)  (resid 10 and name n)
       (resid 10 and name ca) (resid 10 and name c)  1.0 -65 25 2
       
!phi constraint of Q12
assign (resid 11 and name c)  (resid 12 and name n)
       (resid 12 and name ca) (resid 12 and name c)  1.0 -65 25 2

!phi constraint of C13
assign (resid 12 and name c)  (resid 13 and name n)
       (resid 13 and name ca) (resid 13 and name c)  1.0 -65 25 2

!phi constraint of L14
assign (resid 13 and name c)  (resid 14 and name n)
       (resid 14 and name ca) (resid 14 and name c)  1.0 -65 25 2

!phi constraint of K15
assign (resid 14 and name c)  (resid 15 and name n)
       (resid 15 and name ca) (resid 15 and name c)  1.0 -65 25 2

!phi constraint of C17
assign (resid 16 and name c)  (resid 17 and name n)
       (resid 17 and name ca) (resid 17 and name c)  1.0 -65 25 2

!phi constraint of K18
assign (resid 17 and name c)  (resid 18 and name n)
       (resid 18 and name ca) (resid 18 and name c)  1.0 -65 25 2

!phi constraint of K19
assign (resid 18 and name c)  (resid 19 and name n)
       (resid 19 and name ca) (resid 19 and name c)  1.0 -65 25 2
       
!phi constraint of A20
assign (resid 19 and name c)  (resid 20 and name n)
       (resid 20 and name ca) (resid 20 and name c)  1.0 -65 25 2

!phi constraint of K26
assign (resid 25 and name c)  (resid 26 and name n)
       (resid 26 and name ca) (resid 26 and name c)  1.0 -120 25 2
       
!phi constraint of C27
assign (resid 26 and name c)  (resid 27 and name n)
       (resid 27 and name ca) (resid 27 and name c)  1.0 -120 40 2
       
!phi constraint of I28
assign (resid 27 and name c)  (resid 28 and name n)
       (resid 28 and name ca) (resid 28 and name c)  1.0 -120 40 2

!phi constraint of N29
assign (resid 28 and name c)  (resid 29 and name n)
       (resid 29 and name ca) (resid 29 and name c)  1.0 -65 25 2

!phi constraint of K31
assign (resid 30 and name c)  (resid 31 and name n)
       (resid 31 and name ca) (resid 31 and name c)  1.0 -80 40 2
       
!phi constraint of C32
assign (resid 31 and name c)  (resid 32 and name n)
       (resid 32 and name ca) (resid 32 and name c)  1.0 -120 40 2
       
!phi constraint of D33
assign (resid 32 and name c)  (resid 33 and name n)
       (resid 33 and name ca) (resid 33 and name c)  1.0 -120 40 2

!phi constraint of C34
assign (resid 33 and name c)  (resid 34 and name n)
       (resid 34 and name ca) (resid 34 and name c)  1.0 -120 40 2
       
!phi constraint of T35
assign (resid 34 and name c)  (resid 35 and name n)
       (resid 35 and name ca) (resid 35 and name c)  1.0 -120 40 2
       
!phi constraint of K37
assign (resid 36 and name c)  (resid 37 and name n)
       (resid 37 and name ca) (resid 37 and name c)  1.0 -65 25 2
assign ( residue   3 and name HN  ) ( residue   32  and name O )  1.80  0.00  0.50
assign ( residue   3 and name N  )  ( residue   32  and name O )  2.80  0.00  0.50

assign ( residue   7 and name HN  ) ( residue   30  and name O )  1.80  0.00  0.50
assign ( residue   7 and name N  )  ( residue   30  and name O )  2.80  0.00  0.50

assign ( residue   12 and name HN  ) ( residue   9  and name O )  1.80  0.00  0.50
assign ( residue   12 and name N  )  ( residue   9  and name O )  2.80  0.00  0.50

assign ( residue   13 and name HN  ) ( residue   10  and name O )  1.80  0.00  0.50
assign ( residue   13 and name N  )  ( residue   10  and name O )  2.80  0.00  0.50

assign ( residue   17 and name HN  ) ( residue   13  and name O )  1.80  0.00  0.50
assign ( residue   17 and name N  )  ( residue   13  and name O )  2.80  0.00  0.50

assign ( residue   18 and name HN  ) ( residue   14  and name O )  1.80  0.00  0.50
assign ( residue   18 and name N  )  ( residue   14  and name O )  2.80  0.00  0.50

assign ( residue   20 and name HN  ) ( residue   16  and name O )  1.80  0.00  0.50
assign ( residue   20 and name N  )  ( residue   16  and name O )  2.80  0.00  0.50

assign ( residue   21 and name HN  ) ( residue   17  and name O )  1.80  0.00  0.50
assign ( residue   21 and name N  )  ( residue   17  and name O )  2.80  0.00  0.50

assign ( residue   22 and name HN  ) ( residue   17  and name O )  1.80  0.00  0.50
assign ( residue   22 and name N  )  ( residue   17  and name O )  2.80  0.00  0.50

assign ( residue   23 and name HN  ) ( residue   35  and name O )  1.80  0.00  0.50
assign ( residue   23 and name N  )  ( residue   35  and name O )  2.80  0.00  0.50

assign ( residue   26 and name HN  ) ( residue   33  and name O )  1.80  0.00  0.50
assign ( residue   26 and name N  )  ( residue   33  and name O )  2.80  0.00  0.50

assign ( residue   28 and name HN  ) ( residue   31  and name O )  1.80  0.00  0.50
assign ( residue   28 and name N  )  ( residue   31  and name O )  2.80  0.00  0.50

assign ( residue   32 and name HN  ) ( residue   3  and name O )  1.80  0.00  0.50
assign ( residue   32 and name N  )  ( residue   3  and name O )  2.80  0.00  0.50


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   VAL   1           H1       VAL   1  -4.540  -9.336  -4.352
    2    H2   VAL   1           H2       VAL   1  -6.009  -9.062  -3.562
    3    H3   VAL   1           H3       VAL   1  -4.603  -9.335  -2.663
    4    HA   VAL   1           HA       VAL   1  -5.103  -7.016  -4.429
    5    HB   VAL   1           HB       VAL   1  -4.906  -5.754  -2.198
    6   HG11  VAL   1          HG11      VAL   1  -7.275  -5.861  -1.823
    7   HG12  VAL   1          HG12      VAL   1  -7.365  -7.452  -2.581
    8   HG13  VAL   1          HG13      VAL   1  -6.982  -6.034  -3.556
    9   HG21  VAL   1          HG21      VAL   1  -4.121  -7.613  -0.840
   10   HG22  VAL   1          HG22      VAL   1  -5.613  -8.498  -1.162
   11   HG23  VAL   1          HG23      VAL   1  -5.658  -7.004  -0.224
   12    H    GLY   2           H        GLY   2  -3.498  -5.195  -3.471
   13    HA2  GLY   2           HA2      GLY   2  -1.177  -4.911  -2.751
   14    HA3  GLY   2           HA3      GLY   2  -0.837  -6.462  -3.508
   15    H    ILE   3           H        ILE   3  -0.036  -3.481  -3.922
   16    HA   ILE   3           HA       ILE   3  -0.978  -3.170  -6.683
   17    HB   ILE   3           HB       ILE   3  -0.534  -0.831  -6.449
   18   HG12  ILE   3          HG12      ILE   3   0.675  -1.550  -3.768
   19   HG13  ILE   3          HG13      ILE   3   1.559  -0.984  -5.178
   20   HG21  ILE   3          HG21      ILE   3  -1.980  -0.332  -4.451
   21   HG22  ILE   3          HG22      ILE   3  -1.902  -2.042  -4.053
   22   HG23  ILE   3          HG23      ILE   3  -2.639  -1.522  -5.567
   23   HD11  ILE   3          HD11      ILE   3  -0.450   0.568  -3.589
   24   HD12  ILE   3          HD12      ILE   3   0.352   1.149  -5.044
   25   HD13  ILE   3          HD13      ILE   3   1.294   0.802  -3.592
   26    H    ASN   4           H        ASN   4   0.683  -1.689  -7.917
   27    HA   ASN   4           HA       ASN   4   3.125  -3.317  -8.043
   28    HB2  ASN   4           HB2      ASN   4   1.696  -3.301 -10.079
   29    HB3  ASN   4           HB3      ASN   4   1.904  -1.556 -10.188
   30   HD21  ASN   4          HD21      ASN   4   2.873  -1.686 -12.197
   31   HD22  ASN   4          HD22      ASN   4   4.481  -2.280 -12.416
   32    H    VAL   5           H        VAL   5   3.821  -1.996  -6.217
   33    HA   VAL   5           HA       VAL   5   5.026   0.521  -7.119
   34    HB   VAL   5           HB       VAL   5   2.892   0.568  -5.486
   35   HG11  VAL   5          HG11      VAL   5   3.556   0.783  -3.183
   36   HG12  VAL   5          HG12      VAL   5   5.200   0.304  -3.596
   37   HG13  VAL   5          HG13      VAL   5   3.869  -0.837  -3.799
   38   HG21  VAL   5          HG21      VAL   5   3.664   2.735  -4.658
   39   HG22  VAL   5          HG22      VAL   5   4.036   2.534  -6.368
   40   HG23  VAL   5          HG23      VAL   5   5.307   2.348  -5.163
   41    H    ASP   6           H        ASP   6   6.646   1.185  -5.195
   42    HA   ASP   6           HA       ASP   6   8.053  -1.231  -4.317
   43    HB2  ASP   6           HB2      ASP   6  10.209  -0.215  -4.811
   44    HB3  ASP   6           HB3      ASP   6   9.233  -0.330  -6.264
   45    H    CYS   7           H        CYS   7   7.973  -1.257  -2.228
   46    HA   CYS   7           HA       CYS   7   7.762   1.240  -0.744
   47    HB2  CYS   7           HB2      CYS   7   7.355  -0.308   1.215
   48    HB3  CYS   7           HB3      CYS   7   6.144  -0.330  -0.051
   49    H    LYS   8           H        LYS   8   9.414   2.132   0.281
   50    HA   LYS   8           HA       LYS   8  11.730   0.550   1.040
   51    HB2  LYS   8           HB2      LYS   8  10.996   3.400   1.763
   52    HB3  LYS   8           HB3      LYS   8  12.562   2.644   2.017
   53    HG2  LYS   8           HG2      LYS   8  12.918   2.484  -0.363
   54    HG3  LYS   8           HG3      LYS   8  11.293   3.105  -0.666
   55    HD2  LYS   8           HD2      LYS   8  13.474   4.625   0.764
   56    HD3  LYS   8           HD3      LYS   8  13.072   4.817  -0.942
   57    HE2  LYS   8           HE2      LYS   8  10.792   5.485  -0.312
   58    HE3  LYS   8           HE3      LYS   8  11.226   5.330   1.388
   59    HZ1  LYS   8           HZ1      LYS   8  11.334   7.618   0.685
   60    HZ2  LYS   8           HZ2      LYS   8  12.422   7.232  -0.550
   61    HZ3  LYS   8           HZ3      LYS   8  12.886   7.068   1.069
   62    H    HIS   9           H        HIS   9   8.659   1.408   2.130
   63    HA   HIS   9           HA       HIS   9   8.843  -0.083   4.538
   64    HB2  HIS   9           HB2      HIS   9   8.201   1.888   6.046
   65    HB3  HIS   9           HB3      HIS   9   9.892   1.748   5.588
   66    HD1  HIS   9           HD1      HIS   9  10.886   3.610   4.153
   67    HD2  HIS   9           HD2      HIS   9   6.832   4.095   4.941
   68    HE1  HIS   9           HE1      HIS   9  10.311   5.911   3.348
   69    HE2  HIS   9           HE2      HIS   9   7.905   6.263   4.020
   70    H    SER  10           H        SER  10   6.746   0.137   5.827
   71    HA   SER  10           HA       SER  10   4.624  -0.287   3.973
   72    HB2  SER  10           HB2      SER  10   3.309  -0.551   6.189
   73    HB3  SER  10           HB3      SER  10   4.607  -1.696   5.839
   74    HG   SER  10           HG       SER  10   4.396   0.142   7.847
   75    H    GLY  11           H        GLY  11   5.530   2.386   6.047
   76    HA2  GLY  11           HA2      GLY  11   3.065   3.693   6.233
   77    HA3  GLY  11           HA3      GLY  11   4.631   4.471   6.355
   78    H    GLN  12           H        GLN  12   5.315   3.581   3.572
   79    HA   GLN  12           HA       GLN  12   4.059   5.864   2.276
   80    HB2  GLN  12           HB2      GLN  12   5.740   5.641   0.570
   81    HB3  GLN  12           HB3      GLN  12   6.523   5.504   2.138
   82    HG2  GLN  12           HG2      GLN  12   6.607   3.093   1.911
   83    HG3  GLN  12           HG3      GLN  12   5.765   3.196   0.365
   84   HE21  GLN  12          HE21      GLN  12   6.854   4.001  -1.429
   85   HE22  GLN  12          HE22      GLN  12   8.582   4.106  -1.476
   86    H    CYS  13           H        CYS  13   3.139   2.795   2.691
   87    HA   CYS  13           HA       CYS  13   2.359   2.198  -0.036
   88    HB2  CYS  13           HB2      CYS  13   1.878   0.776   2.587
   89    HB3  CYS  13           HB3      CYS  13   1.255   0.208   1.044
   90    H    LEU  14           H        LEU  14   1.166   3.952   2.570
   91    HA   LEU  14           HA       LEU  14  -1.570   3.327   2.501
   92    HB2  LEU  14           HB2      LEU  14  -0.257   5.918   3.315
   93    HB3  LEU  14           HB3      LEU  14  -1.881   5.414   3.734
   94    HG   LEU  14           HG       LEU  14   0.697   4.154   4.667
   95   HD11  LEU  14          HD11      LEU  14   0.153   6.249   5.769
   96   HD12  LEU  14          HD12      LEU  14  -0.037   4.888   6.873
   97   HD13  LEU  14          HD13      LEU  14  -1.459   5.643   6.151
   98   HD21  LEU  14          HD21      LEU  14  -0.906   2.398   4.335
   99   HD22  LEU  14          HD22      LEU  14  -2.158   3.324   5.166
  100   HD23  LEU  14          HD23      LEU  14  -0.765   2.718   6.064
  101    H    LYS  15           H        LYS  15   0.040   6.251   1.252
  102    HA   LYS  15           HA       LYS  15  -2.133   7.311  -0.015
  103    HB2  LYS  15           HB2      LYS  15   0.083   8.403   0.482
  104    HB3  LYS  15           HB3      LYS  15   0.695   7.635  -0.977
  105    HG2  LYS  15           HG2      LYS  15  -1.037   8.772  -2.281
  106    HG3  LYS  15           HG3      LYS  15  -1.586   9.553  -0.800
  107    HD2  LYS  15           HD2      LYS  15   0.542  10.677  -0.558
  108    HD3  LYS  15           HD3      LYS  15   1.177   9.828  -1.969
  109    HE2  LYS  15           HE2      LYS  15  -1.131  11.771  -1.968
  110    HE3  LYS  15           HE3      LYS  15   0.508  12.122  -2.514
  111    HZ1  LYS  15           HZ1      LYS  15  -0.900  11.623  -4.383
  112    HZ2  LYS  15           HZ2      LYS  15  -1.350  10.139  -3.710
  113    HZ3  LYS  15           HZ3      LYS  15   0.244  10.391  -4.208
  114    HA   PRO  16           HA       PRO  16  -0.783   5.599  -4.272
  115    HB2  PRO  16           HB2      PRO  16   0.844   3.411  -4.387
  116    HB3  PRO  16           HB3      PRO  16   1.433   5.075  -4.456
  117    HG2  PRO  16           HG2      PRO  16   1.361   3.180  -2.147
  118    HG3  PRO  16           HG3      PRO  16   2.625   4.331  -2.618
  119    HD2  PRO  16           HD2      PRO  16   0.868   4.844  -0.616
  120    HD3  PRO  16           HD3      PRO  16   1.553   6.116  -1.642
  121    H    CYS  17           H        CYS  17  -1.191   3.287  -1.660
  122    HA   CYS  17           HA       CYS  17  -2.621   1.441  -3.362
  123    HB2  CYS  17           HB2      CYS  17  -1.200   0.909  -1.241
  124    HB3  CYS  17           HB3      CYS  17  -2.670   1.330  -0.367
  125    H    LYS  18           H        LYS  18  -3.305   4.090  -1.243
  126    HA   LYS  18           HA       LYS  18  -6.109   3.620  -0.985
  127    HB2  LYS  18           HB2      LYS  18  -4.945   5.008   0.617
  128    HB3  LYS  18           HB3      LYS  18  -4.401   6.090  -0.653
  129    HG2  LYS  18           HG2      LYS  18  -6.753   6.727  -1.056
  130    HG3  LYS  18           HG3      LYS  18  -7.221   5.720   0.320
  131    HD2  LYS  18           HD2      LYS  18  -6.027   7.072   1.840
  132    HD3  LYS  18           HD3      LYS  18  -5.162   7.895   0.541
  133    HE2  LYS  18           HE2      LYS  18  -8.112   8.110   1.140
  134    HE3  LYS  18           HE3      LYS  18  -6.889   9.330   1.490
  135    HZ1  LYS  18           HZ1      LYS  18  -7.701   8.382  -1.204
  136    HZ2  LYS  18           HZ2      LYS  18  -6.462   9.490  -0.901
  137    HZ3  LYS  18           HZ3      LYS  18  -8.059   9.885  -0.519
  138    H    LYS  19           H        LYS  19  -4.023   5.411  -3.170
  139    HA   LYS  19           HA       LYS  19  -6.116   6.445  -4.807
  140    HB2  LYS  19           HB2      LYS  19  -3.894   7.462  -4.802
  141    HB3  LYS  19           HB3      LYS  19  -3.185   5.967  -5.395
  142    HG2  LYS  19           HG2      LYS  19  -3.385   7.585  -7.182
  143    HG3  LYS  19           HG3      LYS  19  -4.441   6.204  -7.483
  144    HD2  LYS  19           HD2      LYS  19  -6.339   7.504  -6.587
  145    HD3  LYS  19           HD3      LYS  19  -5.268   8.891  -6.383
  146    HE2  LYS  19           HE2      LYS  19  -5.958   7.522  -8.980
  147    HE3  LYS  19           HE3      LYS  19  -6.553   9.090  -8.438
  148    HZ1  LYS  19           HZ1      LYS  19  -3.744   8.391  -9.100
  149    HZ2  LYS  19           HZ2      LYS  19  -4.232   9.871  -8.444
  150    HZ3  LYS  19           HZ3      LYS  19  -4.771   9.410  -9.975
  151    H    ALA  20           H        ALA  20  -4.251   3.496  -4.706
  152    HA   ALA  20           HA       ALA  20  -4.942   2.434  -7.214
  153    HB1  ALA  20           HB1      ALA  20  -3.144   1.571  -5.674
  154    HB2  ALA  20           HB2      ALA  20  -4.185   0.331  -6.376
  155    HB3  ALA  20           HB3      ALA  20  -4.428   0.841  -4.707
  156    H    GLY  21           H        GLY  21  -6.432   2.008  -4.013
  157    HA2  GLY  21           HA2      GLY  21  -9.008   2.240  -4.439
  158    HA3  GLY  21           HA3      GLY  21  -8.738   0.724  -5.283
  159    H    MET  22           H        MET  22  -6.643   1.013  -2.665
  160    HA   MET  22           HA       MET  22  -8.416  -0.684  -1.055
  161    HB2  MET  22           HB2      MET  22  -5.398  -0.544  -1.105
  162    HB3  MET  22           HB3      MET  22  -6.325  -1.506   0.037
  163    HG2  MET  22           HG2      MET  22  -5.653  -3.004  -1.628
  164    HG3  MET  22           HG3      MET  22  -7.349  -2.656  -1.969
  165    HE1  MET  22           HE1      MET  22  -5.855  -3.137  -5.563
  166    HE2  MET  22           HE2      MET  22  -7.102  -3.643  -4.424
  167    HE3  MET  22           HE3      MET  22  -5.410  -4.023  -4.104
  168    H    ARG  23           H        ARG  23  -7.492  -0.563   1.419
  169    HA   ARG  23           HA       ARG  23  -8.106   2.228   2.056
  170    HB2  ARG  23           HB2      ARG  23  -8.296  -0.279   3.735
  171    HB3  ARG  23           HB3      ARG  23  -8.702   1.330   4.315
  172    HG2  ARG  23           HG2      ARG  23 -10.324   1.416   2.334
  173    HG3  ARG  23           HG3      ARG  23 -10.080  -0.324   2.247
  174    HD2  ARG  23           HD2      ARG  23 -10.930   1.057   4.767
  175    HD3  ARG  23           HD3      ARG  23 -12.082   0.478   3.571
  176    HE   ARG  23           HE       ARG  23 -10.686  -1.732   4.006
  177   HH11  ARG  23          HH11      ARG  23 -11.952   0.611   6.282
  178   HH12  ARG  23          HH12      ARG  23 -12.196  -0.557   7.542
  179   HH21  ARG  23          HH21      ARG  23 -10.996  -3.262   5.661
  180   HH22  ARG  23          HH22      ARG  23 -11.650  -2.764   7.189
  181    H    PHE  24           H        PHE  24  -5.960  -0.353   3.200
  182    HA   PHE  24           HA       PHE  24  -4.192   1.716   4.342
  183    HB2  PHE  24           HB2      PHE  24  -3.966  -1.143   5.164
  184    HB3  PHE  24           HB3      PHE  24  -3.756   0.322   6.125
  185    HD1  PHE  24           HD2      PHE  24  -5.758   1.520   6.992
  186    HD2  PHE  24           HD1      PHE  24  -6.019  -2.198   4.970
  187    HE1  PHE  24           HE2      PHE  24  -8.053   1.222   7.833
  188    HE2  PHE  24           HE1      PHE  24  -8.307  -2.505   5.791
  189    HZ   PHE  24           HZ       PHE  24  -9.332  -0.794   7.240
  190    H    GLY  25           H        GLY  25  -2.044  -0.252   4.740
  191    HA2  GLY  25           HA2      GLY  25  -1.347  -1.590   2.387
  192    HA3  GLY  25           HA3      GLY  25  -0.693   0.038   2.281
  193    H    LYS  26           H        LYS  26   0.456  -2.792   2.662
  194    HA   LYS  26           HA       LYS  26   2.347  -1.972   4.762
  195    HB2  LYS  26           HB2      LYS  26   0.683  -3.831   5.446
  196    HB3  LYS  26           HB3      LYS  26   1.580  -4.845   4.322
  197    HG2  LYS  26           HG2      LYS  26   3.645  -4.352   5.595
  198    HG3  LYS  26           HG3      LYS  26   2.670  -3.467   6.766
  199    HD2  LYS  26           HD2      LYS  26   2.816  -5.539   7.764
  200    HD3  LYS  26           HD3      LYS  26   1.302  -5.691   6.874
  201    HE2  LYS  26           HE2      LYS  26   2.582  -7.684   6.520
  202    HE3  LYS  26           HE3      LYS  26   2.577  -6.760   5.020
  203    HZ1  LYS  26           HZ1      LYS  26   4.783  -6.717   7.006
  204    HZ2  LYS  26           HZ2      LYS  26   4.786  -5.985   5.480
  205    HZ3  LYS  26           HZ3      LYS  26   4.773  -7.669   5.613
  206    H    CYS  27           H        CYS  27   4.477  -2.716   4.436
  207    HA   CYS  27           HA       CYS  27   5.113  -3.245   1.655
  208    HB2  CYS  27           HB2      CYS  27   6.407  -1.543   2.919
  209    HB3  CYS  27           HB3      CYS  27   6.966  -2.807   4.009
  210    H    ILE  28           H        ILE  28   5.754  -5.169   0.894
  211    HA   ILE  28           HA       ILE  28   6.185  -7.312   2.864
  212    HB   ILE  28           HB       ILE  28   4.609  -7.437   0.286
  213   HG12  ILE  28          HG12      ILE  28   3.916  -7.528   3.200
  214   HG13  ILE  28          HG13      ILE  28   3.231  -6.522   1.931
  215   HG21  ILE  28          HG21      ILE  28   4.368  -9.694   0.424
  216   HG22  ILE  28          HG22      ILE  28   4.796  -9.765   2.135
  217   HG23  ILE  28          HG23      ILE  28   6.053  -9.517   0.920
  218   HD11  ILE  28          HD11      ILE  28   2.182  -8.532   0.961
  219   HD12  ILE  28          HD12      ILE  28   1.630  -8.173   2.599
  220   HD13  ILE  28          HD13      ILE  28   2.794  -9.470   2.325
  221    H    ASN  29           H        ASN  29   6.371  -8.371  -0.361
  222    HA   ASN  29           HA       ASN  29   9.267  -8.521  -0.127
  223    HB2  ASN  29           HB2      ASN  29   9.041 -10.064  -2.139
  224    HB3  ASN  29           HB3      ASN  29   8.326 -10.625  -0.638
  225   HD21  ASN  29          HD21      ASN  29   6.913  -8.218  -2.787
  226   HD22  ASN  29          HD22      ASN  29   5.571  -9.189  -3.280
  227    H    GLY  30           H        GLY  30   8.569  -6.006  -0.525
  228    HA2  GLY  30           HA2      GLY  30   9.503  -4.328  -1.901
  229    HA3  GLY  30           HA3      GLY  30   9.497  -5.463  -3.244
  230    H    LYS  31           H        LYS  31   6.606  -5.924  -1.899
  231    HA   LYS  31           HA       LYS  31   5.321  -3.995  -3.709
  232    HB2  LYS  31           HB2      LYS  31   3.497  -5.549  -3.926
  233    HB3  LYS  31           HB3      LYS  31   4.990  -6.430  -4.218
  234    HG2  LYS  31           HG2      LYS  31   4.926  -7.352  -1.979
  235    HG3  LYS  31           HG3      LYS  31   3.481  -6.412  -1.611
  236    HD2  LYS  31           HD2      LYS  31   3.660  -8.516  -3.764
  237    HD3  LYS  31           HD3      LYS  31   3.014  -8.781  -2.143
  238    HE2  LYS  31           HE2      LYS  31   1.249  -7.184  -2.539
  239    HE3  LYS  31           HE3      LYS  31   1.936  -6.752  -4.101
  240    HZ1  LYS  31           HZ1      LYS  31   1.431  -8.902  -4.950
  241    HZ2  LYS  31           HZ2      LYS  31   0.026  -8.314  -4.219
  242    HZ3  LYS  31           HZ3      LYS  31   0.965  -9.473  -3.429
  243    H    CYS  32           H        CYS  32   3.417  -2.975  -3.016
  244    HA   CYS  32           HA       CYS  32   3.074  -2.834  -0.126
  245    HB2  CYS  32           HB2      CYS  32   2.233  -1.061  -2.422
  246    HB3  CYS  32           HB3      CYS  32   1.463  -0.907  -0.838
  247    H    ASP  33           H        ASP  33   2.053  -4.811   0.244
  248    HA   ASP  33           HA       ASP  33  -0.503  -5.339  -1.033
  249    HB2  ASP  33           HB2      ASP  33   0.981  -7.203  -0.461
  250    HB3  ASP  33           HB3      ASP  33   0.911  -6.739   1.237
  251    H    CYS  34           H        CYS  34  -2.492  -5.046  -0.104
  252    HA   CYS  34           HA       CYS  34  -2.540  -3.595   2.452
  253    HB2  CYS  34           HB2      CYS  34  -4.173  -2.668   0.119
  254    HB3  CYS  34           HB3      CYS  34  -3.670  -1.769   1.545
  255    H    THR  35           H        THR  35  -4.950  -3.123   3.017
  256    HA   THR  35           HA       THR  35  -6.606  -5.418   2.231
  257    HB   THR  35           HB       THR  35  -6.837  -3.730   4.732
  258    HG1  THR  35           HG1      THR  35  -5.818  -6.368   4.319
  259   HG21  THR  35          HG21      THR  35  -8.949  -4.746   3.796
  260   HG22  THR  35          HG22      THR  35  -8.530  -5.243   5.441
  261   HG23  THR  35          HG23      THR  35  -8.216  -6.328   4.087
  262    HA   PRO  36           HA       PRO  36  -8.965  -2.230   0.252
  263    HB2  PRO  36           HB2      PRO  36 -10.671  -3.798  -1.053
  264    HB3  PRO  36           HB3      PRO  36  -8.951  -3.837  -1.443
  265    HG2  PRO  36           HG2      PRO  36 -10.556  -5.727   0.229
  266    HG3  PRO  36           HG3      PRO  36  -9.320  -6.083  -0.990
  267    HD2  PRO  36           HD2      PRO  36  -8.869  -6.012   1.738
  268    HD3  PRO  36           HD3      PRO  36  -7.615  -5.808   0.502
  269    H    LYS  37           H        LYS  37 -11.636  -2.429  -0.263
  270    HA   LYS  37           HA       LYS  37 -12.773  -2.045   2.383
  271    HB2  LYS  37           HB2      LYS  37 -14.707  -1.040   1.232
  272    HB3  LYS  37           HB3      LYS  37 -13.199  -0.253   0.806
  273    HG2  LYS  37           HG2      LYS  37 -14.262  -2.396  -0.974
  274    HG3  LYS  37           HG3      LYS  37 -15.003  -0.797  -1.009
  275    HD2  LYS  37           HD2      LYS  37 -12.763   0.177  -1.432
  276    HD3  LYS  37           HD3      LYS  37 -12.104  -1.457  -1.519
  277    HE2  LYS  37           HE2      LYS  37 -13.554  -1.954  -3.410
  278    HE3  LYS  37           HE3      LYS  37 -14.266  -0.344  -3.304
  279    HZ1  LYS  37           HZ1      LYS  37 -12.102   0.607  -3.794
  280    HZ2  LYS  37           HZ2      LYS  37 -12.578  -0.451  -5.025
  281    HZ3  LYS  37           HZ3      LYS  37 -11.417  -0.937  -3.893
  Start of MODEL    2
    1    H1   VAL   1           H1       VAL   1  -5.119  -9.131  -2.522
    2    H2   VAL   1           H2       VAL   1  -5.281  -9.184  -4.202
    3    H3   VAL   1           H3       VAL   1  -6.569  -8.647  -3.249
    4    HA   VAL   1           HA       VAL   1  -5.452  -6.807  -4.321
    5    HB   VAL   1           HB       VAL   1  -4.831  -5.504  -2.232
    6   HG11  VAL   1          HG11      VAL   1  -7.097  -5.421  -1.388
    7   HG12  VAL   1          HG12      VAL   1  -7.470  -6.949  -2.183
    8   HG13  VAL   1          HG13      VAL   1  -7.099  -5.520  -3.148
    9   HG21  VAL   1          HG21      VAL   1  -4.006  -7.310  -0.862
   10   HG22  VAL   1          HG22      VAL   1  -5.577  -8.104  -0.910
   11   HG23  VAL   1          HG23      VAL   1  -5.394  -6.561  -0.078
   12    H    GLY   2           H        GLY   2  -3.467  -5.269  -3.542
   13    HA2  GLY   2           HA2      GLY   2  -1.121  -5.331  -2.873
   14    HA3  GLY   2           HA3      GLY   2  -1.036  -6.934  -3.580
   15    H    ILE   3           H        ILE   3  -0.439  -3.681  -4.082
   16    HA   ILE   3           HA       ILE   3  -0.667  -3.880  -7.001
   17    HB   ILE   3           HB       ILE   3  -0.698  -1.576  -7.119
   18   HG12  ILE   3          HG12      ILE   3   0.797  -1.533  -4.493
   19   HG13  ILE   3          HG13      ILE   3   1.438  -1.134  -6.076
   20   HG21  ILE   3          HG21      ILE   3  -2.119  -0.707  -5.305
   21   HG22  ILE   3          HG22      ILE   3  -1.771  -2.155  -4.360
   22   HG23  ILE   3          HG23      ILE   3  -2.652  -2.285  -5.883
   23   HD11  ILE   3          HD11      ILE   3  -0.480   0.421  -4.401
   24   HD12  ILE   3          HD12      ILE   3  -0.249   0.755  -6.114
   25   HD13  ILE   3          HD13      ILE   3   1.105   0.908  -4.992
   26    H    ASN   4           H        ASN   4   1.193  -2.577  -8.115
   27    HA   ASN   4           HA       ASN   4   3.729  -3.707  -7.149
   28    HB2  ASN   4           HB2      ASN   4   3.133  -4.466  -9.387
   29    HB3  ASN   4           HB3      ASN   4   2.914  -2.805  -9.924
   30   HD21  ASN   4          HD21      ASN   4   5.247  -5.207  -8.934
   31   HD22  ASN   4          HD22      ASN   4   6.629  -4.427  -9.621
   32    H    VAL   5           H        VAL   5   4.913  -2.300  -6.064
   33    HA   VAL   5           HA       VAL   5   5.297   0.403  -6.996
   34    HB   VAL   5           HB       VAL   5   3.069   0.240  -5.668
   35   HG11  VAL   5          HG11      VAL   5   3.274   0.466  -3.272
   36   HG12  VAL   5          HG12      VAL   5   5.014   0.247  -3.378
   37   HG13  VAL   5          HG13      VAL   5   3.927  -1.072  -3.818
   38   HG21  VAL   5          HG21      VAL   5   3.339   2.471  -4.781
   39   HG22  VAL   5          HG22      VAL   5   4.135   2.344  -6.348
   40   HG23  VAL   5          HG23      VAL   5   5.089   2.326  -4.869
   41    H    ASP   6           H        ASP   6   6.455   1.557  -4.868
   42    HA   ASP   6           HA       ASP   6   8.511  -0.364  -4.017
   43    HB2  ASP   6           HB2      ASP   6   9.049   2.445  -4.956
   44    HB3  ASP   6           HB3      ASP   6  10.233   1.307  -4.337
   45    H    CYS   7           H        CYS   7   7.918  -0.502  -1.970
   46    HA   CYS   7           HA       CYS   7   7.546   1.923  -0.387
   47    HB2  CYS   7           HB2      CYS   7   7.002   0.282   1.470
   48    HB3  CYS   7           HB3      CYS   7   5.870   0.352   0.138
   49    H    LYS   8           H        LYS   8   9.085   2.717   0.894
   50    HA   LYS   8           HA       LYS   8  11.387   1.077   1.569
   51    HB2  LYS   8           HB2      LYS   8  10.696   3.864   2.526
   52    HB3  LYS   8           HB3      LYS   8  12.255   3.060   2.661
   53    HG2  LYS   8           HG2      LYS   8  10.902   3.880   0.105
   54    HG3  LYS   8           HG3      LYS   8  12.273   4.693   0.865
   55    HD2  LYS   8           HD2      LYS   8  13.614   2.646   0.586
   56    HD3  LYS   8           HD3      LYS   8  12.245   1.870  -0.209
   57    HE2  LYS   8           HE2      LYS   8  12.309   3.603  -1.954
   58    HE3  LYS   8           HE3      LYS   8  13.715   4.321  -1.172
   59    HZ1  LYS   8           HZ1      LYS   8  14.406   2.926  -2.987
   60    HZ2  LYS   8           HZ2      LYS   8  13.559   1.604  -2.362
   61    HZ3  LYS   8           HZ3      LYS   8  14.900   2.216  -1.533
   62    H    HIS   9           H        HIS   9   8.298   1.803   2.671
   63    HA   HIS   9           HA       HIS   9   8.413  -0.115   4.727
   64    HB2  HIS   9           HB2      HIS   9   7.674   1.533   6.592
   65    HB3  HIS   9           HB3      HIS   9   9.390   1.348   6.257
   66    HD1  HIS   9           HD1      HIS   9  10.630   3.361   5.317
   67    HD2  HIS   9           HD2      HIS   9   6.574   4.036   5.908
   68    HE1  HIS   9           HE1      HIS   9  10.300   5.814   4.964
   69    HE2  HIS   9           HE2      HIS   9   7.905   6.240   5.627
   70    H    SER  10           H        SER  10   6.291  -0.312   5.877
   71    HA   SER  10           HA       SER  10   4.240  -0.391   3.980
   72    HB2  SER  10           HB2      SER  10   2.787  -0.936   5.946
   73    HB3  SER  10           HB3      SER  10   4.262  -1.896   5.854
   74    HG   SER  10           HG       SER  10   3.502  -0.665   7.931
   75    H    GLY  11           H        GLY  11   4.900   1.988   6.517
   76    HA2  GLY  11           HA2      GLY  11   2.507   3.335   6.633
   77    HA3  GLY  11           HA3      GLY  11   4.067   4.087   6.902
   78    H    GLN  12           H        GLN  12   5.090   3.858   4.258
   79    HA   GLN  12           HA       GLN  12   3.687   6.123   3.120
   80    HB2  GLN  12           HB2      GLN  12   5.538   6.195   1.501
   81    HB3  GLN  12           HB3      GLN  12   6.113   6.174   3.162
   82    HG2  GLN  12           HG2      GLN  12   6.786   3.926   3.008
   83    HG3  GLN  12           HG3      GLN  12   5.903   3.689   1.504
   84   HE21  GLN  12          HE21      GLN  12   8.688   5.244   2.946
   85   HE22  GLN  12          HE22      GLN  12   9.573   5.449   1.476
   86    H    CYS  13           H        CYS  13   3.254   2.882   2.892
   87    HA   CYS  13           HA       CYS  13   2.835   2.721   0.031
   88    HB2  CYS  13           HB2      CYS  13   3.459   0.847   1.901
   89    HB3  CYS  13           HB3      CYS  13   1.724   0.597   1.755
   90    H    LEU  14           H        LEU  14   1.133   3.833   2.668
   91    HA   LEU  14           HA       LEU  14  -1.503   3.023   2.122
   92    HB2  LEU  14           HB2      LEU  14  -0.223   5.204   3.688
   93    HB3  LEU  14           HB3      LEU  14  -1.931   5.313   3.371
   94    HG   LEU  14           HG       LEU  14  -2.304   3.173   4.504
   95   HD11  LEU  14          HD11      LEU  14   0.668   3.267   4.890
   96   HD12  LEU  14          HD12      LEU  14  -0.261   2.027   4.051
   97   HD13  LEU  14          HD13      LEU  14  -0.404   2.207   5.801
   98   HD21  LEU  14          HD21      LEU  14  -0.674   5.134   6.104
   99   HD22  LEU  14          HD22      LEU  14  -1.761   3.915   6.772
  100   HD23  LEU  14          HD23      LEU  14  -2.406   5.235   5.796
  101    H    LYS  15           H        LYS  15   0.352   5.842   1.076
  102    HA   LYS  15           HA       LYS  15  -1.686   7.305  -0.087
  103    HB2  LYS  15           HB2      LYS  15   0.269   8.485   0.204
  104    HB3  LYS  15           HB3      LYS  15   1.278   7.185  -0.410
  105    HG2  LYS  15           HG2      LYS  15   1.371   8.928  -1.989
  106    HG3  LYS  15           HG3      LYS  15   0.350   7.661  -2.666
  107    HD2  LYS  15           HD2      LYS  15  -1.646   8.927  -1.964
  108    HD3  LYS  15           HD3      LYS  15  -0.595  10.209  -1.359
  109    HE2  LYS  15           HE2      LYS  15  -0.940   9.296  -4.203
  110    HE3  LYS  15           HE3      LYS  15  -1.351  10.865  -3.519
  111    HZ1  LYS  15           HZ1      LYS  15   1.043  11.205  -3.091
  112    HZ2  LYS  15           HZ2      LYS  15   0.683  11.052  -4.735
  113    HZ3  LYS  15           HZ3      LYS  15   1.378   9.757  -3.902
  114    HA   PRO  16           HA       PRO  16  -0.866   5.333  -4.363
  115    HB2  PRO  16           HB2      PRO  16   0.636   3.097  -4.577
  116    HB3  PRO  16           HB3      PRO  16   1.339   4.718  -4.657
  117    HG2  PRO  16           HG2      PRO  16   1.220   2.802  -2.362
  118    HG3  PRO  16           HG3      PRO  16   2.575   3.813  -2.905
  119    HD2  PRO  16           HD2      PRO  16   0.990   4.498  -0.809
  120    HD3  PRO  16           HD3      PRO  16   1.747   5.703  -1.869
  121    H    CYS  17           H        CYS  17  -1.142   3.284  -1.591
  122    HA   CYS  17           HA       CYS  17  -2.609   1.178  -2.806
  123    HB2  CYS  17           HB2      CYS  17  -1.469   0.881  -0.664
  124    HB3  CYS  17           HB3      CYS  17  -2.502   2.102   0.073
  125    H    LYS  18           H        LYS  18  -3.432   4.174  -1.193
  126    HA   LYS  18           HA       LYS  18  -6.248   3.773  -1.235
  127    HB2  LYS  18           HB2      LYS  18  -5.202   5.301   0.352
  128    HB3  LYS  18           HB3      LYS  18  -4.584   6.284  -0.970
  129    HG2  LYS  18           HG2      LYS  18  -6.517   7.351  -0.016
  130    HG3  LYS  18           HG3      LYS  18  -6.914   6.771  -1.635
  131    HD2  LYS  18           HD2      LYS  18  -7.924   4.755  -0.613
  132    HD3  LYS  18           HD3      LYS  18  -7.629   5.454   0.978
  133    HE2  LYS  18           HE2      LYS  18  -9.054   7.344   0.438
  134    HE3  LYS  18           HE3      LYS  18  -9.311   6.709  -1.186
  135    HZ1  LYS  18           HZ1      LYS  18 -11.161   6.202   0.282
  136    HZ2  LYS  18           HZ2      LYS  18 -10.131   5.378   1.335
  137    HZ3  LYS  18           HZ3      LYS  18 -10.396   4.781  -0.224
  138    H    LYS  19           H        LYS  19  -3.878   5.265  -3.326
  139    HA   LYS  19           HA       LYS  19  -5.602   6.405  -5.226
  140    HB2  LYS  19           HB2      LYS  19  -3.191   6.882  -5.102
  141    HB3  LYS  19           HB3      LYS  19  -2.830   5.231  -5.571
  142    HG2  LYS  19           HG2      LYS  19  -4.436   6.989  -7.377
  143    HG3  LYS  19           HG3      LYS  19  -2.679   7.127  -7.320
  144    HD2  LYS  19           HD2      LYS  19  -2.514   4.709  -7.831
  145    HD3  LYS  19           HD3      LYS  19  -4.269   4.646  -7.977
  146    HE2  LYS  19           HE2      LYS  19  -2.399   6.305  -9.661
  147    HE3  LYS  19           HE3      LYS  19  -3.207   4.821 -10.162
  148    HZ1  LYS  19           HZ1      LYS  19  -4.505   7.398  -9.473
  149    HZ2  LYS  19           HZ2      LYS  19  -5.344   5.967  -9.791
  150    HZ3  LYS  19           HZ3      LYS  19  -4.410   6.684 -11.003
  151    H    ALA  20           H        ALA  20  -4.316   3.159  -4.820
  152    HA   ALA  20           HA       ALA  20  -5.326   2.087  -7.239
  153    HB1  ALA  20           HB1      ALA  20  -3.519   1.047  -5.918
  154    HB2  ALA  20           HB2      ALA  20  -4.828  -0.074  -6.285
  155    HB3  ALA  20           HB3      ALA  20  -4.697   0.633  -4.674
  156    H    GLY  21           H        GLY  21  -6.567   2.123  -3.903
  157    HA2  GLY  21           HA2      GLY  21  -9.086   2.733  -4.152
  158    HA3  GLY  21           HA3      GLY  21  -9.147   1.167  -4.935
  159    H    MET  22           H        MET  22  -6.881   1.149  -2.420
  160    HA   MET  22           HA       MET  22  -8.877  -0.164  -0.711
  161    HB2  MET  22           HB2      MET  22  -5.931  -0.671  -1.037
  162    HB3  MET  22           HB3      MET  22  -6.834  -1.275   0.346
  163    HG2  MET  22           HG2      MET  22  -6.786  -3.046  -1.175
  164    HG3  MET  22           HG3      MET  22  -8.397  -2.347  -1.311
  165    HE1  MET  22           HE1      MET  22  -4.851  -2.636  -2.926
  166    HE2  MET  22           HE2      MET  22  -5.044  -0.884  -2.846
  167    HE3  MET  22           HE3      MET  22  -5.037  -1.700  -4.409
  168    H    ARG  23           H        ARG  23  -7.598  -0.286   1.700
  169    HA   ARG  23           HA       ARG  23  -7.869   2.531   2.431
  170    HB2  ARG  23           HB2      ARG  23  -7.925   0.029   4.122
  171    HB3  ARG  23           HB3      ARG  23  -8.108   1.657   4.759
  172    HG2  ARG  23           HG2      ARG  23 -10.059   1.863   3.098
  173    HG3  ARG  23           HG3      ARG  23  -9.961   0.106   2.996
  174    HD2  ARG  23           HD2      ARG  23 -10.252   1.604   5.588
  175    HD3  ARG  23           HD3      ARG  23 -11.621   1.012   4.653
  176    HE   ARG  23           HE       ARG  23  -9.942  -1.155   5.045
  177   HH11  ARG  23          HH11      ARG  23 -11.789   1.067   7.025
  178   HH12  ARG  23          HH12      ARG  23 -12.073  -0.095   8.283
  179   HH21  ARG  23          HH21      ARG  23 -10.310  -2.685   6.703
  180   HH22  ARG  23          HH22      ARG  23 -11.227  -2.224   8.104
  181    H    PHE  24           H        PHE  24  -5.765  -0.175   3.397
  182    HA   PHE  24           HA       PHE  24  -3.584   1.764   3.751
  183    HB2  PHE  24           HB2      PHE  24  -3.222  -0.356   5.611
  184    HB3  PHE  24           HB3      PHE  24  -3.451   1.356   5.950
  185    HD1  PHE  24           HD1      PHE  24  -5.400  -1.638   5.016
  186    HD2  PHE  24           HD2      PHE  24  -5.245   1.916   7.321
  187    HE1  PHE  24           HE1      PHE  24  -7.544  -2.231   6.034
  188    HE2  PHE  24           HE2      PHE  24  -7.400   1.338   8.361
  189    HZ   PHE  24           HZ       PHE  24  -8.555  -0.741   7.723
  190    H    GLY  25           H        GLY  25  -1.440   0.724   3.824
  191    HA2  GLY  25           HA2      GLY  25  -1.374  -1.699   2.157
  192    HA3  GLY  25           HA3      GLY  25  -0.449  -0.276   1.711
  193    H    LYS  26           H        LYS  26   0.163  -3.141   2.593
  194    HA   LYS  26           HA       LYS  26   2.146  -2.510   4.656
  195    HB2  LYS  26           HB2      LYS  26   1.026  -5.100   3.607
  196    HB3  LYS  26           HB3      LYS  26   2.543  -5.067   4.481
  197    HG2  LYS  26           HG2      LYS  26   0.858  -5.649   6.029
  198    HG3  LYS  26           HG3      LYS  26   1.333  -3.991   6.385
  199    HD2  LYS  26           HD2      LYS  26  -0.646  -3.146   5.282
  200    HD3  LYS  26           HD3      LYS  26  -1.092  -4.776   4.766
  201    HE2  LYS  26           HE2      LYS  26  -1.369  -5.458   7.080
  202    HE3  LYS  26           HE3      LYS  26  -0.847  -3.870   7.633
  203    HZ1  LYS  26           HZ1      LYS  26  -3.257  -4.111   7.678
  204    HZ2  LYS  26           HZ2      LYS  26  -3.281  -4.401   6.011
  205    HZ3  LYS  26           HZ3      LYS  26  -2.783  -2.894   6.606
  206    H    CYS  27           H        CYS  27   4.296  -3.729   4.229
  207    HA   CYS  27           HA       CYS  27   5.071  -2.991   1.491
  208    HB2  CYS  27           HB2      CYS  27   6.100  -1.692   3.364
  209    HB3  CYS  27           HB3      CYS  27   6.856  -3.181   3.918
  210    H    ILE  28           H        ILE  28   5.111  -4.749   0.260
  211    HA   ILE  28           HA       ILE  28   6.410  -7.157   1.278
  212    HB   ILE  28           HB       ILE  28   4.326  -6.590  -0.790
  213   HG12  ILE  28          HG12      ILE  28   4.712  -8.476   1.474
  214   HG13  ILE  28          HG13      ILE  28   3.478  -7.248   1.270
  215   HG21  ILE  28          HG21      ILE  28   5.813  -7.790  -2.159
  216   HG22  ILE  28          HG22      ILE  28   4.581  -8.937  -1.646
  217   HG23  ILE  28          HG23      ILE  28   6.175  -8.956  -0.894
  218   HD11  ILE  28          HD11      ILE  28   2.592  -8.614  -0.635
  219   HD12  ILE  28          HD12      ILE  28   2.419  -9.332   0.968
  220   HD13  ILE  28          HD13      ILE  28   3.686  -9.899  -0.121
  221    H    ASN  29           H        ASN  29   7.841  -8.255  -0.392
  222    HA   ASN  29           HA       ASN  29  10.091  -6.836  -0.847
  223    HB2  ASN  29           HB2      ASN  29  10.759  -8.523  -2.507
  224    HB3  ASN  29           HB3      ASN  29  10.002  -9.254  -1.100
  225   HD21  ASN  29          HD21      ASN  29   9.729  -8.605  -4.492
  226   HD22  ASN  29          HD22      ASN  29   8.371  -9.639  -4.783
  227    H    GLY  30           H        GLY  30   7.402  -7.046  -3.147
  228    HA2  GLY  30           HA2      GLY  30   8.370  -4.546  -4.302
  229    HA3  GLY  30           HA3      GLY  30   8.146  -5.904  -5.394
  230    H    LYS  31           H        LYS  31   5.974  -5.742  -2.719
  231    HA   LYS  31           HA       LYS  31   3.896  -4.822  -4.587
  232    HB2  LYS  31           HB2      LYS  31   3.707  -7.128  -2.645
  233    HB3  LYS  31           HB3      LYS  31   2.350  -6.460  -3.535
  234    HG2  LYS  31           HG2      LYS  31   3.374  -7.122  -5.632
  235    HG3  LYS  31           HG3      LYS  31   4.778  -7.746  -4.761
  236    HD2  LYS  31           HD2      LYS  31   3.374  -9.371  -3.623
  237    HD3  LYS  31           HD3      LYS  31   1.945  -8.722  -4.431
  238    HE2  LYS  31           HE2      LYS  31   2.840  -9.388  -6.591
  239    HE3  LYS  31           HE3      LYS  31   4.310  -9.977  -5.819
  240    HZ1  LYS  31           HZ1      LYS  31   2.726 -11.753  -6.333
  241    HZ2  LYS  31           HZ2      LYS  31   1.590 -11.041  -5.304
  242    HZ3  LYS  31           HZ3      LYS  31   3.038 -11.643  -4.676
  243    H    CYS  32           H        CYS  32   2.269  -3.606  -3.722
  244    HA   CYS  32           HA       CYS  32   2.530  -2.868  -0.906
  245    HB2  CYS  32           HB2      CYS  32   1.998  -1.213  -2.885
  246    HB3  CYS  32           HB3      CYS  32   0.363  -1.839  -2.704
  247    H    ASP  33           H        ASP  33   1.917  -4.868  -0.021
  248    HA   ASP  33           HA       ASP  33  -0.544  -6.111  -0.775
  249    HB2  ASP  33           HB2      ASP  33   1.272  -7.435   0.148
  250    HB3  ASP  33           HB3      ASP  33   1.218  -6.529   1.651
  251    H    CYS  34           H        CYS  34  -2.240  -4.894  -0.558
  252    HA   CYS  34           HA       CYS  34  -2.541  -3.035   1.619
  253    HB2  CYS  34           HB2      CYS  34  -4.117  -3.616  -0.872
  254    HB3  CYS  34           HB3      CYS  34  -4.648  -2.449   0.333
  255    H    THR  35           H        THR  35  -4.611  -2.759   2.699
  256    HA   THR  35           HA       THR  35  -6.244  -5.192   2.824
  257    HB   THR  35           HB       THR  35  -5.726  -3.349   5.173
  258    HG1  THR  35           HG1      THR  35  -4.874  -6.026   5.132
  259   HG21  THR  35          HG21      THR  35  -7.941  -4.611   4.913
  260   HG22  THR  35          HG22      THR  35  -7.057  -4.818   6.431
  261   HG23  THR  35          HG23      THR  35  -6.990  -6.075   5.195
  262    HA   PRO  36           HA       PRO  36  -9.056  -1.954   1.632
  263    HB2  PRO  36           HB2      PRO  36 -11.024  -3.542   0.746
  264    HB3  PRO  36           HB3      PRO  36  -9.528  -3.332  -0.152
  265    HG2  PRO  36           HG2      PRO  36 -10.437  -5.626   1.491
  266    HG3  PRO  36           HG3      PRO  36  -9.412  -5.608   0.049
  267    HD2  PRO  36           HD2      PRO  36  -8.546  -5.802   2.718
  268    HD3  PRO  36           HD3      PRO  36  -7.532  -5.492   1.302
  269    H    LYS  37           H        LYS  37 -11.807  -2.382   1.857
  270    HA   LYS  37           HA       LYS  37 -12.133  -1.892   4.666
  271    HB2  LYS  37           HB2      LYS  37 -14.431  -1.281   4.165
  272    HB3  LYS  37           HB3      LYS  37 -13.329  -0.476   3.065
  273    HG2  LYS  37           HG2      LYS  37 -14.821  -2.977   2.317
  274    HG3  LYS  37           HG3      LYS  37 -15.488  -1.362   2.090
  275    HD2  LYS  37           HD2      LYS  37 -13.452  -0.815   0.733
  276    HD3  LYS  37           HD3      LYS  37 -13.008  -2.519   0.828
  277    HE2  LYS  37           HE2      LYS  37 -15.169  -3.104  -0.209
  278    HE3  LYS  37           HE3      LYS  37 -15.524  -1.388  -0.382
  279    HZ1  LYS  37           HZ1      LYS  37 -14.660  -2.258  -2.431
  280    HZ2  LYS  37           HZ2      LYS  37 -13.283  -2.856  -1.657
  281    HZ3  LYS  37           HZ3      LYS  37 -13.528  -1.188  -1.770
  Start of MODEL    3
    1    H1   VAL   1           H1       VAL   1  -5.292  -9.213  -3.005
    2    H2   VAL   1           H2       VAL   1  -5.354  -9.065  -4.686
    3    H3   VAL   1           H3       VAL   1  -6.693  -8.628  -3.752
    4    HA   VAL   1           HA       VAL   1  -5.504  -6.692  -4.535
    5    HB   VAL   1           HB       VAL   1  -5.049  -5.622  -2.304
    6   HG11  VAL   1          HG11      VAL   1  -7.329  -5.600  -1.622
    7   HG12  VAL   1          HG12      VAL   1  -7.638  -7.152  -2.397
    8   HG13  VAL   1          HG13      VAL   1  -7.297  -5.727  -3.380
    9   HG21  VAL   1          HG21      VAL   1  -4.209  -7.534  -1.096
   10   HG22  VAL   1          HG22      VAL   1  -5.746  -8.373  -1.286
   11   HG23  VAL   1          HG23      VAL   1  -5.652  -6.918  -0.294
   12    H    GLY   2           H        GLY   2  -3.555  -5.281  -3.457
   13    HA2  GLY   2           HA2      GLY   2  -1.234  -5.337  -2.850
   14    HA3  GLY   2           HA3      GLY   2  -1.135  -6.950  -3.536
   15    H    ILE   3           H        ILE   3  -0.638  -3.663  -4.075
   16    HA   ILE   3           HA       ILE   3  -0.891  -3.848  -6.980
   17    HB   ILE   3           HB       ILE   3  -0.849  -1.532  -7.059
   18   HG12  ILE   3          HG12      ILE   3   0.651  -1.581  -4.432
   19   HG13  ILE   3          HG13      ILE   3   1.306  -1.173  -6.008
   20   HG21  ILE   3          HG21      ILE   3  -2.260  -0.691  -5.234
   21   HG22  ILE   3          HG22      ILE   3  -1.902  -2.142  -4.298
   22   HG23  ILE   3          HG23      ILE   3  -2.801  -2.266  -5.811
   23   HD11  ILE   3          HD11      ILE   3  -0.514   0.415  -4.264
   24   HD12  ILE   3          HD12      ILE   3  -0.392   0.746  -5.989
   25   HD13  ILE   3          HD13      ILE   3   1.035   0.874  -4.961
   26    H    ASN   4           H        ASN   4   0.963  -2.501  -8.110
   27    HA   ASN   4           HA       ASN   4   3.511  -3.694  -7.254
   28    HB2  ASN   4           HB2      ASN   4   2.817  -4.312  -9.535
   29    HB3  ASN   4           HB3      ASN   4   2.710  -2.608  -9.967
   30   HD21  ASN   4          HD21      ASN   4   4.852  -5.232  -9.184
   31   HD22  ASN   4          HD22      ASN   4   6.300  -4.494  -9.778
   32    H    VAL   5           H        VAL   5   4.753  -2.335  -6.149
   33    HA   VAL   5           HA       VAL   5   5.170   0.376  -6.998
   34    HB   VAL   5           HB       VAL   5   2.917   0.243  -5.682
   35   HG11  VAL   5          HG11      VAL   5   3.135   0.468  -3.284
   36   HG12  VAL   5          HG12      VAL   5   4.869   0.197  -3.398
   37   HG13  VAL   5          HG13      VAL   5   3.742  -1.088  -3.835
   38   HG21  VAL   5          HG21      VAL   5   3.223   2.466  -4.803
   39   HG22  VAL   5          HG22      VAL   5   4.051   2.328  -6.354
   40   HG23  VAL   5          HG23      VAL   5   4.973   2.283  -4.853
   41    H    ASP   6           H        ASP   6   6.356   1.492  -4.919
   42    HA   ASP   6           HA       ASP   6   8.227  -0.508  -3.862
   43    HB2  ASP   6           HB2      ASP   6   8.995   2.167  -5.025
   44    HB3  ASP   6           HB3      ASP   6  10.085   1.086  -4.173
   45    H    CYS   7           H        CYS   7   7.869  -0.496  -1.801
   46    HA   CYS   7           HA       CYS   7   7.109   1.947  -0.418
   47    HB2  CYS   7           HB2      CYS   7   7.001   0.247   1.555
   48    HB3  CYS   7           HB3      CYS   7   5.748   0.229   0.329
   49    H    LYS   8           H        LYS   8   8.435   3.079   0.840
   50    HA   LYS   8           HA       LYS   8  11.084   2.104   1.461
   51    HB2  LYS   8           HB2      LYS   8   9.667   4.554   2.543
   52    HB3  LYS   8           HB3      LYS   8  11.395   4.230   2.590
   53    HG2  LYS   8           HG2      LYS   8  11.465   4.339   0.134
   54    HG3  LYS   8           HG3      LYS   8   9.743   4.718   0.120
   55    HD2  LYS   8           HD2      LYS   8  10.912   6.778  -0.098
   56    HD3  LYS   8           HD3      LYS   8  10.274   6.719   1.545
   57    HE2  LYS   8           HE2      LYS   8  12.544   7.552   1.573
   58    HE3  LYS   8           HE3      LYS   8  12.477   5.972   2.350
   59    HZ1  LYS   8           HZ1      LYS   8  13.323   4.972   0.325
   60    HZ2  LYS   8           HZ2      LYS   8  14.380   6.171   0.869
   61    HZ3  LYS   8           HZ3      LYS   8  13.362   6.480  -0.442
   62    H    HIS   9           H        HIS   9   7.936   2.095   2.751
   63    HA   HIS   9           HA       HIS   9   8.451   0.106   4.626
   64    HB2  HIS   9           HB2      HIS   9   7.867   1.398   6.734
   65    HB3  HIS   9           HB3      HIS   9   9.494   1.653   6.114
   66    HD1  HIS   9           HD1      HIS   9  10.007   3.992   5.090
   67    HD2  HIS   9           HD2      HIS   9   6.228   3.629   6.779
   68    HE1  HIS   9           HE1      HIS   9   9.097   6.321   5.211
   69    HE2  HIS   9           HE2      HIS   9   6.902   6.103   6.436
   70    H    SER  10           H        SER  10   6.459  -0.447   5.866
   71    HA   SER  10           HA       SER  10   4.291  -0.558   4.161
   72    HB2  SER  10           HB2      SER  10   3.018  -1.171   6.322
   73    HB3  SER  10           HB3      SER  10   4.390  -2.170   5.850
   74    HG   SER  10           HG       SER  10   4.338  -1.510   8.107
   75    H    GLY  11           H        GLY  11   4.814   1.666   6.863
   76    HA2  GLY  11           HA2      GLY  11   2.335   2.874   6.985
   77    HA3  GLY  11           HA3      GLY  11   3.843   3.660   7.417
   78    H    GLN  12           H        GLN  12   4.924   3.549   4.661
   79    HA   GLN  12           HA       GLN  12   3.432   5.884   3.759
   80    HB2  GLN  12           HB2      GLN  12   5.348   6.362   2.295
   81    HB3  GLN  12           HB3      GLN  12   5.789   6.244   3.987
   82    HG2  GLN  12           HG2      GLN  12   7.512   5.156   2.916
   83    HG3  GLN  12           HG3      GLN  12   6.470   3.833   3.426
   84   HE21  GLN  12          HE21      GLN  12   7.534   5.763   0.720
   85   HE22  GLN  12          HE22      GLN  12   7.034   4.657  -0.515
   86    H    CYS  13           H        CYS  13   3.052   2.752   3.213
   87    HA   CYS  13           HA       CYS  13   2.948   2.793   0.311
   88    HB2  CYS  13           HB2      CYS  13   3.419   0.774   2.038
   89    HB3  CYS  13           HB3      CYS  13   1.686   0.572   1.832
   90    H    LEU  14           H        LEU  14   1.109   3.976   2.702
   91    HA   LEU  14           HA       LEU  14  -1.526   3.252   2.122
   92    HB2  LEU  14           HB2      LEU  14  -0.434   5.857   3.179
   93    HB3  LEU  14           HB3      LEU  14  -2.109   5.368   3.250
   94    HG   LEU  14           HG       LEU  14   0.211   4.095   4.691
   95   HD11  LEU  14          HD11      LEU  14  -0.533   6.173   5.675
   96   HD12  LEU  14          HD12      LEU  14  -0.995   4.812   6.698
   97   HD13  LEU  14          HD13      LEU  14  -2.201   5.602   5.681
   98   HD21  LEU  14          HD21      LEU  14  -1.260   2.331   4.044
   99   HD22  LEU  14          HD22      LEU  14  -2.676   3.254   4.549
  100   HD23  LEU  14          HD23      LEU  14  -1.530   2.670   5.755
  101    H    LYS  15           H        LYS  15   0.321   6.083   1.069
  102    HA   LYS  15           HA       LYS  15  -1.641   7.425  -0.249
  103    HB2  LYS  15           HB2      LYS  15   0.486   8.397   0.363
  104    HB3  LYS  15           HB3      LYS  15   1.323   7.358  -0.782
  105    HG2  LYS  15           HG2      LYS  15   1.152   9.481  -1.783
  106    HG3  LYS  15           HG3      LYS  15  -0.011   8.415  -2.567
  107    HD2  LYS  15           HD2      LYS  15  -1.823   9.357  -1.276
  108    HD3  LYS  15           HD3      LYS  15  -0.689  10.354  -0.365
  109    HE2  LYS  15           HE2      LYS  15  -1.789  11.692  -2.050
  110    HE3  LYS  15           HE3      LYS  15  -0.081  11.522  -2.446
  111    HZ1  LYS  15           HZ1      LYS  15  -1.521  11.242  -4.379
  112    HZ2  LYS  15           HZ2      LYS  15  -2.270   9.920  -3.640
  113    HZ3  LYS  15           HZ3      LYS  15  -0.632   9.840  -4.055
  114    HA   PRO  16           HA       PRO  16  -0.387   5.555  -4.488
  115    HB2  PRO  16           HB2      PRO  16   0.982   3.226  -4.592
  116    HB3  PRO  16           HB3      PRO  16   1.790   4.798  -4.520
  117    HG2  PRO  16           HG2      PRO  16   1.216   2.860  -2.306
  118    HG3  PRO  16           HG3      PRO  16   2.723   3.734  -2.661
  119    HD2  PRO  16           HD2      PRO  16   1.007   4.580  -0.759
  120    HD3  PRO  16           HD3      PRO  16   1.935   5.719  -1.754
  121    H    CYS  17           H        CYS  17  -1.044   3.288  -1.882
  122    HA   CYS  17           HA       CYS  17  -2.618   1.565  -3.578
  123    HB2  CYS  17           HB2      CYS  17  -1.234   0.858  -1.533
  124    HB3  CYS  17           HB3      CYS  17  -2.558   1.507  -0.567
  125    H    LYS  18           H        LYS  18  -3.105   4.308  -1.546
  126    HA   LYS  18           HA       LYS  18  -5.893   4.137  -1.153
  127    HB2  LYS  18           HB2      LYS  18  -4.252   5.693  -0.034
  128    HB3  LYS  18           HB3      LYS  18  -4.211   6.619  -1.525
  129    HG2  LYS  18           HG2      LYS  18  -6.554   7.154  -1.295
  130    HG3  LYS  18           HG3      LYS  18  -6.658   6.150   0.157
  131    HD2  LYS  18           HD2      LYS  18  -4.903   7.573   1.185
  132    HD3  LYS  18           HD3      LYS  18  -4.998   8.634  -0.220
  133    HE2  LYS  18           HE2      LYS  18  -7.265   8.004   1.665
  134    HE3  LYS  18           HE3      LYS  18  -6.322   9.493   1.652
  135    HZ1  LYS  18           HZ1      LYS  18  -8.084   8.499  -0.522
  136    HZ2  LYS  18           HZ2      LYS  18  -7.109   9.876  -0.631
  137    HZ3  LYS  18           HZ3      LYS  18  -8.375   9.825   0.487
  138    H    LYS  19           H        LYS  19  -3.860   5.463  -3.695
  139    HA   LYS  19           HA       LYS  19  -5.854   6.388  -5.440
  140    HB2  LYS  19           HB2      LYS  19  -3.543   6.958  -5.817
  141    HB3  LYS  19           HB3      LYS  19  -3.096   5.265  -5.952
  142    HG2  LYS  19           HG2      LYS  19  -4.570   5.159  -7.989
  143    HG3  LYS  19           HG3      LYS  19  -4.687   6.917  -7.893
  144    HD2  LYS  19           HD2      LYS  19  -2.942   6.216  -9.461
  145    HD3  LYS  19           HD3      LYS  19  -2.265   7.101  -8.093
  146    HE2  LYS  19           HE2      LYS  19  -1.491   5.083  -7.079
  147    HE3  LYS  19           HE3      LYS  19  -2.373   4.093  -8.240
  148    HZ1  LYS  19           HZ1      LYS  19  -0.928   4.841  -9.978
  149    HZ2  LYS  19           HZ2      LYS  19   0.018   4.247  -8.708
  150    HZ3  LYS  19           HZ3      LYS  19  -0.135   5.913  -8.936
  151    H    ALA  20           H        ALA  20  -4.325   3.233  -5.039
  152    HA   ALA  20           HA       ALA  20  -5.438   1.948  -7.265
  153    HB1  ALA  20           HB1      ALA  20  -3.527   1.106  -5.899
  154    HB2  ALA  20           HB2      ALA  20  -4.760  -0.109  -6.243
  155    HB3  ALA  20           HB3      ALA  20  -4.686   0.649  -4.651
  156    H    GLY  21           H        GLY  21  -6.574   2.262  -3.937
  157    HA2  GLY  21           HA2      GLY  21  -9.072   2.687  -3.941
  158    HA3  GLY  21           HA3      GLY  21  -9.167   1.173  -4.823
  159    H    MET  22           H        MET  22  -6.757   1.303  -2.399
  160    HA   MET  22           HA       MET  22  -8.510  -0.310  -0.673
  161    HB2  MET  22           HB2      MET  22  -5.509  -0.394  -0.987
  162    HB3  MET  22           HB3      MET  22  -6.390  -1.273   0.257
  163    HG2  MET  22           HG2      MET  22  -6.022  -2.835  -1.436
  164    HG3  MET  22           HG3      MET  22  -7.700  -2.337  -1.634
  165    HE1  MET  22           HE1      MET  22  -6.314  -3.890  -3.950
  166    HE2  MET  22           HE2      MET  22  -6.768  -2.909  -5.344
  167    HE3  MET  22           HE3      MET  22  -7.938  -3.212  -4.061
  168    H    ARG  23           H        ARG  23  -7.315  -0.318   1.702
  169    HA   ARG  23           HA       ARG  23  -7.543   2.519   2.439
  170    HB2  ARG  23           HB2      ARG  23  -8.087   0.003   4.012
  171    HB3  ARG  23           HB3      ARG  23  -8.112   1.607   4.727
  172    HG2  ARG  23           HG2      ARG  23  -9.815   2.182   2.898
  173    HG3  ARG  23           HG3      ARG  23  -9.940   0.437   2.670
  174    HD2  ARG  23           HD2      ARG  23 -10.315   1.762   5.337
  175    HD3  ARG  23           HD3      ARG  23 -11.640   1.495   4.210
  176    HE   ARG  23           HE       ARG  23 -10.307  -0.934   4.602
  177   HH11  ARG  23          HH11      ARG  23 -12.284   1.345   6.370
  178   HH12  ARG  23          HH12      ARG  23 -12.966   0.140   7.415
  179   HH21  ARG  23          HH21      ARG  23 -11.199  -2.526   5.962
  180   HH22  ARG  23          HH22      ARG  23 -12.342  -2.074   7.185
  181    H    PHE  24           H        PHE  24  -5.877  -0.360   3.711
  182    HA   PHE  24           HA       PHE  24  -3.618   1.390   4.443
  183    HB2  PHE  24           HB2      PHE  24  -3.616  -1.115   5.874
  184    HB3  PHE  24           HB3      PHE  24  -3.640   0.525   6.515
  185    HD1  PHE  24           HD1      PHE  24  -5.830  -2.057   5.048
  186    HD2  PHE  24           HD2      PHE  24  -5.541   1.279   7.648
  187    HE1  PHE  24           HE1      PHE  24  -8.149  -2.419   5.737
  188    HE2  PHE  24           HE2      PHE  24  -7.872   0.927   8.362
  189    HZ   PHE  24           HZ       PHE  24  -9.183  -0.927   7.408
  190    H    GLY  25           H        GLY  25  -1.499   0.308   4.422
  191    HA2  GLY  25           HA2      GLY  25  -1.379  -1.846   2.421
  192    HA3  GLY  25           HA3      GLY  25  -0.513  -0.346   2.125
  193    H    LYS  26           H        LYS  26   0.336  -3.211   2.557
  194    HA   LYS  26           HA       LYS  26   2.288  -2.682   4.693
  195    HB2  LYS  26           HB2      LYS  26   1.343  -5.283   3.487
  196    HB3  LYS  26           HB3      LYS  26   2.735  -5.164   4.551
  197    HG2  LYS  26           HG2      LYS  26   1.216  -4.179   6.274
  198    HG3  LYS  26           HG3      LYS  26  -0.137  -4.595   5.218
  199    HD2  LYS  26           HD2      LYS  26   0.665  -6.957   5.246
  200    HD3  LYS  26           HD3      LYS  26   1.873  -6.486   6.440
  201    HE2  LYS  26           HE2      LYS  26   0.032  -7.436   7.615
  202    HE3  LYS  26           HE3      LYS  26   0.002  -5.696   7.897
  203    HZ1  LYS  26           HZ1      LYS  26  -2.201  -6.589   7.422
  204    HZ2  LYS  26           HZ2      LYS  26  -1.671  -7.134   5.910
  205    HZ3  LYS  26           HZ3      LYS  26  -1.725  -5.477   6.241
  206    H    CYS  27           H        CYS  27   4.447  -3.723   4.251
  207    HA   CYS  27           HA       CYS  27   5.211  -3.071   1.484
  208    HB2  CYS  27           HB2      CYS  27   6.192  -1.652   3.300
  209    HB3  CYS  27           HB3      CYS  27   6.983  -3.090   3.935
  210    H    ILE  28           H        ILE  28   5.466  -4.852   0.284
  211    HA   ILE  28           HA       ILE  28   6.786  -7.157   1.544
  212    HB   ILE  28           HB       ILE  28   4.607  -7.076  -0.566
  213   HG12  ILE  28          HG12      ILE  28   4.749  -7.981   2.293
  214   HG13  ILE  28          HG13      ILE  28   3.656  -6.814   1.564
  215   HG21  ILE  28          HG21      ILE  28   4.647  -9.505  -0.584
  216   HG22  ILE  28          HG22      ILE  28   6.062  -9.505   0.472
  217   HG23  ILE  28          HG23      ILE  28   6.178  -8.847  -1.162
  218   HD11  ILE  28          HD11      ILE  28   2.572  -8.645   0.331
  219   HD12  ILE  28          HD12      ILE  28   2.469  -8.835   2.081
  220   HD13  ILE  28          HD13      ILE  28   3.626  -9.793   1.156
  221    H    ASN  29           H        ASN  29   7.731  -8.543  -0.533
  222    HA   ASN  29           HA       ASN  29  10.100  -7.418  -1.025
  223    HB2  ASN  29           HB2      ASN  29  10.446  -8.953  -2.897
  224    HB3  ASN  29           HB3      ASN  29   9.628  -9.746  -1.558
  225   HD21  ASN  29          HD21      ASN  29   7.524 -10.444  -1.817
  226   HD22  ASN  29          HD22      ASN  29   6.736 -10.490  -3.353
  227    H    GLY  30           H        GLY  30   7.382  -7.035  -3.295
  228    HA2  GLY  30           HA2      GLY  30   8.474  -4.431  -3.971
  229    HA3  GLY  30           HA3      GLY  30   8.384  -5.579  -5.300
  230    H    LYS  31           H        LYS  31   5.976  -5.828  -2.833
  231    HA   LYS  31           HA       LYS  31   4.086  -4.559  -4.692
  232    HB2  LYS  31           HB2      LYS  31   2.510  -6.348  -4.334
  233    HB3  LYS  31           HB3      LYS  31   4.040  -7.019  -4.882
  234    HG2  LYS  31           HG2      LYS  31   4.586  -7.515  -2.504
  235    HG3  LYS  31           HG3      LYS  31   2.939  -7.040  -2.091
  236    HD2  LYS  31           HD2      LYS  31   3.735  -9.273  -3.956
  237    HD3  LYS  31           HD3      LYS  31   3.148  -9.458  -2.307
  238    HE2  LYS  31           HE2      LYS  31   1.221  -9.841  -3.499
  239    HE3  LYS  31           HE3      LYS  31   1.092  -8.107  -3.212
  240    HZ1  LYS  31           HZ1      LYS  31   2.105  -9.385  -5.695
  241    HZ2  LYS  31           HZ2      LYS  31   1.990  -7.722  -5.430
  242    HZ3  LYS  31           HZ3      LYS  31   0.591  -8.662  -5.504
  243    H    CYS  32           H        CYS  32   2.329  -3.515  -3.766
  244    HA   CYS  32           HA       CYS  32   2.546  -3.006  -0.896
  245    HB2  CYS  32           HB2      CYS  32   2.051  -1.200  -2.759
  246    HB3  CYS  32           HB3      CYS  32   0.412  -1.822  -2.635
  247    H    ASP  33           H        ASP  33   1.852  -5.042  -0.123
  248    HA   ASP  33           HA       ASP  33  -0.720  -6.053  -0.906
  249    HB2  ASP  33           HB2      ASP  33   0.871  -7.675  -0.177
  250    HB3  ASP  33           HB3      ASP  33   1.154  -6.823   1.338
  251    H    CYS  34           H        CYS  34  -2.476  -5.031  -0.400
  252    HA   CYS  34           HA       CYS  34  -2.523  -3.429   2.059
  253    HB2  CYS  34           HB2      CYS  34  -4.148  -3.093  -0.460
  254    HB3  CYS  34           HB3      CYS  34  -4.122  -2.003   0.920
  255    H    THR  35           H        THR  35  -4.731  -3.038   2.937
  256    HA   THR  35           HA       THR  35  -6.579  -5.250   2.378
  257    HB   THR  35           HB       THR  35  -6.283  -3.774   5.006
  258    HG1  THR  35           HG1      THR  35  -4.828  -5.741   4.078
  259   HG21  THR  35          HG21      THR  35  -8.589  -4.587   4.273
  260   HG22  THR  35          HG22      THR  35  -8.005  -5.147   5.845
  261   HG23  THR  35          HG23      THR  35  -7.938  -6.220   4.446
  262    HA   PRO  36           HA       PRO  36  -8.884  -1.693   1.091
  263    HB2  PRO  36           HB2      PRO  36 -10.846  -2.989  -0.172
  264    HB3  PRO  36           HB3      PRO  36  -9.212  -2.945  -0.820
  265    HG2  PRO  36           HG2      PRO  36 -10.625  -5.144   0.599
  266    HG3  PRO  36           HG3      PRO  36  -9.453  -5.227  -0.725
  267    HD2  PRO  36           HD2      PRO  36  -8.895  -5.636   1.982
  268    HD3  PRO  36           HD3      PRO  36  -7.702  -5.327   0.713
  269    H    LYS  37           H        LYS  37 -11.567  -1.671   0.856
  270    HA   LYS  37           HA       LYS  37 -12.409  -1.633   3.637
  271    HB2  LYS  37           HB2      LYS  37 -14.352  -0.288   2.819
  272    HB3  LYS  37           HB3      LYS  37 -12.789   0.459   2.562
  273    HG2  LYS  37           HG2      LYS  37 -14.158  -1.069   0.378
  274    HG3  LYS  37           HG3      LYS  37 -14.549   0.616   0.710
  275    HD2  LYS  37           HD2      LYS  37 -12.098   1.127   0.450
  276    HD3  LYS  37           HD3      LYS  37 -11.886  -0.524  -0.123
  277    HE2  LYS  37           HE2      LYS  37 -13.626   1.593  -1.366
  278    HE3  LYS  37           HE3      LYS  37 -12.099   0.988  -1.999
  279    HZ1  LYS  37           HZ1      LYS  37 -13.150  -1.218  -2.192
  280    HZ2  LYS  37           HZ2      LYS  37 -13.907  -0.048  -3.148
  281    HZ3  LYS  37           HZ3      LYS  37 -14.622  -0.545  -1.703
  Start of MODEL    4
    1    H1   VAL   1           H1       VAL   1  -6.346  -9.336  -3.761
    2    H2   VAL   1           H2       VAL   1  -4.980  -9.718  -2.845
    3    H3   VAL   1           H3       VAL   1  -4.847  -9.533  -4.516
    4    HA   VAL   1           HA       VAL   1  -5.393  -7.214  -4.356
    5    HB   VAL   1           HB       VAL   1  -5.354  -6.174  -2.049
    6   HG11  VAL   1          HG11      VAL   1  -7.695  -6.405  -1.751
    7   HG12  VAL   1          HG12      VAL   1  -7.704  -7.996  -2.514
    8   HG13  VAL   1          HG13      VAL   1  -7.395  -6.555  -3.483
    9   HG21  VAL   1          HG21      VAL   1  -4.456  -8.085  -0.829
   10   HG22  VAL   1          HG22      VAL   1  -5.899  -9.023  -1.216
   11   HG23  VAL   1          HG23      VAL   1  -6.021  -7.604  -0.175
   12    H    GLY   2           H        GLY   2  -3.819  -5.529  -3.081
   13    HA2  GLY   2           HA2      GLY   2  -1.537  -5.240  -2.341
   14    HA3  GLY   2           HA3      GLY   2  -1.160  -6.799  -3.069
   15    H    ILE   3           H        ILE   3  -0.405  -3.750  -3.469
   16    HA   ILE   3           HA       ILE   3  -1.244  -3.510  -6.266
   17    HB   ILE   3           HB       ILE   3  -0.984  -1.187  -6.059
   18   HG12  ILE   3          HG12      ILE   3   0.520  -1.719  -3.485
   19   HG13  ILE   3          HG13      ILE   3   1.243  -1.218  -5.007
   20   HG21  ILE   3          HG21      ILE   3  -2.259  -0.658  -3.975
   21   HG22  ILE   3          HG22      ILE   3  -2.009  -2.319  -3.454
   22   HG23  ILE   3          HG23      ILE   3  -2.942  -1.982  -4.910
   23   HD11  ILE   3          HD11      ILE   3  -0.613   0.356  -3.281
   24   HD12  ILE   3          HD12      ILE   3  -0.075   0.874  -4.872
   25   HD13  ILE   3          HD13      ILE   3   1.091   0.669  -3.565
   26    H    ASN   4           H        ASN   4   0.344  -2.165  -7.570
   27    HA   ASN   4           HA       ASN   4   2.944  -3.530  -7.462
   28    HB2  ASN   4           HB2      ASN   4   1.630  -3.898  -9.517
   29    HB3  ASN   4           HB3      ASN   4   1.543  -2.161  -9.776
   30   HD21  ASN   4          HD21      ASN   4   4.408  -3.861  -8.644
   31   HD22  ASN   4          HD22      ASN   4   5.350  -3.574 -10.064
   32    H    VAL   5           H        VAL   5   4.166  -2.237  -6.188
   33    HA   VAL   5           HA       VAL   5   4.761   0.450  -7.065
   34    HB   VAL   5           HB       VAL   5   2.608   0.343  -5.469
   35   HG11  VAL   5          HG11      VAL   5   3.130   0.665  -3.170
   36   HG12  VAL   5          HG12      VAL   5   4.855   0.529  -3.493
   37   HG13  VAL   5          HG13      VAL   5   3.801  -0.868  -3.712
   38   HG21  VAL   5          HG21      VAL   5   3.099   2.627  -4.749
   39   HG22  VAL   5          HG22      VAL   5   3.545   2.382  -6.438
   40   HG23  VAL   5          HG23      VAL   5   4.792   2.412  -5.192
   41    H    ASP   6           H        ASP   6   6.188   1.439  -5.069
   42    HA   ASP   6           HA       ASP   6   8.018  -0.703  -4.213
   43    HB2  ASP   6           HB2      ASP   6   8.820   2.030  -5.209
   44    HB3  ASP   6           HB3      ASP   6   9.913   0.807  -4.579
   45    H    CYS   7           H        CYS   7   7.866  -0.802  -2.094
   46    HA   CYS   7           HA       CYS   7   7.395   1.618  -0.541
   47    HB2  CYS   7           HB2      CYS   7   7.349  -0.061   1.402
   48    HB3  CYS   7           HB3      CYS   7   6.013  -0.072   0.269
   49    H    LYS   8           H        LYS   8   8.970   2.701   0.384
   50    HA   LYS   8           HA       LYS   8  11.573   1.543   0.819
   51    HB2  LYS   8           HB2      LYS   8  11.237   3.975   0.328
   52    HB3  LYS   8           HB3      LYS   8  10.416   4.136   1.872
   53    HG2  LYS   8           HG2      LYS   8  12.434   3.441   3.023
   54    HG3  LYS   8           HG3      LYS   8  13.274   3.300   1.479
   55    HD2  LYS   8           HD2      LYS   8  12.766   5.725   1.085
   56    HD3  LYS   8           HD3      LYS   8  12.170   5.802   2.745
   57    HE2  LYS   8           HE2      LYS   8  14.961   5.057   1.875
   58    HE3  LYS   8           HE3      LYS   8  14.474   6.575   2.621
   59    HZ1  LYS   8           HZ1      LYS   8  13.858   5.363   4.612
   60    HZ2  LYS   8           HZ2      LYS   8  15.478   5.082   4.224
   61    HZ3  LYS   8           HZ3      LYS   8  14.316   3.902   3.897
   62    H    HIS   9           H        HIS   9   8.585   1.693   2.385
   63    HA   HIS   9           HA       HIS   9   9.419   0.172   4.634
   64    HB2  HIS   9           HB2      HIS   9   8.516   1.958   6.303
   65    HB3  HIS   9           HB3      HIS   9  10.180   2.074   5.746
   66    HD1  HIS   9           HD1      HIS   9  10.790   4.084   4.282
   67    HD2  HIS   9           HD2      HIS   9   6.798   3.992   5.421
   68    HE1  HIS   9           HE1      HIS   9   9.842   6.296   3.583
   69    HE2  HIS   9           HE2      HIS   9   7.500   6.314   4.521
   70    H    SER  10           H        SER  10   7.710  -0.616   5.853
   71    HA   SER  10           HA       SER  10   5.172  -0.786   4.513
   72    HB2  SER  10           HB2      SER  10   6.388  -2.581   5.917
   73    HB3  SER  10           HB3      SER  10   5.779  -1.714   7.324
   74    HG   SER  10           HG       SER  10   4.212  -3.129   6.938
   75    H    GLY  11           H        GLY  11   4.802   1.542   4.557
   76    HA2  GLY  11           HA2      GLY  11   2.971   2.344   6.540
   77    HA3  GLY  11           HA3      GLY  11   4.527   3.109   6.845
   78    H    GLN  12           H        GLN  12   5.200   3.152   3.981
   79    HA   GLN  12           HA       GLN  12   3.781   5.603   3.334
   80    HB2  GLN  12           HB2      GLN  12   5.448   6.005   1.719
   81    HB3  GLN  12           HB3      GLN  12   6.295   5.266   3.071
   82    HG2  GLN  12           HG2      GLN  12   6.308   3.130   1.926
   83    HG3  GLN  12           HG3      GLN  12   5.404   3.826   0.581
   84   HE21  GLN  12          HE21      GLN  12   6.943   3.483  -0.967
   85   HE22  GLN  12          HE22      GLN  12   8.467   4.302  -0.986
   86    H    CYS  13           H        CYS  13   2.916   2.520   2.935
   87    HA   CYS  13           HA       CYS  13   2.453   2.436   0.099
   88    HB2  CYS  13           HB2      CYS  13   1.469   0.642   2.325
   89    HB3  CYS  13           HB3      CYS  13   1.220   0.340   0.615
   90    H    LEU  14           H        LEU  14   0.975   3.937   2.661
   91    HA   LEU  14           HA       LEU  14  -1.756   3.469   2.252
   92    HB2  LEU  14           HB2      LEU  14  -0.383   5.900   3.373
   93    HB3  LEU  14           HB3      LEU  14  -2.070   5.506   3.575
   94    HG   LEU  14           HG       LEU  14   0.283   3.978   4.673
   95   HD11  LEU  14          HD11      LEU  14  -0.192   6.009   5.880
   96   HD12  LEU  14          HD12      LEU  14  -0.670   4.608   6.840
   97   HD13  LEU  14          HD13      LEU  14  -1.894   5.567   6.007
   98   HD21  LEU  14          HD21      LEU  14  -1.351   2.364   4.069
   99   HD22  LEU  14          HD22      LEU  14  -2.660   3.349   4.726
  100   HD23  LEU  14          HD23      LEU  14  -1.481   2.612   5.810
  101    H    LYS  15           H        LYS  15   0.240   6.216   1.240
  102    HA   LYS  15           HA       LYS  15  -1.677   7.676  -0.068
  103    HB2  LYS  15           HB2      LYS  15   0.297   8.803   0.334
  104    HB3  LYS  15           HB3      LYS  15   1.296   7.486  -0.260
  105    HG2  LYS  15           HG2      LYS  15   0.588   7.998  -2.531
  106    HG3  LYS  15           HG3      LYS  15  -0.353   9.362  -1.930
  107    HD2  LYS  15           HD2      LYS  15   1.681  10.399  -1.068
  108    HD3  LYS  15           HD3      LYS  15   2.632   9.020  -1.620
  109    HE2  LYS  15           HE2      LYS  15   2.816  10.898  -3.169
  110    HE3  LYS  15           HE3      LYS  15   2.031   9.515  -3.930
  111    HZ1  LYS  15           HZ1      LYS  15   0.656  11.907  -2.835
  112    HZ2  LYS  15           HZ2      LYS  15  -0.112  10.579  -3.540
  113    HZ3  LYS  15           HZ3      LYS  15   0.891  11.564  -4.473
  114    HA   PRO  16           HA       PRO  16  -0.698   5.519  -4.255
  115    HB2  PRO  16           HB2      PRO  16   0.668   3.169  -4.216
  116    HB3  PRO  16           HB3      PRO  16   1.450   4.739  -4.430
  117    HG2  PRO  16           HG2      PRO  16   1.225   3.038  -1.987
  118    HG3  PRO  16           HG3      PRO  16   2.598   4.001  -2.563
  119    HD2  PRO  16           HD2      PRO  16   0.931   4.815  -0.570
  120    HD3  PRO  16           HD3      PRO  16   1.777   5.940  -1.648
  121    H    CYS  17           H        CYS  17  -1.312   3.649  -1.395
  122    HA   CYS  17           HA       CYS  17  -2.774   1.539  -2.627
  123    HB2  CYS  17           HB2      CYS  17  -1.758   1.510  -0.307
  124    HB3  CYS  17           HB3      CYS  17  -3.083   2.550   0.204
  125    H    LYS  18           H        LYS  18  -3.557   4.676  -1.307
  126    HA   LYS  18           HA       LYS  18  -6.374   4.455  -1.525
  127    HB2  LYS  18           HB2      LYS  18  -5.168   6.040  -0.066
  128    HB3  LYS  18           HB3      LYS  18  -4.579   6.881  -1.491
  129    HG2  LYS  18           HG2      LYS  18  -6.734   7.667  -2.032
  130    HG3  LYS  18           HG3      LYS  18  -7.502   6.559  -0.887
  131    HD2  LYS  18           HD2      LYS  18  -7.482   8.726   0.120
  132    HD3  LYS  18           HD3      LYS  18  -6.270   7.732   0.936
  133    HE2  LYS  18           HE2      LYS  18  -4.509   8.765  -0.392
  134    HE3  LYS  18           HE3      LYS  18  -5.705   9.745  -1.236
  135    HZ1  LYS  18           HZ1      LYS  18  -5.132   9.858   1.674
  136    HZ2  LYS  18           HZ2      LYS  18  -6.262  10.812   0.855
  137    HZ3  LYS  18           HZ3      LYS  18  -4.614  10.985   0.527
  138    H    LYS  19           H        LYS  19  -3.788   5.423  -3.659
  139    HA   LYS  19           HA       LYS  19  -5.388   6.384  -5.792
  140    HB2  LYS  19           HB2      LYS  19  -3.036   6.920  -5.729
  141    HB3  LYS  19           HB3      LYS  19  -2.599   5.218  -5.708
  142    HG2  LYS  19           HG2      LYS  19  -3.498   4.976  -7.980
  143    HG3  LYS  19           HG3      LYS  19  -3.876   6.699  -7.998
  144    HD2  LYS  19           HD2      LYS  19  -1.545   7.266  -7.798
  145    HD3  LYS  19           HD3      LYS  19  -1.111   5.570  -7.578
  146    HE2  LYS  19           HE2      LYS  19  -2.355   6.744 -10.063
  147    HE3  LYS  19           HE3      LYS  19  -0.644   6.376  -9.857
  148    HZ1  LYS  19           HZ1      LYS  19  -1.797   4.616 -11.043
  149    HZ2  LYS  19           HZ2      LYS  19  -2.856   4.398  -9.744
  150    HZ3  LYS  19           HZ3      LYS  19  -1.212   4.049  -9.561
  151    H    ALA  20           H        ALA  20  -4.068   3.228  -4.927
  152    HA   ALA  20           HA       ALA  20  -4.954   1.821  -7.204
  153    HB1  ALA  20           HB1      ALA  20  -3.225   1.041  -5.554
  154    HB2  ALA  20           HB2      ALA  20  -4.438  -0.165  -5.989
  155    HB3  ALA  20           HB3      ALA  20  -4.550   0.679  -4.446
  156    H    GLY  21           H        GLY  21  -6.408   2.439  -4.047
  157    HA2  GLY  21           HA2      GLY  21  -8.844   2.884  -4.145
  158    HA3  GLY  21           HA3      GLY  21  -8.963   1.450  -5.148
  159    H    MET  22           H        MET  22  -6.730   1.297  -2.559
  160    HA   MET  22           HA       MET  22  -8.667  -0.342  -1.066
  161    HB2  MET  22           HB2      MET  22  -5.683  -0.764  -1.294
  162    HB3  MET  22           HB3      MET  22  -6.790  -1.751  -0.344
  163    HG2  MET  22           HG2      MET  22  -7.970  -2.400  -2.368
  164    HG3  MET  22           HG3      MET  22  -6.891  -1.392  -3.330
  165    HE1  MET  22           HE1      MET  22  -5.652  -4.842  -4.491
  166    HE2  MET  22           HE2      MET  22  -6.126  -3.210  -4.964
  167    HE3  MET  22           HE3      MET  22  -7.310  -4.295  -4.234
  168    H    ARG  23           H        ARG  23  -7.525  -0.702   1.335
  169    HA   ARG  23           HA       ARG  23  -7.831   2.043   2.282
  170    HB2  ARG  23           HB2      ARG  23  -8.100  -0.606   3.697
  171    HB3  ARG  23           HB3      ARG  23  -8.259   0.945   4.507
  172    HG2  ARG  23           HG2      ARG  23 -10.075   1.476   2.814
  173    HG3  ARG  23           HG3      ARG  23 -10.009  -0.233   2.384
  174    HD2  ARG  23           HD2      ARG  23 -10.446   0.712   5.200
  175    HD3  ARG  23           HD3      ARG  23 -11.770   0.439   4.071
  176    HE   ARG  23           HE       ARG  23 -10.236  -1.867   4.064
  177   HH11  ARG  23          HH11      ARG  23 -12.159  -0.044   6.344
  178   HH12  ARG  23          HH12      ARG  23 -12.571  -1.433   7.298
  179   HH21  ARG  23          HH21      ARG  23 -10.763  -3.687   5.317
  180   HH22  ARG  23          HH22      ARG  23 -11.762  -3.504   6.724
  181    H    PHE  24           H        PHE  24  -5.994  -0.696   3.598
  182    HA   PHE  24           HA       PHE  24  -3.894   1.222   4.365
  183    HB2  PHE  24           HB2      PHE  24  -3.741  -1.332   5.723
  184    HB3  PHE  24           HB3      PHE  24  -3.870   0.284   6.415
  185    HD1  PHE  24           HD1      PHE  24  -5.826  -2.409   4.879
  186    HD2  PHE  24           HD2      PHE  24  -5.863   0.921   7.494
  187    HE1  PHE  24           HE1      PHE  24  -8.123  -2.975   5.524
  188    HE2  PHE  24           HE2      PHE  24  -8.171   0.376   8.164
  189    HZ   PHE  24           HZ       PHE  24  -9.304  -1.577   7.184
  190    H    GLY  25           H        GLY  25  -1.691   0.321   4.420
  191    HA2  GLY  25           HA2      GLY  25  -1.314  -1.710   2.320
  192    HA3  GLY  25           HA3      GLY  25  -0.444  -0.186   2.266
  193    H    LYS  26           H        LYS  26   0.860  -2.608   2.249
  194    HA   LYS  26           HA       LYS  26   2.380  -2.515   4.724
  195    HB2  LYS  26           HB2      LYS  26   0.453  -4.379   4.594
  196    HB3  LYS  26           HB3      LYS  26   1.683  -5.212   3.658
  197    HG2  LYS  26           HG2      LYS  26   1.874  -5.959   5.895
  198    HG3  LYS  26           HG3      LYS  26   3.249  -4.904   5.575
  199    HD2  LYS  26           HD2      LYS  26   2.267  -4.475   7.781
  200    HD3  LYS  26           HD3      LYS  26   2.139  -3.069   6.726
  201    HE2  LYS  26           HE2      LYS  26   0.081  -3.463   8.003
  202    HE3  LYS  26           HE3      LYS  26  -0.183  -3.590   6.267
  203    HZ1  LYS  26           HZ1      LYS  26  -0.158  -5.977   6.445
  204    HZ2  LYS  26           HZ2      LYS  26  -1.292  -5.351   7.531
  205    HZ3  LYS  26           HZ3      LYS  26   0.207  -5.895   8.093
  206    H    CYS  27           H        CYS  27   4.540  -3.156   4.365
  207    HA   CYS  27           HA       CYS  27   5.262  -3.148   1.543
  208    HB2  CYS  27           HB2      CYS  27   6.447  -1.661   3.157
  209    HB3  CYS  27           HB3      CYS  27   7.091  -3.096   3.949
  210    H    ILE  28           H        ILE  28   5.596  -4.954   0.454
  211    HA   ILE  28           HA       ILE  28   6.565  -7.305   1.922
  212    HB   ILE  28           HB       ILE  28   4.725  -7.033  -0.461
  213   HG12  ILE  28          HG12      ILE  28   4.504  -8.143   2.310
  214   HG13  ILE  28          HG13      ILE  28   3.511  -6.923   1.525
  215   HG21  ILE  28          HG21      ILE  28   4.735  -9.416  -0.764
  216   HG22  ILE  28          HG22      ILE  28   5.924  -9.618   0.524
  217   HG23  ILE  28          HG23      ILE  28   6.373  -8.798  -0.974
  218   HD11  ILE  28          HD11      ILE  28   2.652  -8.695   0.015
  219   HD12  ILE  28          HD12      ILE  28   2.230  -8.917   1.713
  220   HD13  ILE  28          HD13      ILE  28   3.520  -9.880   0.989
  221    H    ASN  29           H        ASN  29   7.938  -8.717   0.329
  222    HA   ASN  29           HA       ASN  29  10.153  -7.107  -0.394
  223    HB2  ASN  29           HB2      ASN  29  11.111  -9.279  -1.275
  224    HB3  ASN  29           HB3      ASN  29  10.644  -9.270   0.418
  225   HD21  ASN  29          HD21      ASN  29   8.276  -9.505  -2.154
  226   HD22  ASN  29          HD22      ASN  29   7.850 -11.155  -1.855
  227    H    GLY  30           H        GLY  30   8.346  -5.958  -1.885
  228    HA2  GLY  30           HA2      GLY  30   9.309  -5.615  -4.350
  229    HA3  GLY  30           HA3      GLY  30   8.312  -7.046  -4.568
  230    H    LYS  31           H        LYS  31   6.261  -6.171  -2.596
  231    HA   LYS  31           HA       LYS  31   5.042  -4.113  -4.310
  232    HB2  LYS  31           HB2      LYS  31   2.938  -5.337  -4.185
  233    HB3  LYS  31           HB3      LYS  31   4.212  -6.346  -4.860
  234    HG2  LYS  31           HG2      LYS  31   4.472  -7.520  -2.797
  235    HG3  LYS  31           HG3      LYS  31   3.346  -6.432  -1.990
  236    HD2  LYS  31           HD2      LYS  31   2.166  -8.417  -2.440
  237    HD3  LYS  31           HD3      LYS  31   1.588  -7.227  -3.601
  238    HE2  LYS  31           HE2      LYS  31   3.732  -9.243  -4.235
  239    HE3  LYS  31           HE3      LYS  31   2.020  -9.565  -4.482
  240    HZ1  LYS  31           HZ1      LYS  31   1.989  -7.552  -5.936
  241    HZ2  LYS  31           HZ2      LYS  31   2.915  -8.833  -6.527
  242    HZ3  LYS  31           HZ3      LYS  31   3.675  -7.503  -5.826
  243    H    CYS  32           H        CYS  32   3.048  -3.184  -3.282
  244    HA   CYS  32           HA       CYS  32   3.237  -3.137  -0.351
  245    HB2  CYS  32           HB2      CYS  32   2.217  -1.127  -2.345
  246    HB3  CYS  32           HB3      CYS  32   1.530  -1.148  -0.720
  247    H    ASP  33           H        ASP  33   2.126  -4.920   0.220
  248    HA   ASP  33           HA       ASP  33  -0.308  -5.691  -1.055
  249    HB2  ASP  33           HB2      ASP  33   0.945  -7.471  -0.193
  250    HB3  ASP  33           HB3      ASP  33   1.208  -6.666   1.349
  251    H    CYS  34           H        CYS  34  -2.194  -4.859  -0.726
  252    HA   CYS  34           HA       CYS  34  -2.648  -3.218   1.660
  253    HB2  CYS  34           HB2      CYS  34  -3.738  -3.119  -1.139
  254    HB3  CYS  34           HB3      CYS  34  -4.549  -2.298   0.187
  255    H    THR  35           H        THR  35  -4.769  -3.212   2.605
  256    HA   THR  35           HA       THR  35  -6.355  -5.608   1.982
  257    HB   THR  35           HB       THR  35  -6.415  -3.971   4.527
  258    HG1  THR  35           HG1      THR  35  -4.568  -5.627   3.844
  259   HG21  THR  35          HG21      THR  35  -8.525  -5.169   3.786
  260   HG22  THR  35          HG22      THR  35  -7.904  -5.602   5.384
  261   HG23  THR  35          HG23      THR  35  -7.630  -6.677   4.014
  262    HA   PRO  36           HA       PRO  36  -9.053  -2.551   0.267
  263    HB2  PRO  36           HB2      PRO  36 -10.904  -4.200  -0.720
  264    HB3  PRO  36           HB3      PRO  36  -9.263  -4.182  -1.373
  265    HG2  PRO  36           HG2      PRO  36 -10.502  -6.086   0.580
  266    HG3  PRO  36           HG3      PRO  36  -9.492  -6.438  -0.833
  267    HD2  PRO  36           HD2      PRO  36  -8.541  -6.327   1.736
  268    HD3  PRO  36           HD3      PRO  36  -7.549  -6.008   0.302
  269    H    LYS  37           H        LYS  37 -11.811  -2.873   0.167
  270    HA   LYS  37           HA       LYS  37 -12.495  -2.328   2.945
  271    HB2  LYS  37           HB2      LYS  37 -14.079  -1.988   0.402
  272    HB3  LYS  37           HB3      LYS  37 -14.715  -1.637   1.999
  273    HG2  LYS  37           HG2      LYS  37 -14.061   0.447   1.458
  274    HG3  LYS  37           HG3      LYS  37 -12.514  -0.127   2.079
  275    HD2  LYS  37           HD2      LYS  37 -11.762  -0.627  -0.170
  276    HD3  LYS  37           HD3      LYS  37 -13.338  -0.173  -0.824
  277    HE2  LYS  37           HE2      LYS  37 -12.975   2.109   0.152
  278    HE3  LYS  37           HE3      LYS  37 -11.328   1.614   0.535
  279    HZ1  LYS  37           HZ1      LYS  37 -11.388   2.816  -1.535
  280    HZ2  LYS  37           HZ2      LYS  37 -12.534   1.752  -2.177
  281    HZ3  LYS  37           HZ3      LYS  37 -10.967   1.207  -1.844
  Start of MODEL    5
    1    H1   VAL   1           H1       VAL   1  -7.070  -8.217  -3.560
    2    H2   VAL   1           H2       VAL   1  -5.697  -8.847  -2.805
    3    H3   VAL   1           H3       VAL   1  -5.765  -8.751  -4.489
    4    HA   VAL   1           HA       VAL   1  -5.760  -6.381  -4.430
    5    HB   VAL   1           HB       VAL   1  -5.342  -5.214  -2.265
    6   HG11  VAL   1          HG11      VAL   1  -7.639  -5.142  -1.588
    7   HG12  VAL   1          HG12      VAL   1  -7.957  -6.708  -2.334
    8   HG13  VAL   1          HG13      VAL   1  -7.574  -5.312  -3.342
    9   HG21  VAL   1          HG21      VAL   1  -4.544  -7.118  -0.973
   10   HG22  VAL   1          HG22      VAL   1  -6.135  -7.870  -1.075
   11   HG23  VAL   1          HG23      VAL   1  -5.928  -6.364  -0.182
   12    H    GLY   2           H        GLY   2  -3.820  -4.994  -3.482
   13    HA2  GLY   2           HA2      GLY   2  -1.521  -5.083  -2.706
   14    HA3  GLY   2           HA3      GLY   2  -1.439  -6.728  -3.319
   15    H    ILE   3           H        ILE   3  -0.490  -3.620  -3.924
   16    HA   ILE   3           HA       ILE   3  -0.815  -3.812  -6.840
   17    HB   ILE   3           HB       ILE   3  -0.467  -1.478  -6.940
   18   HG12  ILE   3          HG12      ILE   3   0.456  -1.618  -4.063
   19   HG13  ILE   3          HG13      ILE   3   1.513  -1.435  -5.458
   20   HG21  ILE   3          HG21      ILE   3  -2.087  -0.574  -5.301
   21   HG22  ILE   3          HG22      ILE   3  -2.020  -2.106  -4.428
   22   HG23  ILE   3          HG23      ILE   3  -2.652  -2.054  -6.075
   23   HD11  ILE   3          HD11      ILE   3  -0.373   0.513  -4.251
   24   HD12  ILE   3          HD12      ILE   3   0.134   0.688  -5.926
   25   HD13  ILE   3          HD13      ILE   3   1.332   0.708  -4.630
   26    H    ASN   4           H        ASN   4   1.099  -2.566  -7.951
   27    HA   ASN   4           HA       ASN   4   3.616  -3.770  -7.016
   28    HB2  ASN   4           HB2      ASN   4   2.948  -4.538  -9.249
   29    HB3  ASN   4           HB3      ASN   4   2.825  -2.869  -9.800
   30   HD21  ASN   4          HD21      ASN   4   4.357  -3.149 -11.398
   31   HD22  ASN   4          HD22      ASN   4   6.040  -3.323 -11.046
   32    H    VAL   5           H        VAL   5   5.045  -2.400  -6.184
   33    HA   VAL   5           HA       VAL   5   5.430   0.274  -7.092
   34    HB   VAL   5           HB       VAL   5   3.178   0.230  -5.744
   35   HG11  VAL   5          HG11      VAL   5   3.403   0.507  -3.369
   36   HG12  VAL   5          HG12      VAL   5   5.145   0.284  -3.474
   37   HG13  VAL   5          HG13      VAL   5   4.058  -1.049  -3.867
   38   HG21  VAL   5          HG21      VAL   5   3.551   2.478  -4.904
   39   HG22  VAL   5          HG22      VAL   5   4.281   2.284  -6.499
   40   HG23  VAL   5          HG23      VAL   5   5.293   2.269  -5.057
   41    H    ASP   6           H        ASP   6   6.647   1.433  -5.016
   42    HA   ASP   6           HA       ASP   6   8.433  -0.594  -3.886
   43    HB2  ASP   6           HB2      ASP   6  10.346   0.921  -4.168
   44    HB3  ASP   6           HB3      ASP   6   9.631   0.463  -5.704
   45    H    CYS   7           H        CYS   7   8.102  -0.619  -1.836
   46    HA   CYS   7           HA       CYS   7   7.346   1.813  -0.427
   47    HB2  CYS   7           HB2      CYS   7   7.127   0.195   1.536
   48    HB3  CYS   7           HB3      CYS   7   5.975   0.033   0.229
   49    H    LYS   8           H        LYS   8   8.798   3.014   0.551
   50    HA   LYS   8           HA       LYS   8  11.355   2.054   1.387
   51    HB2  LYS   8           HB2      LYS   8  10.827   4.471   0.944
   52    HB3  LYS   8           HB3      LYS   8   9.811   4.470   2.374
   53    HG2  LYS   8           HG2      LYS   8  11.722   3.980   3.765
   54    HG3  LYS   8           HG3      LYS   8  12.767   3.919   2.345
   55    HD2  LYS   8           HD2      LYS   8  11.211   6.334   3.273
   56    HD3  LYS   8           HD3      LYS   8  12.938   6.073   3.525
   57    HE2  LYS   8           HE2      LYS   8  13.254   6.002   1.081
   58    HE3  LYS   8           HE3      LYS   8  11.536   6.329   0.864
   59    HZ1  LYS   8           HZ1      LYS   8  12.908   8.322   0.657
   60    HZ2  LYS   8           HZ2      LYS   8  13.445   8.130   2.246
   61    HZ3  LYS   8           HZ3      LYS   8  11.814   8.452   1.940
   62    H    HIS   9           H        HIS   9   8.151   2.076   2.576
   63    HA   HIS   9           HA       HIS   9   8.576   0.248   4.655
   64    HB2  HIS   9           HB2      HIS   9   7.854   1.829   6.561
   65    HB3  HIS   9           HB3      HIS   9   9.537   1.887   6.052
   66    HD1  HIS   9           HD1      HIS   9  10.371   4.030   4.961
   67    HD2  HIS   9           HD2      HIS   9   6.342   4.145   5.965
   68    HE1  HIS   9           HE1      HIS   9   9.641   6.391   4.541
   69    HE2  HIS   9           HE2      HIS   9   7.273   6.497   5.404
   70    H    SER  10           H        SER  10   6.499  -0.067   5.943
   71    HA   SER  10           HA       SER  10   4.369  -0.286   4.137
   72    HB2  SER  10           HB2      SER  10   3.035  -0.823   6.228
   73    HB3  SER  10           HB3      SER  10   4.488  -1.785   5.975
   74    HG   SER  10           HG       SER  10   4.708  -1.167   8.025
   75    H    GLY  11           H        GLY  11   5.086   2.192   6.539
   76    HA2  GLY  11           HA2      GLY  11   2.617   3.453   6.696
   77    HA3  GLY  11           HA3      GLY  11   4.160   4.238   6.970
   78    H    GLN  12           H        GLN  12   5.075   3.807   4.183
   79    HA   GLN  12           HA       GLN  12   3.626   6.088   3.090
   80    HB2  GLN  12           HB2      GLN  12   5.480   6.207   1.427
   81    HB3  GLN  12           HB3      GLN  12   5.989   6.395   3.095
   82    HG2  GLN  12           HG2      GLN  12   7.620   5.038   2.200
   83    HG3  GLN  12           HG3      GLN  12   6.544   3.890   2.988
   84   HE21  GLN  12          HE21      GLN  12   7.695   5.126  -0.053
   85   HE22  GLN  12          HE22      GLN  12   7.065   3.846  -1.034
   86    H    CYS  13           H        CYS  13   3.059   2.975   3.023
   87    HA   CYS  13           HA       CYS  13   2.688   2.584   0.174
   88    HB2  CYS  13           HB2      CYS  13   3.334   0.675   1.566
   89    HB3  CYS  13           HB3      CYS  13   1.892   0.880   2.552
   90    H    LEU  14           H        LEU  14   1.057   4.003   2.721
   91    HA   LEU  14           HA       LEU  14  -1.611   3.310   2.348
   92    HB2  LEU  14           HB2      LEU  14  -0.403   5.900   3.295
   93    HB3  LEU  14           HB3      LEU  14  -2.083   5.461   3.478
   94    HG   LEU  14           HG       LEU  14   0.304   4.170   4.791
   95   HD11  LEU  14          HD11      LEU  14  -0.421   6.212   5.847
   96   HD12  LEU  14          HD12      LEU  14  -0.840   4.832   6.860
   97   HD13  LEU  14          HD13      LEU  14  -2.084   5.631   5.899
   98   HD21  LEU  14          HD21      LEU  14  -1.156   2.380   4.192
   99   HD22  LEU  14          HD22      LEU  14  -2.570   3.269   4.762
  100   HD23  LEU  14          HD23      LEU  14  -1.363   2.698   5.915
  101    H    LYS  15           H        LYS  15   0.200   6.039   1.028
  102    HA   LYS  15           HA       LYS  15  -1.908   7.282  -0.255
  103    HB2  LYS  15           HB2      LYS  15   0.049   8.502   0.221
  104    HB3  LYS  15           HB3      LYS  15   1.065   7.372  -0.658
  105    HG2  LYS  15           HG2      LYS  15   0.118   8.060  -2.724
  106    HG3  LYS  15           HG3      LYS  15  -1.017   9.132  -1.910
  107    HD2  LYS  15           HD2      LYS  15   1.964   9.423  -1.629
  108    HD3  LYS  15           HD3      LYS  15   1.066  10.197  -2.932
  109    HE2  LYS  15           HE2      LYS  15   1.314  11.807  -1.204
  110    HE3  LYS  15           HE3      LYS  15  -0.364  11.280  -1.180
  111    HZ1  LYS  15           HZ1      LYS  15   0.761  11.493   1.036
  112    HZ2  LYS  15           HZ2      LYS  15   1.691  10.142   0.628
  113    HZ3  LYS  15           HZ3      LYS  15   0.010  10.010   0.749
  114    HA   PRO  16           HA       PRO  16  -0.718   5.236  -4.418
  115    HB2  PRO  16           HB2      PRO  16   0.829   3.002  -4.428
  116    HB3  PRO  16           HB3      PRO  16   1.494   4.632  -4.587
  117    HG2  PRO  16           HG2      PRO  16   1.344   2.864  -2.185
  118    HG3  PRO  16           HG3      PRO  16   2.677   3.901  -2.732
  119    HD2  PRO  16           HD2      PRO  16   0.981   4.638  -0.741
  120    HD3  PRO  16           HD3      PRO  16   1.735   5.808  -1.840
  121    H    CYS  17           H        CYS  17  -1.057   3.235  -1.584
  122    HA   CYS  17           HA       CYS  17  -2.612   1.174  -2.753
  123    HB2  CYS  17           HB2      CYS  17  -1.492   0.976  -0.553
  124    HB3  CYS  17           HB3      CYS  17  -2.597   2.180   0.103
  125    H    LYS  18           H        LYS  18  -3.332   4.282  -1.298
  126    HA   LYS  18           HA       LYS  18  -6.159   4.084  -1.408
  127    HB2  LYS  18           HB2      LYS  18  -5.145   5.696   0.043
  128    HB3  LYS  18           HB3      LYS  18  -4.248   6.415  -1.283
  129    HG2  LYS  18           HG2      LYS  18  -6.294   7.267  -2.249
  130    HG3  LYS  18           HG3      LYS  18  -7.240   6.478  -0.985
  131    HD2  LYS  18           HD2      LYS  18  -5.062   8.365  -0.219
  132    HD3  LYS  18           HD3      LYS  18  -6.595   9.017  -0.797
  133    HE2  LYS  18           HE2      LYS  18  -6.563   8.869   1.638
  134    HE3  LYS  18           HE3      LYS  18  -7.782   7.800   0.952
  135    HZ1  LYS  18           HZ1      LYS  18  -6.347   5.933   1.308
  136    HZ2  LYS  18           HZ2      LYS  18  -6.490   6.780   2.762
  137    HZ3  LYS  18           HZ3      LYS  18  -5.085   6.927   1.834
  138    H    LYS  19           H        LYS  19  -3.685   5.360  -3.566
  139    HA   LYS  19           HA       LYS  19  -5.320   6.327  -5.611
  140    HB2  LYS  19           HB2      LYS  19  -2.876   6.692  -5.465
  141    HB3  LYS  19           HB3      LYS  19  -2.611   5.001  -5.852
  142    HG2  LYS  19           HG2      LYS  19  -2.250   6.386  -7.799
  143    HG3  LYS  19           HG3      LYS  19  -3.650   5.342  -8.041
  144    HD2  LYS  19           HD2      LYS  19  -4.145   7.559  -8.857
  145    HD3  LYS  19           HD3      LYS  19  -5.122   7.231  -7.428
  146    HE2  LYS  19           HE2      LYS  19  -3.493   8.490  -6.067
  147    HE3  LYS  19           HE3      LYS  19  -2.586   8.862  -7.531
  148    HZ1  LYS  19           HZ1      LYS  19  -4.550  10.001  -8.388
  149    HZ2  LYS  19           HZ2      LYS  19  -4.022  10.684  -6.935
  150    HZ3  LYS  19           HZ3      LYS  19  -5.378   9.678  -6.950
  151    H    ALA  20           H        ALA  20  -4.286   3.086  -4.814
  152    HA   ALA  20           HA       ALA  20  -5.326   1.873  -7.191
  153    HB1  ALA  20           HB1      ALA  20  -3.464   0.940  -5.807
  154    HB2  ALA  20           HB2      ALA  20  -4.748  -0.205  -6.189
  155    HB3  ALA  20           HB3      ALA  20  -4.664   0.526  -4.587
  156    H    GLY  21           H        GLY  21  -6.452   2.334  -3.866
  157    HA2  GLY  21           HA2      GLY  21  -8.898   3.003  -3.986
  158    HA3  GLY  21           HA3      GLY  21  -9.118   1.462  -4.787
  159    H    MET  22           H        MET  22  -6.798   1.054  -2.405
  160    HA   MET  22           HA       MET  22  -8.847  -0.214  -0.739
  161    HB2  MET  22           HB2      MET  22  -5.869  -0.638  -0.893
  162    HB3  MET  22           HB3      MET  22  -6.863  -1.341   0.371
  163    HG2  MET  22           HG2      MET  22  -6.610  -3.025  -1.222
  164    HG3  MET  22           HG3      MET  22  -8.235  -2.391  -1.473
  165    HE1  MET  22           HE1      MET  22  -4.836  -0.678  -2.617
  166    HE2  MET  22           HE2      MET  22  -4.613  -1.477  -4.174
  167    HE3  MET  22           HE3      MET  22  -4.555  -2.417  -2.685
  168    H    ARG  23           H        ARG  23  -7.503  -0.406   1.682
  169    HA   ARG  23           HA       ARG  23  -7.854   2.368   2.559
  170    HB2  ARG  23           HB2      ARG  23  -8.040  -0.243   4.065
  171    HB3  ARG  23           HB3      ARG  23  -8.190   1.334   4.824
  172    HG2  ARG  23           HG2      ARG  23 -10.083   1.754   3.163
  173    HG3  ARG  23           HG3      ARG  23 -10.027   0.017   2.859
  174    HD2  ARG  23           HD2      ARG  23 -10.308   1.165   5.617
  175    HD3  ARG  23           HD3      ARG  23 -11.694   0.820   4.590
  176    HE   ARG  23           HE       ARG  23 -10.240  -1.502   4.619
  177   HH11  ARG  23          HH11      ARG  23 -11.743   0.543   7.029
  178   HH12  ARG  23          HH12      ARG  23 -12.033  -0.763   8.135
  179   HH21  ARG  23          HH21      ARG  23 -10.622  -3.209   6.062
  180   HH22  ARG  23          HH22      ARG  23 -11.398  -2.900   7.582
  181    H    PHE  24           H        PHE  24  -5.849  -0.439   3.423
  182    HA   PHE  24           HA       PHE  24  -3.663   1.422   4.070
  183    HB2  PHE  24           HB2      PHE  24  -3.463  -0.927   5.689
  184    HB3  PHE  24           HB3      PHE  24  -3.609   0.750   6.205
  185    HD1  PHE  24           HD1      PHE  24  -5.616  -2.098   4.995
  186    HD2  PHE  24           HD2      PHE  24  -5.503   1.379   7.417
  187    HE1  PHE  24           HE1      PHE  24  -7.846  -2.644   5.849
  188    HE2  PHE  24           HE2      PHE  24  -7.742   0.849   8.291
  189    HZ   PHE  24           HZ       PHE  24  -8.918  -1.169   7.512
  190    H    GLY  25           H        GLY  25  -1.533   0.401   4.056
  191    HA2  GLY  25           HA2      GLY  25  -1.409  -1.948   2.297
  192    HA3  GLY  25           HA3      GLY  25  -0.544  -0.485   1.862
  193    H    LYS  26           H        LYS  26   0.548  -3.086   2.300
  194    HA   LYS  26           HA       LYS  26   2.304  -2.540   4.598
  195    HB2  LYS  26           HB2      LYS  26   1.450  -5.175   3.395
  196    HB3  LYS  26           HB3      LYS  26   2.789  -5.022   4.518
  197    HG2  LYS  26           HG2      LYS  26   1.267  -4.163   6.220
  198    HG3  LYS  26           HG3      LYS  26  -0.083  -4.335   5.092
  199    HD2  LYS  26           HD2      LYS  26   0.311  -6.740   4.968
  200    HD3  LYS  26           HD3      LYS  26   1.691  -6.579   6.055
  201    HE2  LYS  26           HE2      LYS  26  -0.265  -7.380   7.252
  202    HE3  LYS  26           HE3      LYS  26   0.206  -5.783   7.822
  203    HZ1  LYS  26           HZ1      LYS  26  -2.195  -6.003   7.525
  204    HZ2  LYS  26           HZ2      LYS  26  -1.971  -6.320   5.882
  205    HZ3  LYS  26           HZ3      LYS  26  -1.548  -4.812   6.516
  206    H    CYS  27           H        CYS  27   4.501  -3.523   4.284
  207    HA   CYS  27           HA       CYS  27   5.388  -2.868   1.560
  208    HB2  CYS  27           HB2      CYS  27   6.330  -1.519   3.418
  209    HB3  CYS  27           HB3      CYS  27   7.017  -2.988   4.106
  210    H    ILE  28           H        ILE  28   5.509  -4.671   0.346
  211    HA   ILE  28           HA       ILE  28   6.905  -6.987   1.509
  212    HB   ILE  28           HB       ILE  28   4.708  -6.897  -0.590
  213   HG12  ILE  28          HG12      ILE  28   4.863  -7.902   2.239
  214   HG13  ILE  28          HG13      ILE  28   3.771  -6.699   1.567
  215   HG21  ILE  28          HG21      ILE  28   4.826  -9.342  -0.647
  216   HG22  ILE  28          HG22      ILE  28   6.251  -9.299   0.393
  217   HG23  ILE  28          HG23      ILE  28   6.321  -8.609  -1.229
  218   HD11  ILE  28          HD11      ILE  28   2.733  -8.503   0.212
  219   HD12  ILE  28          HD12      ILE  28   2.543  -8.698   1.953
  220   HD13  ILE  28          HD13      ILE  28   3.733  -9.665   1.082
  221    H    ASN  29           H        ASN  29   7.940  -8.269  -0.468
  222    HA   ASN  29           HA       ASN  29  10.086  -6.709  -1.320
  223    HB2  ASN  29           HB2      ASN  29  10.628  -8.728  -2.761
  224    HB3  ASN  29           HB3      ASN  29  10.436  -9.022  -1.039
  225   HD21  ASN  29          HD21      ASN  29   7.739  -8.480  -3.197
  226   HD22  ASN  29          HD22      ASN  29   7.123 -10.103  -3.152
  227    H    GLY  30           H        GLY  30   8.618  -4.994  -2.302
  228    HA2  GLY  30           HA2      GLY  30   8.623  -3.777  -4.332
  229    HA3  GLY  30           HA3      GLY  30   8.697  -5.300  -5.211
  230    H    LYS  31           H        LYS  31   6.482  -5.490  -2.672
  231    HA   LYS  31           HA       LYS  31   4.284  -4.906  -4.524
  232    HB2  LYS  31           HB2      LYS  31   4.401  -7.245  -4.509
  233    HB3  LYS  31           HB3      LYS  31   4.817  -7.306  -2.803
  234    HG2  LYS  31           HG2      LYS  31   2.520  -6.471  -2.311
  235    HG3  LYS  31           HG3      LYS  31   2.140  -6.703  -4.022
  236    HD2  LYS  31           HD2      LYS  31   3.246  -8.864  -2.255
  237    HD3  LYS  31           HD3      LYS  31   1.514  -8.616  -2.502
  238    HE2  LYS  31           HE2      LYS  31   1.833  -8.945  -4.920
  239    HE3  LYS  31           HE3      LYS  31   3.551  -9.219  -4.645
  240    HZ1  LYS  31           HZ1      LYS  31   1.325 -10.890  -3.618
  241    HZ2  LYS  31           HZ2      LYS  31   2.959 -11.140  -3.270
  242    HZ3  LYS  31           HZ3      LYS  31   2.399 -11.306  -4.855
  243    H    CYS  32           H        CYS  32   2.726  -3.631  -3.685
  244    HA   CYS  32           HA       CYS  32   2.803  -3.115  -0.805
  245    HB2  CYS  32           HB2      CYS  32   2.078  -1.520  -3.110
  246    HB3  CYS  32           HB3      CYS  32   0.764  -1.561  -1.938
  247    H    ASP  33           H        ASP  33   1.941  -5.047  -0.099
  248    HA   ASP  33           HA       ASP  33  -0.592  -5.977  -1.088
  249    HB2  ASP  33           HB2      ASP  33   0.875  -7.677  -0.330
  250    HB3  ASP  33           HB3      ASP  33   1.177  -6.852   1.196
  251    H    CYS  34           H        CYS  34  -2.410  -5.078  -0.599
  252    HA   CYS  34           HA       CYS  34  -2.558  -3.324   1.731
  253    HB2  CYS  34           HB2      CYS  34  -4.132  -3.463  -0.830
  254    HB3  CYS  34           HB3      CYS  34  -4.576  -2.418   0.513
  255    H    THR  35           H        THR  35  -4.769  -3.071   2.679
  256    HA   THR  35           HA       THR  35  -6.365  -5.528   2.493
  257    HB   THR  35           HB       THR  35  -5.994  -3.812   4.963
  258    HG1  THR  35           HG1      THR  35  -4.430  -5.658   4.083
  259   HG21  THR  35          HG21      THR  35  -8.290  -4.848   4.542
  260   HG22  THR  35          HG22      THR  35  -7.507  -5.247   6.076
  261   HG23  THR  35          HG23      THR  35  -7.496  -6.411   4.751
  262    HA   PRO  36           HA       PRO  36  -9.205  -2.436   1.079
  263    HB2  PRO  36           HB2      PRO  36 -11.098  -4.088   0.180
  264    HB3  PRO  36           HB3      PRO  36  -9.517  -4.015  -0.596
  265    HG2  PRO  36           HG2      PRO  36 -10.600  -6.038   1.311
  266    HG3  PRO  36           HG3      PRO  36  -9.599  -6.278  -0.130
  267    HD2  PRO  36           HD2      PRO  36  -8.659  -6.202   2.484
  268    HD3  PRO  36           HD3      PRO  36  -7.671  -5.956   1.035
  269    H    LYS  37           H        LYS  37 -11.962  -2.875   1.175
  270    HA   LYS  37           HA       LYS  37 -12.617  -2.007   3.775
  271    HB2  LYS  37           HB2      LYS  37 -14.096  -2.661   1.304
  272    HB3  LYS  37           HB3      LYS  37 -15.017  -2.814   2.791
  273    HG2  LYS  37           HG2      LYS  37 -15.261  -0.612   1.720
  274    HG3  LYS  37           HG3      LYS  37 -14.601  -0.515   3.350
  275    HD2  LYS  37           HD2      LYS  37 -12.375  -0.196   2.473
  276    HD3  LYS  37           HD3      LYS  37 -12.956  -0.442   0.826
  277    HE2  LYS  37           HE2      LYS  37 -12.611   1.937   1.375
  278    HE3  LYS  37           HE3      LYS  37 -14.278   1.567   0.943
  279    HZ1  LYS  37           HZ1      LYS  37 -14.185   3.022   2.852
  280    HZ2  LYS  37           HZ2      LYS  37 -13.236   1.914   3.703
  281    HZ3  LYS  37           HZ3      LYS  37 -14.830   1.527   3.304
  Start of MODEL    6
    1    H1   VAL   1           H1       VAL   1  -5.409  -7.057  -5.294
    2    H2   VAL   1           H2       VAL   1  -6.566  -7.432  -4.122
    3    H3   VAL   1           H3       VAL   1  -5.332  -8.530  -4.474
    4    HA   VAL   1           HA       VAL   1  -4.956  -5.850  -3.282
    5    HB   VAL   1           HB       VAL   1  -4.820  -8.603  -2.044
    6   HG11  VAL   1          HG11      VAL   1  -4.037  -5.966  -0.825
    7   HG12  VAL   1          HG12      VAL   1  -2.935  -7.266  -1.277
    8   HG13  VAL   1          HG13      VAL   1  -4.110  -7.515   0.014
    9   HG21  VAL   1          HG21      VAL   1  -6.525  -6.192  -1.450
   10   HG22  VAL   1          HG22      VAL   1  -6.501  -7.676  -0.495
   11   HG23  VAL   1          HG23      VAL   1  -7.066  -7.712  -2.165
   12    H    GLY   2           H        GLY   2  -2.918  -5.119  -3.262
   13    HA2  GLY   2           HA2      GLY   2  -0.556  -5.441  -3.102
   14    HA3  GLY   2           HA3      GLY   2  -0.752  -6.994  -3.892
   15    H    ILE   3           H        ILE   3  -0.292  -3.637  -4.298
   16    HA   ILE   3           HA       ILE   3  -0.577  -3.813  -7.203
   17    HB   ILE   3           HB       ILE   3  -0.613  -1.494  -7.273
   18   HG12  ILE   3          HG12      ILE   3   0.842  -1.502  -4.625
   19   HG13  ILE   3          HG13      ILE   3   1.520  -1.084  -6.189
   20   HG21  ILE   3          HG21      ILE   3  -2.060  -0.715  -5.436
   21   HG22  ILE   3          HG22      ILE   3  -1.683  -2.185  -4.533
   22   HG23  ILE   3          HG23      ILE   3  -2.558  -2.286  -6.062
   23   HD11  ILE   3          HD11      ILE   3  -0.451   0.450  -4.547
   24   HD12  ILE   3          HD12      ILE   3  -0.159   0.802  -6.250
   25   HD13  ILE   3          HD13      ILE   3   1.157   0.937  -5.083
   26    H    ASN   4           H        ASN   4   1.299  -2.313  -8.268
   27    HA   ASN   4           HA       ASN   4   3.809  -3.598  -7.429
   28    HB2  ASN   4           HB2      ASN   4   2.973  -4.125  -9.738
   29    HB3  ASN   4           HB3      ASN   4   3.161  -2.421 -10.141
   30   HD21  ASN   4          HD21      ASN   4   4.805  -5.382  -9.365
   31   HD22  ASN   4          HD22      ASN   4   6.372  -4.887  -9.906
   32    H    VAL   5           H        VAL   5   4.978  -2.276  -6.226
   33    HA   VAL   5           HA       VAL   5   5.446   0.469  -7.021
   34    HB   VAL   5           HB       VAL   5   3.224   0.297  -5.693
   35   HG11  VAL   5          HG11      VAL   5   3.496   0.371  -3.261
   36   HG12  VAL   5          HG12      VAL   5   5.193  -0.053  -3.450
   37   HG13  VAL   5          HG13      VAL   5   3.936  -1.184  -3.956
   38   HG21  VAL   5          HG21      VAL   5   3.556   2.427  -4.630
   39   HG22  VAL   5          HG22      VAL   5   4.409   2.413  -6.175
   40   HG23  VAL   5          HG23      VAL   5   5.304   2.222  -4.670
   41    H    ASP   6           H        ASP   6   6.687   1.476  -4.888
   42    HA   ASP   6           HA       ASP   6   8.630  -0.570  -4.042
   43    HB2  ASP   6           HB2      ASP   6   9.353   2.223  -4.916
   44    HB3  ASP   6           HB3      ASP   6  10.457   1.006  -4.300
   45    H    CYS   7           H        CYS   7   8.161  -0.709  -1.970
   46    HA   CYS   7           HA       CYS   7   7.810   1.723  -0.395
   47    HB2  CYS   7           HB2      CYS   7   7.342   0.084   1.483
   48    HB3  CYS   7           HB3      CYS   7   6.173   0.128   0.180
   49    H    LYS   8           H        LYS   8   9.418   2.579   0.741
   50    HA   LYS   8           HA       LYS   8  11.772   1.024   1.413
   51    HB2  LYS   8           HB2      LYS   8  11.942   3.462   0.925
   52    HB3  LYS   8           HB3      LYS   8  10.912   3.791   2.306
   53    HG2  LYS   8           HG2      LYS   8  12.567   2.850   3.795
   54    HG3  LYS   8           HG3      LYS   8  13.617   2.481   2.426
   55    HD2  LYS   8           HD2      LYS   8  12.708   5.249   3.224
   56    HD3  LYS   8           HD3      LYS   8  14.280   4.549   3.608
   57    HE2  LYS   8           HE2      LYS   8  13.193   5.051   0.836
   58    HE3  LYS   8           HE3      LYS   8  14.403   6.030   1.663
   59    HZ1  LYS   8           HZ1      LYS   8  15.438   4.507   0.119
   60    HZ2  LYS   8           HZ2      LYS   8  14.712   3.183   0.873
   61    HZ3  LYS   8           HZ3      LYS   8  15.871   4.095   1.700
   62    H    HIS   9           H        HIS   9   8.679   1.633   2.538
   63    HA   HIS   9           HA       HIS   9   8.896   0.048   4.874
   64    HB2  HIS   9           HB2      HIS   9   8.129   1.958   6.436
   65    HB3  HIS   9           HB3      HIS   9   9.840   1.856   6.042
   66    HD1  HIS   9           HD1      HIS   9  10.865   3.770   4.733
   67    HD2  HIS   9           HD2      HIS   9   6.768   4.172   5.272
   68    HE1  HIS   9           HE1      HIS   9  10.299   6.055   3.873
   69    HE2  HIS   9           HE2      HIS   9   7.869   6.374   4.479
   70    H    SER  10           H        SER  10   6.754  -0.009   6.054
   71    HA   SER  10           HA       SER  10   4.741  -0.430   4.108
   72    HB2  SER  10           HB2      SER  10   3.317  -0.867   6.196
   73    HB3  SER  10           HB3      SER  10   4.747  -1.876   5.969
   74    HG   SER  10           HG       SER  10   4.163  -0.105   7.957
   75    H    GLY  11           H        GLY  11   5.291   2.146   6.440
   76    HA2  GLY  11           HA2      GLY  11   2.743   3.275   6.488
   77    HA3  GLY  11           HA3      GLY  11   4.233   4.134   6.830
   78    H    GLN  12           H        GLN  12   5.180   3.542   4.005
   79    HA   GLN  12           HA       GLN  12   3.920   5.917   2.893
   80    HB2  GLN  12           HB2      GLN  12   5.717   6.021   1.361
   81    HB3  GLN  12           HB3      GLN  12   6.426   5.537   2.894
   82    HG2  GLN  12           HG2      GLN  12   6.534   3.239   2.156
   83    HG3  GLN  12           HG3      GLN  12   5.731   3.664   0.645
   84   HE21  GLN  12          HE21      GLN  12   6.853   4.875  -0.895
   85   HE22  GLN  12          HE22      GLN  12   8.579   5.005  -0.868
   86    H    CYS  13           H        CYS  13   3.249   2.701   2.826
   87    HA   CYS  13           HA       CYS  13   2.688   2.502  -0.025
   88    HB2  CYS  13           HB2      CYS  13   3.471   0.646   1.847
   89    HB3  CYS  13           HB3      CYS  13   1.745   0.326   1.707
   90    H    LEU  14           H        LEU  14   1.233   3.779   2.600
   91    HA   LEU  14           HA       LEU  14  -1.461   3.026   2.370
   92    HB2  LEU  14           HB2      LEU  14  -0.318   5.703   3.166
   93    HB3  LEU  14           HB3      LEU  14  -1.932   5.135   3.516
   94    HG   LEU  14           HG       LEU  14   0.646   4.044   4.634
   95   HD11  LEU  14          HD11      LEU  14  -0.044   6.148   5.618
   96   HD12  LEU  14          HD12      LEU  14  -0.252   4.827   6.768
   97   HD13  LEU  14          HD13      LEU  14  -1.652   5.496   5.930
   98   HD21  LEU  14          HD21      LEU  14  -0.857   2.199   4.299
   99   HD22  LEU  14          HD22      LEU  14  -2.187   3.098   5.032
  100   HD23  LEU  14          HD23      LEU  14  -0.814   2.598   6.017
  101    H    LYS  15           H        LYS  15   0.232   5.847   1.112
  102    HA   LYS  15           HA       LYS  15  -1.769   7.082  -0.259
  103    HB2  LYS  15           HB2      LYS  15   0.693   7.752   0.239
  104    HB3  LYS  15           HB3      LYS  15   1.028   7.045  -1.332
  105    HG2  LYS  15           HG2      LYS  15  -1.040   9.169  -0.928
  106    HG3  LYS  15           HG3      LYS  15   0.650   9.548  -1.241
  107    HD2  LYS  15           HD2      LYS  15  -1.033   7.822  -3.050
  108    HD3  LYS  15           HD3      LYS  15  -0.852   9.564  -3.261
  109    HE2  LYS  15           HE2      LYS  15   1.401   7.558  -3.263
  110    HE3  LYS  15           HE3      LYS  15   0.677   8.278  -4.698
  111    HZ1  LYS  15           HZ1      LYS  15   2.119   9.741  -2.555
  112    HZ2  LYS  15           HZ2      LYS  15   1.389  10.458  -3.898
  113    HZ3  LYS  15           HZ3      LYS  15   2.705   9.417  -4.106
  114    HA   PRO  16           HA       PRO  16  -0.562   5.001  -4.413
  115    HB2  PRO  16           HB2      PRO  16   0.729   2.601  -4.353
  116    HB3  PRO  16           HB3      PRO  16   1.553   4.154  -4.493
  117    HG2  PRO  16           HG2      PRO  16   1.130   2.440  -2.086
  118    HG3  PRO  16           HG3      PRO  16   2.576   3.341  -2.579
  119    HD2  PRO  16           HD2      PRO  16   0.896   4.266  -0.674
  120    HD3  PRO  16           HD3      PRO  16   1.756   5.348  -1.779
  121    H    CYS  17           H        CYS  17  -1.300   2.758  -1.752
  122    HA   CYS  17           HA       CYS  17  -2.994   1.190  -3.469
  123    HB2  CYS  17           HB2      CYS  17  -1.838   0.957  -0.813
  124    HB3  CYS  17           HB3      CYS  17  -3.512   0.446  -0.865
  125    H    LYS  18           H        LYS  18  -3.258   3.898  -1.366
  126    HA   LYS  18           HA       LYS  18  -6.089   3.789  -1.012
  127    HB2  LYS  18           HB2      LYS  18  -4.535   5.109   0.435
  128    HB3  LYS  18           HB3      LYS  18  -4.247   6.190  -0.920
  129    HG2  LYS  18           HG2      LYS  18  -5.851   7.148   0.622
  130    HG3  LYS  18           HG3      LYS  18  -6.604   6.808  -0.939
  131    HD2  LYS  18           HD2      LYS  18  -7.512   4.717  -0.019
  132    HD3  LYS  18           HD3      LYS  18  -6.807   5.117   1.549
  133    HE2  LYS  18           HE2      LYS  18  -8.198   7.045   1.760
  134    HE3  LYS  18           HE3      LYS  18  -8.767   6.882   0.100
  135    HZ1  LYS  18           HZ1      LYS  18 -10.390   6.084   1.718
  136    HZ2  LYS  18           HZ2      LYS  18  -9.284   4.934   2.276
  137    HZ3  LYS  18           HZ3      LYS  18  -9.872   4.843   0.691
  138    H    LYS  19           H        LYS  19  -3.863   5.224  -3.298
  139    HA   LYS  19           HA       LYS  19  -5.773   6.491  -4.959
  140    HB2  LYS  19           HB2      LYS  19  -3.324   6.948  -4.997
  141    HB3  LYS  19           HB3      LYS  19  -3.063   5.355  -5.691
  142    HG2  LYS  19           HG2      LYS  19  -2.961   7.020  -7.419
  143    HG3  LYS  19           HG3      LYS  19  -4.394   6.018  -7.654
  144    HD2  LYS  19           HD2      LYS  19  -5.823   7.717  -6.817
  145    HD3  LYS  19           HD3      LYS  19  -4.460   8.662  -6.215
  146    HE2  LYS  19           HE2      LYS  19  -5.098   8.101  -9.108
  147    HE3  LYS  19           HE3      LYS  19  -5.364   9.626  -8.265
  148    HZ1  LYS  19           HZ1      LYS  19  -2.758   8.346  -8.874
  149    HZ2  LYS  19           HZ2      LYS  19  -2.923   9.684  -7.855
  150    HZ3  LYS  19           HZ3      LYS  19  -3.351   9.808  -9.484
  151    H    ALA  20           H        ALA  20  -4.423   3.255  -4.796
  152    HA   ALA  20           HA       ALA  20  -5.486   2.253  -7.208
  153    HB1  ALA  20           HB1      ALA  20  -3.669   1.170  -5.869
  154    HB2  ALA  20           HB2      ALA  20  -4.962   0.071  -6.356
  155    HB3  ALA  20           HB3      ALA  20  -4.900   0.677  -4.702
  156    H    GLY  21           H        GLY  21  -6.691   2.161  -3.867
  157    HA2  GLY  21           HA2      GLY  21  -9.194   2.779  -3.940
  158    HA3  GLY  21           HA3      GLY  21  -9.312   1.317  -4.901
  159    H    MET  22           H        MET  22  -7.008   1.372  -2.342
  160    HA   MET  22           HA       MET  22  -8.776  -0.407  -0.808
  161    HB2  MET  22           HB2      MET  22  -5.761  -0.339  -0.951
  162    HB3  MET  22           HB3      MET  22  -6.666  -1.325   0.188
  163    HG2  MET  22           HG2      MET  22  -6.109  -2.765  -1.562
  164    HG3  MET  22           HG3      MET  22  -7.803  -2.353  -1.821
  165    HE1  MET  22           HE1      MET  22  -5.999  -3.682  -4.074
  166    HE2  MET  22           HE2      MET  22  -6.486  -2.725  -5.474
  167    HE3  MET  22           HE3      MET  22  -7.692  -3.239  -4.293
  168    H    ARG  23           H        ARG  23  -7.622  -0.483   1.636
  169    HA   ARG  23           HA       ARG  23  -8.169   2.271   2.487
  170    HB2  ARG  23           HB2      ARG  23  -8.246  -0.353   3.956
  171    HB3  ARG  23           HB3      ARG  23  -8.359   1.189   4.791
  172    HG2  ARG  23           HG2      ARG  23 -10.282   1.687   3.165
  173    HG3  ARG  23           HG3      ARG  23 -10.267  -0.051   2.866
  174    HD2  ARG  23           HD2      ARG  23 -10.404   1.063   5.642
  175    HD3  ARG  23           HD3      ARG  23 -11.853   0.836   4.670
  176    HE   ARG  23           HE       ARG  23 -10.623  -1.575   4.537
  177   HH11  ARG  23          HH11      ARG  23 -11.581   0.513   7.174
  178   HH12  ARG  23          HH12      ARG  23 -11.875  -0.795   8.274
  179   HH21  ARG  23          HH21      ARG  23 -10.990  -3.292   5.975
  180   HH22  ARG  23          HH22      ARG  23 -11.533  -2.968   7.590
  181    H    PHE  24           H        PHE  24  -5.933  -0.319   3.442
  182    HA   PHE  24           HA       PHE  24  -4.133   1.752   4.519
  183    HB2  PHE  24           HB2      PHE  24  -3.821  -1.137   5.216
  184    HB3  PHE  24           HB3      PHE  24  -3.558   0.292   6.217
  185    HD1  PHE  24           HD2      PHE  24  -5.511   1.420   7.285
  186    HD2  PHE  24           HD1      PHE  24  -5.881  -2.186   5.088
  187    HE1  PHE  24           HE2      PHE  24  -7.745   1.056   8.262
  188    HE2  PHE  24           HE1      PHE  24  -8.109  -2.563   6.043
  189    HZ   PHE  24           HZ       PHE  24  -9.042  -0.942   7.649
  190    H    GLY  25           H        GLY  25  -1.885  -0.015   4.752
  191    HA2  GLY  25           HA2      GLY  25  -1.279  -1.176   2.216
  192    HA3  GLY  25           HA3      GLY  25  -0.528   0.403   2.400
  193    H    LYS  26           H        LYS  26   0.492  -2.448   2.292
  194    HA   LYS  26           HA       LYS  26   2.291  -2.190   4.597
  195    HB2  LYS  26           HB2      LYS  26   1.030  -4.710   3.515
  196    HB3  LYS  26           HB3      LYS  26   2.431  -4.718   4.575
  197    HG2  LYS  26           HG2      LYS  26   1.144  -3.628   6.319
  198    HG3  LYS  26           HG3      LYS  26  -0.264  -3.561   5.257
  199    HD2  LYS  26           HD2      LYS  26  -0.419  -5.427   6.836
  200    HD3  LYS  26           HD3      LYS  26  -0.325  -5.998   5.170
  201    HE2  LYS  26           HE2      LYS  26   2.038  -6.484   5.448
  202    HE3  LYS  26           HE3      LYS  26   1.994  -5.847   7.090
  203    HZ1  LYS  26           HZ1      LYS  26   0.441  -7.608   7.678
  204    HZ2  LYS  26           HZ2      LYS  26   1.888  -8.247   7.084
  205    HZ3  LYS  26           HZ3      LYS  26   0.511  -8.220   6.103
  206    H    CYS  27           H        CYS  27   4.314  -3.530   4.215
  207    HA   CYS  27           HA       CYS  27   5.190  -2.925   1.475
  208    HB2  CYS  27           HB2      CYS  27   6.281  -1.627   3.287
  209    HB3  CYS  27           HB3      CYS  27   6.857  -3.134   3.990
  210    H    ILE  28           H        ILE  28   5.214  -4.717   0.268
  211    HA   ILE  28           HA       ILE  28   6.459  -7.108   1.425
  212    HB   ILE  28           HB       ILE  28   4.342  -6.788  -0.716
  213   HG12  ILE  28          HG12      ILE  28   4.468  -8.046   2.003
  214   HG13  ILE  28          HG13      ILE  28   3.379  -6.798   1.417
  215   HG21  ILE  28          HG21      ILE  28   4.385  -9.155  -1.131
  216   HG22  ILE  28          HG22      ILE  28   5.710  -9.375   0.013
  217   HG23  ILE  28          HG23      ILE  28   5.976  -8.479  -1.483
  218   HD11  ILE  28          HD11      ILE  28   2.343  -8.480  -0.071
  219   HD12  ILE  28          HD12      ILE  28   2.159  -8.832   1.646
  220   HD13  ILE  28          HD13      ILE  28   3.351  -9.712   0.687
  221    H    ASN  29           H        ASN  29   7.573  -8.390  -0.550
  222    HA   ASN  29           HA       ASN  29   9.935  -7.194  -1.027
  223    HB2  ASN  29           HB2      ASN  29   8.679  -8.946  -3.140
  224    HB3  ASN  29           HB3      ASN  29  10.388  -8.778  -2.757
  225   HD21  ASN  29          HD21      ASN  29   7.423 -10.301  -1.970
  226   HD22  ASN  29          HD22      ASN  29   8.030 -11.352  -0.735
  227    H    GLY  30           H        GLY  30   7.341  -7.196  -3.477
  228    HA2  GLY  30           HA2      GLY  30   8.150  -4.464  -4.179
  229    HA3  GLY  30           HA3      GLY  30   8.059  -5.664  -5.464
  230    H    LYS  31           H        LYS  31   5.879  -5.800  -2.748
  231    HA   LYS  31           HA       LYS  31   3.707  -5.124  -4.600
  232    HB2  LYS  31           HB2      LYS  31   3.680  -7.462  -4.502
  233    HB3  LYS  31           HB3      LYS  31   4.114  -7.489  -2.802
  234    HG2  LYS  31           HG2      LYS  31   1.867  -6.492  -2.329
  235    HG3  LYS  31           HG3      LYS  31   1.459  -6.816  -4.018
  236    HD2  LYS  31           HD2      LYS  31   2.450  -8.892  -2.080
  237    HD3  LYS  31           HD3      LYS  31   0.741  -8.607  -2.426
  238    HE2  LYS  31           HE2      LYS  31   1.092  -9.192  -4.753
  239    HE3  LYS  31           HE3      LYS  31   2.823  -9.374  -4.475
  240    HZ1  LYS  31           HZ1      LYS  31   2.350 -11.203  -2.970
  241    HZ2  LYS  31           HZ2      LYS  31   1.700 -11.510  -4.501
  242    HZ3  LYS  31           HZ3      LYS  31   0.690 -11.024  -3.238
  243    H    CYS  32           H        CYS  32   2.264  -3.701  -3.806
  244    HA   CYS  32           HA       CYS  32   2.466  -2.923  -1.012
  245    HB2  CYS  32           HB2      CYS  32   2.026  -1.333  -3.066
  246    HB3  CYS  32           HB3      CYS  32   0.363  -1.874  -2.872
  247    H    ASP  33           H        ASP  33   1.725  -4.768   0.033
  248    HA   ASP  33           HA       ASP  33  -0.835  -5.895  -0.609
  249    HB2  ASP  33           HB2      ASP  33   0.659  -7.432   0.329
  250    HB3  ASP  33           HB3      ASP  33   1.165  -6.325   1.597
  251    H    CYS  34           H        CYS  34  -2.571  -4.711  -0.316
  252    HA   CYS  34           HA       CYS  34  -2.820  -3.180   2.186
  253    HB2  CYS  34           HB2      CYS  34  -4.089  -1.494   0.741
  254    HB3  CYS  34           HB3      CYS  34  -2.339  -1.540   0.576
  255    H    THR  35           H        THR  35  -4.851  -3.099   3.110
  256    HA   THR  35           HA       THR  35  -6.666  -5.155   2.121
  257    HB   THR  35           HB       THR  35  -6.741  -3.665   4.753
  258    HG1  THR  35           HG1      THR  35  -5.170  -5.712   3.888
  259   HG21  THR  35          HG21      THR  35  -8.887  -4.680   3.916
  260   HG22  THR  35          HG22      THR  35  -8.318  -5.306   5.468
  261   HG23  THR  35          HG23      THR  35  -8.085  -6.252   3.999
  262    HA   PRO  36           HA       PRO  36  -9.121  -1.825   0.584
  263    HB2  PRO  36           HB2      PRO  36 -10.935  -3.257  -0.689
  264    HB3  PRO  36           HB3      PRO  36  -9.257  -3.325  -1.202
  265    HG2  PRO  36           HG2      PRO  36 -10.788  -5.268   0.487
  266    HG3  PRO  36           HG3      PRO  36  -9.688  -5.590  -0.868
  267    HD2  PRO  36           HD2      PRO  36  -8.959  -5.710   1.788
  268    HD3  PRO  36           HD3      PRO  36  -7.829  -5.419   0.452
  269    H    LYS  37           H        LYS  37 -11.931  -2.176   0.282
  270    HA   LYS  37           HA       LYS  37 -12.769  -1.728   3.021
  271    HB2  LYS  37           HB2      LYS  37 -14.325  -1.463   0.446
  272    HB3  LYS  37           HB3      LYS  37 -14.895  -0.980   2.032
  273    HG2  LYS  37           HG2      LYS  37 -14.222   1.014   1.053
  274    HG3  LYS  37           HG3      LYS  37 -12.856   0.575   2.077
  275    HD2  LYS  37           HD2      LYS  37 -11.664  -0.306   0.155
  276    HD3  LYS  37           HD3      LYS  37 -13.048   0.025  -0.885
  277    HE2  LYS  37           HE2      LYS  37 -11.397   2.073   0.592
  278    HE3  LYS  37           HE3      LYS  37 -11.332   1.736  -1.138
  279    HZ1  LYS  37           HZ1      LYS  37 -12.676   3.641  -0.821
  280    HZ2  LYS  37           HZ2      LYS  37 -13.597   2.896   0.384
  281    HZ3  LYS  37           HZ3      LYS  37 -13.723   2.374  -1.219
  Start of MODEL    7
    1    H1   VAL   1           H1       VAL   1  -6.654  -8.531  -3.762
    2    H2   VAL   1           H2       VAL   1  -5.210  -9.228  -3.222
    3    H3   VAL   1           H3       VAL   1  -5.432  -8.914  -4.868
    4    HA   VAL   1           HA       VAL   1  -5.433  -6.567  -4.500
    5    HB   VAL   1           HB       VAL   1  -4.981  -5.606  -2.315
    6   HG11  VAL   1          HG11      VAL   1  -7.084  -6.001  -1.235
    7   HG12  VAL   1          HG12      VAL   1  -7.304  -7.501  -2.134
    8   HG13  VAL   1          HG13      VAL   1  -7.314  -5.954  -2.983
    9   HG21  VAL   1          HG21      VAL   1  -4.907  -8.459  -1.429
   10   HG22  VAL   1          HG22      VAL   1  -5.185  -7.142  -0.297
   11   HG23  VAL   1          HG23      VAL   1  -3.680  -7.218  -1.214
   12    H    GLY   2           H        GLY   2  -3.341  -5.456  -3.110
   13    HA2  GLY   2           HA2      GLY   2  -0.985  -5.644  -2.811
   14    HA3  GLY   2           HA3      GLY   2  -1.009  -7.091  -3.810
   15    H    ILE   3           H        ILE   3  -0.052  -3.945  -3.782
   16    HA   ILE   3           HA       ILE   3  -0.793  -3.492  -6.581
   17    HB   ILE   3           HB       ILE   3  -0.430  -1.195  -6.242
   18   HG12  ILE   3          HG12      ILE   3   0.916  -1.945  -3.641
   19   HG13  ILE   3          HG13      ILE   3   1.719  -1.346  -5.084
   20   HG21  ILE   3          HG21      ILE   3  -1.806  -0.688  -4.235
   21   HG22  ILE   3          HG22      ILE   3  -1.646  -2.371  -3.742
   22   HG23  ILE   3          HG23      ILE   3  -2.487  -1.966  -5.239
   23   HD11  ILE   3          HD11      ILE   3  -0.261   0.164  -3.432
   24   HD12  ILE   3          HD12      ILE   3   0.571   0.779  -4.853
   25   HD13  ILE   3          HD13      ILE   3   1.481   0.385  -3.394
   26    H    ASN   4           H        ASN   4   0.887  -2.200  -7.774
   27    HA   ASN   4           HA       ASN   4   3.453  -3.621  -7.554
   28    HB2  ASN   4           HB2      ASN   4   2.119  -3.922  -9.674
   29    HB3  ASN   4           HB3      ASN   4   2.308  -2.200  -9.976
   30   HD21  ASN   4          HD21      ASN   4   3.193  -4.545 -11.498
   31   HD22  ASN   4          HD22      ASN   4   4.898  -4.350 -11.706
   32    H    VAL   5           H        VAL   5   4.524  -2.303  -6.163
   33    HA   VAL   5           HA       VAL   5   5.154   0.391  -7.055
   34    HB   VAL   5           HB       VAL   5   3.028   0.226  -5.455
   35   HG11  VAL   5          HG11      VAL   5   3.535   0.471  -3.145
   36   HG12  VAL   5          HG12      VAL   5   5.263   0.334  -3.461
   37   HG13  VAL   5          HG13      VAL   5   4.204  -1.049  -3.736
   38   HG21  VAL   5          HG21      VAL   5   3.511   2.477  -4.637
   39   HG22  VAL   5          HG22      VAL   5   3.948   2.301  -6.337
   40   HG23  VAL   5          HG23      VAL   5   5.201   2.285  -5.098
   41    H    ASP   6           H        ASP   6   6.621   1.343  -5.072
   42    HA   ASP   6           HA       ASP   6   8.478  -0.805  -4.315
   43    HB2  ASP   6           HB2      ASP   6   9.243   1.866  -5.470
   44    HB3  ASP   6           HB3      ASP   6  10.369   0.741  -4.727
   45    H    CYS   7           H        CYS   7   8.221  -0.869  -2.226
   46    HA   CYS   7           HA       CYS   7   7.807   1.581  -0.709
   47    HB2  CYS   7           HB2      CYS   7   7.485  -0.118   1.204
   48    HB3  CYS   7           HB3      CYS   7   6.246   0.005  -0.031
   49    H    LYS   8           H        LYS   8   9.335   2.533   0.450
   50    HA   LYS   8           HA       LYS   8  11.760   1.139   1.193
   51    HB2  LYS   8           HB2      LYS   8  11.721   3.608   0.730
   52    HB3  LYS   8           HB3      LYS   8  10.711   3.814   2.150
   53    HG2  LYS   8           HG2      LYS   8  12.482   2.892   3.542
   54    HG3  LYS   8           HG3      LYS   8  13.516   2.736   2.121
   55    HD2  LYS   8           HD2      LYS   8  13.305   5.192   1.777
   56    HD3  LYS   8           HD3      LYS   8  12.419   5.288   3.299
   57    HE2  LYS   8           HE2      LYS   8  15.249   4.303   2.948
   58    HE3  LYS   8           HE3      LYS   8  14.771   5.868   3.601
   59    HZ1  LYS   8           HZ1      LYS   8  13.652   4.699   5.418
   60    HZ2  LYS   8           HZ2      LYS   8  15.306   4.348   5.371
   61    HZ3  LYS   8           HZ3      LYS   8  14.189   3.218   4.802
   62    H    HIS   9           H        HIS   9   8.611   1.630   2.326
   63    HA   HIS   9           HA       HIS   9   8.875  -0.018   4.604
   64    HB2  HIS   9           HB2      HIS   9   8.154   1.793   6.272
   65    HB3  HIS   9           HB3      HIS   9   9.848   1.780   5.800
   66    HD1  HIS   9           HD1      HIS   9  10.711   3.773   4.448
   67    HD2  HIS   9           HD2      HIS   9   6.679   4.033   5.401
   68    HE1  HIS   9           HE1      HIS   9  10.004   6.070   3.735
   69    HE2  HIS   9           HE2      HIS   9   7.625   6.290   4.554
   70    H    SER  10           H        SER  10   6.764  -0.122   5.825
   71    HA   SER  10           HA       SER  10   4.661  -0.402   3.961
   72    HB2  SER  10           HB2      SER  10   3.285  -0.821   6.061
   73    HB3  SER  10           HB3      SER  10   4.695  -1.854   5.837
   74    HG   SER  10           HG       SER  10   5.079  -1.212   7.820
   75    H    GLY  11           H        GLY  11   5.384   2.060   6.371
   76    HA2  GLY  11           HA2      GLY  11   2.891   3.299   6.500
   77    HA3  GLY  11           HA3      GLY  11   4.418   4.052   6.912
   78    H    GLN  12           H        GLN  12   5.182   3.489   3.923
   79    HA   GLN  12           HA       GLN  12   4.176   6.083   3.074
   80    HB2  GLN  12           HB2      GLN  12   5.865   6.110   1.436
   81    HB3  GLN  12           HB3      GLN  12   6.613   5.372   2.845
   82    HG2  GLN  12           HG2      GLN  12   6.325   3.174   1.878
   83    HG3  GLN  12           HG3      GLN  12   5.505   3.874   0.482
   84   HE21  GLN  12          HE21      GLN  12   6.929   3.250  -1.047
   85   HE22  GLN  12          HE22      GLN  12   8.563   3.821  -1.139
   86    H    CYS  13           H        CYS  13   3.388   2.817   2.650
   87    HA   CYS  13           HA       CYS  13   2.359   3.221  -0.040
   88    HB2  CYS  13           HB2      CYS  13   2.932   0.816   1.611
   89    HB3  CYS  13           HB3      CYS  13   1.682   0.695   0.373
   90    H    LEU  14           H        LEU  14   1.217   4.387   2.486
   91    HA   LEU  14           HA       LEU  14  -1.492   3.391   2.392
   92    HB2  LEU  14           HB2      LEU  14  -0.145   5.728   3.715
   93    HB3  LEU  14           HB3      LEU  14  -1.881   5.642   3.613
   94    HG   LEU  14           HG       LEU  14  -1.200   4.869   5.778
   95   HD11  LEU  14          HD11      LEU  14  -2.024   2.585   4.011
   96   HD12  LEU  14          HD12      LEU  14  -3.102   3.738   4.796
   97   HD13  LEU  14          HD13      LEU  14  -2.154   2.608   5.768
   98   HD21  LEU  14          HD21      LEU  14   0.582   3.032   4.227
   99   HD22  LEU  14          HD22      LEU  14   0.184   2.770   5.925
  100   HD23  LEU  14          HD23      LEU  14   1.047   4.230   5.432
  101    H    LYS  15           H        LYS  15   0.384   6.057   1.181
  102    HA   LYS  15           HA       LYS  15  -1.631   7.527  -0.050
  103    HB2  LYS  15           HB2      LYS  15   0.331   8.681   0.322
  104    HB3  LYS  15           HB3      LYS  15   1.340   7.367  -0.257
  105    HG2  LYS  15           HG2      LYS  15   0.628   7.852  -2.539
  106    HG3  LYS  15           HG3      LYS  15  -0.324   9.214  -1.948
  107    HD2  LYS  15           HD2      LYS  15   1.836   9.967  -2.811
  108    HD3  LYS  15           HD3      LYS  15   1.716  10.257  -1.075
  109    HE2  LYS  15           HE2      LYS  15   3.049   8.271  -0.632
  110    HE3  LYS  15           HE3      LYS  15   3.124   7.917  -2.357
  111    HZ1  LYS  15           HZ1      LYS  15   5.143   8.978  -1.634
  112    HZ2  LYS  15           HZ2      LYS  15   4.283  10.291  -1.004
  113    HZ3  LYS  15           HZ3      LYS  15   4.307  10.019  -2.671
  114    HA   PRO  16           HA       PRO  16  -0.626   5.473  -4.252
  115    HB2  PRO  16           HB2      PRO  16   0.845   3.192  -4.351
  116    HB3  PRO  16           HB3      PRO  16   1.558   4.803  -4.472
  117    HG2  PRO  16           HG2      PRO  16   1.426   2.952  -2.132
  118    HG3  PRO  16           HG3      PRO  16   2.747   4.013  -2.656
  119    HD2  PRO  16           HD2      PRO  16   1.049   4.645  -0.614
  120    HD3  PRO  16           HD3      PRO  16   1.856   5.858  -1.625
  121    H    CYS  17           H        CYS  17  -1.035   3.378  -1.494
  122    HA   CYS  17           HA       CYS  17  -2.564   1.389  -2.859
  123    HB2  CYS  17           HB2      CYS  17  -1.377   0.828  -0.816
  124    HB3  CYS  17           HB3      CYS  17  -2.298   2.027   0.083
  125    H    LYS  18           H        LYS  18  -3.251   4.377  -1.185
  126    HA   LYS  18           HA       LYS  18  -6.057   4.017  -0.972
  127    HB2  LYS  18           HB2      LYS  18  -4.529   5.777   0.170
  128    HB3  LYS  18           HB3      LYS  18  -4.730   6.695  -1.314
  129    HG2  LYS  18           HG2      LYS  18  -6.364   7.536   0.128
  130    HG3  LYS  18           HG3      LYS  18  -7.233   6.441  -0.949
  131    HD2  LYS  18           HD2      LYS  18  -8.004   6.066   1.293
  132    HD3  LYS  18           HD3      LYS  18  -7.046   4.672   0.794
  133    HE2  LYS  18           HE2      LYS  18  -5.126   5.532   2.028
  134    HE3  LYS  18           HE3      LYS  18  -6.046   6.962   2.487
  135    HZ1  LYS  18           HZ1      LYS  18  -6.035   5.404   4.285
  136    HZ2  LYS  18           HZ2      LYS  18  -6.604   4.160   3.293
  137    HZ3  LYS  18           HZ3      LYS  18  -7.603   5.479   3.656
  138    H    LYS  19           H        LYS  19  -3.901   5.313  -3.406
  139    HA   LYS  19           HA       LYS  19  -5.948   6.159  -5.206
  140    HB2  LYS  19           HB2      LYS  19  -3.581   7.023  -5.165
  141    HB3  LYS  19           HB3      LYS  19  -3.070   5.483  -5.841
  142    HG2  LYS  19           HG2      LYS  19  -4.421   5.892  -7.825
  143    HG3  LYS  19           HG3      LYS  19  -4.965   7.424  -7.143
  144    HD2  LYS  19           HD2      LYS  19  -2.597   8.173  -7.076
  145    HD3  LYS  19           HD3      LYS  19  -2.141   6.679  -7.896
  146    HE2  LYS  19           HE2      LYS  19  -2.317   8.464  -9.511
  147    HE3  LYS  19           HE3      LYS  19  -3.615   7.301  -9.775
  148    HZ1  LYS  19           HZ1      LYS  19  -3.859   9.913  -8.383
  149    HZ2  LYS  19           HZ2      LYS  19  -5.109   8.787  -8.557
  150    HZ3  LYS  19           HZ3      LYS  19  -4.456   9.537  -9.922
  151    H    ALA  20           H        ALA  20  -4.222   3.202  -4.588
  152    HA   ALA  20           HA       ALA  20  -4.891   1.795  -6.936
  153    HB1  ALA  20           HB1      ALA  20  -3.175   1.107  -5.220
  154    HB2  ALA  20           HB2      ALA  20  -4.250  -0.180  -5.772
  155    HB3  ALA  20           HB3      ALA  20  -4.519   0.581  -4.204
  156    H    GLY  21           H        GLY  21  -6.550   2.277  -3.871
  157    HA2  GLY  21           HA2      GLY  21  -9.014   2.577  -4.211
  158    HA3  GLY  21           HA3      GLY  21  -8.950   1.059  -5.091
  159    H    MET  22           H        MET  22  -6.865   1.069  -2.427
  160    HA   MET  22           HA       MET  22  -8.843  -0.514  -0.932
  161    HB2  MET  22           HB2      MET  22  -5.824  -0.666  -0.877
  162    HB3  MET  22           HB3      MET  22  -6.889  -1.598   0.166
  163    HG2  MET  22           HG2      MET  22  -6.300  -3.064  -1.548
  164    HG3  MET  22           HG3      MET  22  -7.921  -2.514  -1.967
  165    HE1  MET  22           HE1      MET  22  -6.280  -2.954  -5.490
  166    HE2  MET  22           HE2      MET  22  -7.654  -3.358  -4.461
  167    HE3  MET  22           HE3      MET  22  -6.049  -3.971  -4.068
  168    H    ARG  23           H        ARG  23  -7.821  -0.601   1.574
  169    HA   ARG  23           HA       ARG  23  -8.213   2.189   2.354
  170    HB2  ARG  23           HB2      ARG  23  -8.427  -0.390   3.901
  171    HB3  ARG  23           HB3      ARG  23  -8.500   1.184   4.680
  172    HG2  ARG  23           HG2      ARG  23 -10.392   1.710   3.064
  173    HG3  ARG  23           HG3      ARG  23 -10.404  -0.015   2.709
  174    HD2  ARG  23           HD2      ARG  23 -10.642   1.066   5.503
  175    HD3  ARG  23           HD3      ARG  23 -12.041   0.786   4.468
  176    HE   ARG  23           HE       ARG  23 -10.679  -1.575   4.409
  177   HH11  ARG  23          HH11      ARG  23 -12.021   0.434   6.943
  178   HH12  ARG  23          HH12      ARG  23 -12.313  -0.899   8.014
  179   HH21  ARG  23          HH21      ARG  23 -11.070  -3.319   5.800
  180   HH22  ARG  23          HH22      ARG  23 -11.775  -3.040   7.359
  181    H    PHE  24           H        PHE  24  -6.152  -0.494   3.445
  182    HA   PHE  24           HA       PHE  24  -4.101   1.506   4.157
  183    HB2  PHE  24           HB2      PHE  24  -3.853  -1.015   5.586
  184    HB3  PHE  24           HB3      PHE  24  -3.903   0.627   6.226
  185    HD1  PHE  24           HD1      PHE  24  -6.007  -2.103   4.970
  186    HD2  PHE  24           HD2      PHE  24  -5.807   1.370   7.384
  187    HE1  PHE  24           HE1      PHE  24  -8.256  -2.587   5.811
  188    HE2  PHE  24           HE2      PHE  24  -8.066   0.907   8.249
  189    HZ   PHE  24           HZ       PHE  24  -9.296  -1.078   7.466
  190    H    GLY  25           H        GLY  25  -1.879   0.632   4.148
  191    HA2  GLY  25           HA2      GLY  25  -1.515  -1.568   2.246
  192    HA3  GLY  25           HA3      GLY  25  -0.833   0.004   1.859
  193    H    LYS  26           H        LYS  26   0.418  -2.632   2.367
  194    HA   LYS  26           HA       LYS  26   2.351  -1.733   4.382
  195    HB2  LYS  26           HB2      LYS  26   1.087  -4.468   4.186
  196    HB3  LYS  26           HB3      LYS  26   2.555  -4.150   5.096
  197    HG2  LYS  26           HG2      LYS  26   1.369  -2.594   6.522
  198    HG3  LYS  26           HG3      LYS  26  -0.108  -2.836   5.588
  199    HD2  LYS  26           HD2      LYS  26  -0.220  -4.151   7.607
  200    HD3  LYS  26           HD3      LYS  26  -0.062  -5.232   6.223
  201    HE2  LYS  26           HE2      LYS  26   2.315  -5.480   6.670
  202    HE3  LYS  26           HE3      LYS  26   2.195  -4.358   8.023
  203    HZ1  LYS  26           HZ1      LYS  26   0.798  -6.973   7.831
  204    HZ2  LYS  26           HZ2      LYS  26   0.726  -5.903   9.136
  205    HZ3  LYS  26           HZ3      LYS  26   2.184  -6.666   8.752
  206    H    CYS  27           H        CYS  27   4.388  -3.134   4.222
  207    HA   CYS  27           HA       CYS  27   5.038  -3.239   1.353
  208    HB2  CYS  27           HB2      CYS  27   6.260  -1.543   2.644
  209    HB3  CYS  27           HB3      CYS  27   6.854  -2.790   3.733
  210    H    ILE  28           H        ILE  28   5.440  -5.158   0.471
  211    HA   ILE  28           HA       ILE  28   6.302  -7.335   2.252
  212    HB   ILE  28           HB       ILE  28   4.390  -7.380  -0.105
  213   HG12  ILE  28          HG12      ILE  28   4.144  -7.850   2.845
  214   HG13  ILE  28          HG13      ILE  28   3.256  -6.721   1.832
  215   HG21  ILE  28          HG21      ILE  28   4.156  -9.781   0.208
  216   HG22  ILE  28          HG22      ILE  28   5.451  -9.765   1.407
  217   HG23  ILE  28          HG23      ILE  28   5.801  -9.366  -0.276
  218   HD11  ILE  28          HD11      ILE  28   2.110  -8.612   0.769
  219   HD12  ILE  28          HD12      ILE  28   1.827  -8.535   2.507
  220   HD13  ILE  28          HD13      ILE  28   2.962  -9.714   1.849
  221    H    ASN  29           H        ASN  29   7.307  -9.136   0.556
  222    HA   ASN  29           HA       ASN  29   9.758  -7.981  -0.196
  223    HB2  ASN  29           HB2      ASN  29  10.227 -10.273  -1.174
  224    HB3  ASN  29           HB3      ASN  29   9.803 -10.225   0.531
  225   HD21  ASN  29          HD21      ASN  29   7.495  -9.913  -2.115
  226   HD22  ASN  29          HD22      ASN  29   6.691 -11.422  -1.821
  227    H    GLY  30           H        GLY  30   8.271  -6.411  -1.650
  228    HA2  GLY  30           HA2      GLY  30   9.264  -5.906  -3.949
  229    HA3  GLY  30           HA3      GLY  30   8.452  -7.393  -4.415
  230    H    LYS  31           H        LYS  31   6.233  -6.551  -2.413
  231    HA   LYS  31           HA       LYS  31   4.892  -4.766  -4.332
  232    HB2  LYS  31           HB2      LYS  31   2.866  -6.074  -4.055
  233    HB3  LYS  31           HB3      LYS  31   4.179  -7.133  -4.557
  234    HG2  LYS  31           HG2      LYS  31   4.475  -7.902  -2.279
  235    HG3  LYS  31           HG3      LYS  31   3.217  -6.798  -1.727
  236    HD2  LYS  31           HD2      LYS  31   2.342  -9.038  -1.924
  237    HD3  LYS  31           HD3      LYS  31   1.583  -7.990  -3.122
  238    HE2  LYS  31           HE2      LYS  31   3.172  -8.858  -4.813
  239    HE3  LYS  31           HE3      LYS  31   3.814  -9.962  -3.599
  240    HZ1  LYS  31           HZ1      LYS  31   2.192 -11.038  -5.027
  241    HZ2  LYS  31           HZ2      LYS  31   1.014  -9.914  -4.571
  242    HZ3  LYS  31           HZ3      LYS  31   1.642 -10.989  -3.428
  243    H    CYS  32           H        CYS  32   2.977  -3.679  -3.356
  244    HA   CYS  32           HA       CYS  32   3.175  -3.560  -0.438
  245    HB2  CYS  32           HB2      CYS  32   2.560  -1.401  -2.421
  246    HB3  CYS  32           HB3      CYS  32   1.769  -1.346  -0.838
  247    H    ASP  33           H        ASP  33   1.880  -5.035   0.252
  248    HA   ASP  33           HA       ASP  33  -0.601  -5.681  -1.030
  249    HB2  ASP  33           HB2      ASP  33   0.543  -7.504  -0.069
  250    HB3  ASP  33           HB3      ASP  33   0.808  -6.653   1.448
  251    H    CYS  34           H        CYS  34  -2.680  -5.525  -0.031
  252    HA   CYS  34           HA       CYS  34  -2.901  -3.290   1.849
  253    HB2  CYS  34           HB2      CYS  34  -4.114  -3.463  -0.905
  254    HB3  CYS  34           HB3      CYS  34  -4.681  -2.342   0.325
  255    H    THR  35           H        THR  35  -4.990  -3.082   2.835
  256    HA   THR  35           HA       THR  35  -6.798  -5.338   2.305
  257    HB   THR  35           HB       THR  35  -6.603  -3.709   4.849
  258    HG1  THR  35           HG1      THR  35  -5.441  -6.091   4.010
  259   HG21  THR  35          HG21      THR  35  -8.885  -4.598   4.098
  260   HG22  THR  35          HG22      THR  35  -8.335  -5.037   5.723
  261   HG23  THR  35          HG23      THR  35  -8.216  -6.206   4.407
  262    HA   PRO  36           HA       PRO  36  -9.108  -2.022   0.560
  263    HB2  PRO  36           HB2      PRO  36 -11.119  -3.456  -0.439
  264    HB3  PRO  36           HB3      PRO  36  -9.488  -3.589  -1.097
  265    HG2  PRO  36           HG2      PRO  36 -10.919  -5.410   0.793
  266    HG3  PRO  36           HG3      PRO  36  -9.892  -5.815  -0.589
  267    HD2  PRO  36           HD2      PRO  36  -9.047  -5.823   2.027
  268    HD3  PRO  36           HD3      PRO  36  -7.973  -5.616   0.634
  269    H    LYS  37           H        LYS  37 -11.819  -1.962   0.371
  270    HA   LYS  37           HA       LYS  37 -12.538  -1.109   3.015
  271    HB2  LYS  37           HB2      LYS  37 -13.969  -1.039   0.371
  272    HB3  LYS  37           HB3      LYS  37 -14.769  -0.576   1.862
  273    HG2  LYS  37           HG2      LYS  37 -14.035   1.425   0.893
  274    HG3  LYS  37           HG3      LYS  37 -12.890   1.090   2.189
  275    HD2  LYS  37           HD2      LYS  37 -11.322   0.159   0.541
  276    HD3  LYS  37           HD3      LYS  37 -12.467   0.540  -0.747
  277    HE2  LYS  37           HE2      LYS  37 -11.142   2.522   1.100
  278    HE3  LYS  37           HE3      LYS  37 -10.728   2.242  -0.590
  279    HZ1  LYS  37           HZ1      LYS  37 -13.314   3.294   0.430
  280    HZ2  LYS  37           HZ2      LYS  37 -12.967   2.976  -1.196
  281    HZ3  LYS  37           HZ3      LYS  37 -12.119   4.182  -0.371
  Start of MODEL    8
    1    H1   VAL   1           H1       VAL   1  -6.250  -8.972  -3.947
    2    H2   VAL   1           H2       VAL   1  -4.879  -9.351  -3.033
    3    H3   VAL   1           H3       VAL   1  -4.773  -9.262  -4.716
    4    HA   VAL   1           HA       VAL   1  -5.183  -6.935  -4.704
    5    HB   VAL   1           HB       VAL   1  -5.182  -5.735  -2.469
    6   HG11  VAL   1          HG11      VAL   1  -7.548  -5.844  -2.247
    7   HG12  VAL   1          HG12      VAL   1  -7.599  -7.474  -2.921
    8   HG13  VAL   1          HG13      VAL   1  -7.182  -6.107  -3.954
    9   HG21  VAL   1          HG21      VAL   1  -4.421  -7.590  -1.078
   10   HG22  VAL   1          HG22      VAL   1  -5.888  -8.492  -1.459
   11   HG23  VAL   1          HG23      VAL   1  -5.987  -6.999  -0.526
   12    H    GLY   2           H        GLY   2  -3.591  -5.239  -3.483
   13    HA2  GLY   2           HA2      GLY   2  -1.335  -4.974  -2.687
   14    HA3  GLY   2           HA3      GLY   2  -0.994  -6.605  -3.257
   15    H    ILE   3           H        ILE   3  -0.025  -3.691  -3.876
   16    HA   ILE   3           HA       ILE   3  -0.579  -3.729  -6.768
   17    HB   ILE   3           HB       ILE   3  -0.216  -1.359  -6.780
   18   HG12  ILE   3          HG12      ILE   3   0.553  -1.702  -3.878
   19   HG13  ILE   3          HG13      ILE   3   1.628  -1.247  -5.190
   20   HG21  ILE   3          HG21      ILE   3  -1.988  -0.639  -5.160
   21   HG22  ILE   3          HG22      ILE   3  -1.955  -2.268  -4.490
   22   HG23  ILE   3          HG23      ILE   3  -2.437  -2.013  -6.167
   23   HD11  ILE   3          HD11      ILE   3  -0.591   0.349  -3.991
   24   HD12  ILE   3          HD12      ILE   3   0.216   0.804  -5.487
   25   HD13  ILE   3          HD13      ILE   3   1.130   0.712  -3.979
   26    H    ASN   4           H        ASN   4   1.245  -2.302  -7.883
   27    HA   ASN   4           HA       ASN   4   3.707  -3.827  -7.412
   28    HB2  ASN   4           HB2      ASN   4   2.357  -2.787  -9.860
   29    HB3  ASN   4           HB3      ASN   4   4.105  -2.939  -9.869
   30   HD21  ASN   4          HD21      ASN   4   5.035  -4.980  -9.724
   31   HD22  ASN   4          HD22      ASN   4   4.127  -6.421 -10.029
   32    H    VAL   5           H        VAL   5   3.157  -1.511  -5.905
   33    HA   VAL   5           HA       VAL   5   4.992   0.472  -7.021
   34    HB   VAL   5           HB       VAL   5   2.626   0.715  -5.509
   35   HG11  VAL   5          HG11      VAL   5   3.763   0.428  -3.440
   36   HG12  VAL   5          HG12      VAL   5   3.380   2.137  -3.620
   37   HG13  VAL   5          HG13      VAL   5   5.023   1.568  -3.907
   38   HG21  VAL   5          HG21      VAL   5   3.053   3.127  -5.721
   39   HG22  VAL   5          HG22      VAL   5   3.316   2.248  -7.230
   40   HG23  VAL   5          HG23      VAL   5   4.694   2.767  -6.261
   41    H    ASP   6           H        ASP   6   6.659   1.332  -5.527
   42    HA   ASP   6           HA       ASP   6   7.893  -0.948  -4.146
   43    HB2  ASP   6           HB2      ASP   6   9.201   1.547  -5.233
   44    HB3  ASP   6           HB3      ASP   6  10.035   0.197  -4.478
   45    H    CYS   7           H        CYS   7   7.660  -0.894  -2.040
   46    HA   CYS   7           HA       CYS   7   7.358   1.649  -0.665
   47    HB2  CYS   7           HB2      CYS   7   6.991   0.161   1.353
   48    HB3  CYS   7           HB3      CYS   7   5.790   0.055   0.082
   49    H    LYS   8           H        LYS   8   8.958   2.634   0.350
   50    HA   LYS   8           HA       LYS   8  11.370   1.227   1.098
   51    HB2  LYS   8           HB2      LYS   8  10.420   3.965   1.978
   52    HB3  LYS   8           HB3      LYS   8  12.057   3.335   2.097
   53    HG2  LYS   8           HG2      LYS   8  10.573   3.881  -0.462
   54    HG3  LYS   8           HG3      LYS   8  11.809   4.918   0.252
   55    HD2  LYS   8           HD2      LYS   8  13.446   3.105   0.022
   56    HD3  LYS   8           HD3      LYS   8  12.207   2.084  -0.706
   57    HE2  LYS   8           HE2      LYS   8  13.681   3.131  -2.383
   58    HE3  LYS   8           HE3      LYS   8  11.993   3.602  -2.573
   59    HZ1  LYS   8           HZ1      LYS   8  12.482   5.686  -1.461
   60    HZ2  LYS   8           HZ2      LYS   8  13.490   5.489  -2.802
   61    HZ3  LYS   8           HZ3      LYS   8  14.097   5.229  -1.245
   62    H    HIS   9           H        HIS   9   8.250   1.826   2.305
   63    HA   HIS   9           HA       HIS   9   8.570   0.073   4.498
   64    HB2  HIS   9           HB2      HIS   9   7.917   1.788   6.278
   65    HB3  HIS   9           HB3      HIS   9   9.598   1.785   5.762
   66    HD1  HIS   9           HD1      HIS   9  10.434   3.854   4.479
   67    HD2  HIS   9           HD2      HIS   9   6.449   4.074   5.632
   68    HE1  HIS   9           HE1      HIS   9   9.729   6.212   4.024
   69    HE2  HIS   9           HE2      HIS   9   7.388   6.381   4.935
   70    H    SER  10           H        SER  10   6.496  -0.033   5.814
   71    HA   SER  10           HA       SER  10   4.359  -0.384   4.054
   72    HB2  SER  10           HB2      SER  10   3.004  -0.598   6.209
   73    HB3  SER  10           HB3      SER  10   4.396  -1.670   6.047
   74    HG   SER  10           HG       SER  10   3.905   0.252   7.897
   75    H    GLY  11           H        GLY  11   5.139   2.289   6.191
   76    HA2  GLY  11           HA2      GLY  11   2.752   3.667   6.237
   77    HA3  GLY  11           HA3      GLY  11   4.331   4.421   6.351
   78    H    GLN  12           H        GLN  12   5.197   3.697   3.671
   79    HA   GLN  12           HA       GLN  12   3.660   5.755   2.301
   80    HB2  GLN  12           HB2      GLN  12   5.508   5.581   0.559
   81    HB3  GLN  12           HB3      GLN  12   5.912   6.256   2.124
   82    HG2  GLN  12           HG2      GLN  12   7.160   4.426   2.746
   83    HG3  GLN  12           HG3      GLN  12   6.389   3.372   1.560
   84   HE21  GLN  12          HE21      GLN  12   8.594   6.085   1.941
   85   HE22  GLN  12          HE22      GLN  12   9.455   5.819   0.464
   86    H    CYS  13           H        CYS  13   3.023   2.684   2.584
   87    HA   CYS  13           HA       CYS  13   2.458   2.177  -0.228
   88    HB2  CYS  13           HB2      CYS  13   1.949   0.607   2.297
   89    HB3  CYS  13           HB3      CYS  13   1.247   0.142   0.755
   90    H    LEU  14           H        LEU  14   1.064   3.574   2.542
   91    HA   LEU  14           HA       LEU  14  -1.659   3.173   2.150
   92    HB2  LEU  14           HB2      LEU  14  -0.061   5.351   3.443
   93    HB3  LEU  14           HB3      LEU  14  -1.789   5.503   3.298
   94    HG   LEU  14           HG       LEU  14  -1.245   4.712   5.498
   95   HD11  LEU  14          HD11      LEU  14  -2.407   2.538   3.788
   96   HD12  LEU  14          HD12      LEU  14  -3.287   3.864   4.545
   97   HD13  LEU  14          HD13      LEU  14  -2.530   2.622   5.543
   98   HD21  LEU  14          HD21      LEU  14   0.930   3.709   4.867
   99   HD22  LEU  14          HD22      LEU  14   0.056   2.327   4.208
  100   HD23  LEU  14          HD23      LEU  14  -0.044   2.696   5.930
  101    H    LYS  15           H        LYS  15   0.451   5.727   0.908
  102    HA   LYS  15           HA       LYS  15  -1.545   7.279  -0.254
  103    HB2  LYS  15           HB2      LYS  15   0.470   8.357   0.143
  104    HB3  LYS  15           HB3      LYS  15   1.419   7.067  -0.579
  105    HG2  LYS  15           HG2      LYS  15   0.604   7.708  -2.772
  106    HG3  LYS  15           HG3      LYS  15  -0.314   9.031  -2.054
  107    HD2  LYS  15           HD2      LYS  15   1.756   9.903  -2.940
  108    HD3  LYS  15           HD3      LYS  15   1.813   9.964  -1.179
  109    HE2  LYS  15           HE2      LYS  15   3.934   9.178  -2.007
  110    HE3  LYS  15           HE3      LYS  15   3.112   7.851  -1.190
  111    HZ1  LYS  15           HZ1      LYS  15   3.352   8.279  -4.113
  112    HZ2  LYS  15           HZ2      LYS  15   2.362   7.103  -3.422
  113    HZ3  LYS  15           HZ3      LYS  15   4.036   7.029  -3.204
  114    HA   PRO  16           HA       PRO  16  -0.643   5.341  -4.519
  115    HB2  PRO  16           HB2      PRO  16   0.759   3.001  -4.676
  116    HB3  PRO  16           HB3      PRO  16   1.481   4.603  -4.847
  117    HG2  PRO  16           HG2      PRO  16   1.511   2.747  -2.536
  118    HG3  PRO  16           HG3      PRO  16   2.743   3.895  -3.077
  119    HD2  PRO  16           HD2      PRO  16   1.045   4.326  -0.952
  120    HD3  PRO  16           HD3      PRO  16   1.854   5.605  -1.873
  121    H    CYS  17           H        CYS  17  -1.072   3.036  -1.855
  122    HA   CYS  17           HA       CYS  17  -2.804   1.328  -3.311
  123    HB2  CYS  17           HB2      CYS  17  -2.034   1.694  -0.452
  124    HB3  CYS  17           HB3      CYS  17  -3.412   0.704  -0.857
  125    H    LYS  18           H        LYS  18  -3.188   4.258  -1.448
  126    HA   LYS  18           HA       LYS  18  -6.014   4.163  -1.248
  127    HB2  LYS  18           HB2      LYS  18  -4.675   5.591   0.176
  128    HB3  LYS  18           HB3      LYS  18  -4.046   6.451  -1.220
  129    HG2  LYS  18           HG2      LYS  18  -6.319   7.279  -1.691
  130    HG3  LYS  18           HG3      LYS  18  -6.887   6.468  -0.227
  131    HD2  LYS  18           HD2      LYS  18  -4.675   8.500  -0.272
  132    HD3  LYS  18           HD3      LYS  18  -6.362   8.909   0.058
  133    HE2  LYS  18           HE2      LYS  18  -6.325   7.367   1.977
  134    HE3  LYS  18           HE3      LYS  18  -4.632   7.010   1.643
  135    HZ1  LYS  18           HZ1      LYS  18  -5.721   9.673   2.362
  136    HZ2  LYS  18           HZ2      LYS  18  -4.098   9.325   2.051
  137    HZ3  LYS  18           HZ3      LYS  18  -4.864   8.650   3.396
  138    H    LYS  19           H        LYS  19  -3.726   5.471  -3.594
  139    HA   LYS  19           HA       LYS  19  -5.668   6.524  -5.371
  140    HB2  LYS  19           HB2      LYS  19  -3.264   7.137  -5.457
  141    HB3  LYS  19           HB3      LYS  19  -2.883   5.507  -5.993
  142    HG2  LYS  19           HG2      LYS  19  -4.076   5.837  -8.048
  143    HG3  LYS  19           HG3      LYS  19  -4.671   7.405  -7.499
  144    HD2  LYS  19           HD2      LYS  19  -2.846   7.757  -9.023
  145    HD3  LYS  19           HD3      LYS  19  -2.324   8.206  -7.400
  146    HE2  LYS  19           HE2      LYS  19  -0.565   6.976  -8.488
  147    HE3  LYS  19           HE3      LYS  19  -1.232   5.997  -7.183
  148    HZ1  LYS  19           HZ1      LYS  19  -0.842   4.741  -9.245
  149    HZ2  LYS  19           HZ2      LYS  19  -1.968   5.710 -10.046
  150    HZ3  LYS  19           HZ3      LYS  19  -2.466   4.713  -8.773
  151    H    ALA  20           H        ALA  20  -4.249   3.365  -4.887
  152    HA   ALA  20           HA       ALA  20  -5.322   2.116  -7.191
  153    HB1  ALA  20           HB1      ALA  20  -3.467   1.181  -5.808
  154    HB2  ALA  20           HB2      ALA  20  -4.770   0.032  -6.121
  155    HB3  ALA  20           HB3      ALA  20  -4.652   0.821  -4.549
  156    H    GLY  21           H        GLY  21  -6.418   2.339  -3.826
  157    HA2  GLY  21           HA2      GLY  21  -8.881   2.944  -3.757
  158    HA3  GLY  21           HA3      GLY  21  -9.095   1.497  -4.725
  159    H    MET  22           H        MET  22  -6.626   1.261  -2.374
  160    HA   MET  22           HA       MET  22  -8.381  -0.511  -0.832
  161    HB2  MET  22           HB2      MET  22  -5.379  -0.413  -1.075
  162    HB3  MET  22           HB3      MET  22  -6.206  -1.399   0.122
  163    HG2  MET  22           HG2      MET  22  -5.729  -2.838  -1.665
  164    HG3  MET  22           HG3      MET  22  -7.450  -2.468  -1.797
  165    HE1  MET  22           HE1      MET  22  -6.469  -2.794  -5.555
  166    HE2  MET  22           HE2      MET  22  -7.601  -3.280  -4.293
  167    HE3  MET  22           HE3      MET  22  -5.912  -3.779  -4.201
  168    H    ARG  23           H        ARG  23  -7.465  -0.716   1.593
  169    HA   ARG  23           HA       ARG  23  -8.114   1.970   2.570
  170    HB2  ARG  23           HB2      ARG  23  -8.313  -0.748   3.863
  171    HB3  ARG  23           HB3      ARG  23  -8.672   0.751   4.706
  172    HG2  ARG  23           HG2      ARG  23 -10.325   1.204   2.818
  173    HG3  ARG  23           HG3      ARG  23 -10.111  -0.494   2.405
  174    HD2  ARG  23           HD2      ARG  23 -10.877   0.411   5.158
  175    HD3  ARG  23           HD3      ARG  23 -12.072   0.072   3.909
  176    HE   ARG  23           HE       ARG  23 -10.655  -2.188   3.904
  177   HH11  ARG  23          HH11      ARG  23 -11.968  -0.313   6.555
  178   HH12  ARG  23          HH12      ARG  23 -12.226  -1.696   7.571
  179   HH21  ARG  23          HH21      ARG  23 -10.978  -3.997   5.234
  180   HH22  ARG  23          HH22      ARG  23 -11.654  -3.799   6.820
  181    H    PHE  24           H        PHE  24  -5.932  -0.693   3.400
  182    HA   PHE  24           HA       PHE  24  -4.304   1.233   4.929
  183    HB2  PHE  24           HB2      PHE  24  -3.966  -1.714   5.249
  184    HB3  PHE  24           HB3      PHE  24  -3.823  -0.433   6.451
  185    HD1  PHE  24           HD2      PHE  24  -5.873   0.516   7.488
  186    HD2  PHE  24           HD1      PHE  24  -5.982  -2.756   4.799
  187    HE1  PHE  24           HE2      PHE  24  -8.175   0.009   8.202
  188    HE2  PHE  24           HE1      PHE  24  -8.277  -3.274   5.491
  189    HZ   PHE  24           HZ       PHE  24  -9.380  -1.892   7.208
  190    H    GLY  25           H        GLY  25  -2.032  -0.548   5.104
  191    HA2  GLY  25           HA2      GLY  25  -1.167  -1.328   2.516
  192    HA3  GLY  25           HA3      GLY  25  -0.550   0.270   2.906
  193    H    LYS  26           H        LYS  26   0.478  -2.698   2.702
  194    HA   LYS  26           HA       LYS  26   2.317  -2.395   4.978
  195    HB2  LYS  26           HB2      LYS  26   0.578  -4.227   5.329
  196    HB3  LYS  26           HB3      LYS  26   1.325  -5.061   3.975
  197    HG2  LYS  26           HG2      LYS  26   3.443  -5.148   5.186
  198    HG3  LYS  26           HG3      LYS  26   2.690  -4.321   6.551
  199    HD2  LYS  26           HD2      LYS  26   1.080  -6.186   6.745
  200    HD3  LYS  26           HD3      LYS  26   1.926  -7.018   5.440
  201    HE2  LYS  26           HE2      LYS  26   2.658  -7.887   7.576
  202    HE3  LYS  26           HE3      LYS  26   3.978  -7.016   6.800
  203    HZ1  LYS  26           HZ1      LYS  26   2.230  -5.912   8.927
  204    HZ2  LYS  26           HZ2      LYS  26   3.547  -5.131   8.218
  205    HZ3  LYS  26           HZ3      LYS  26   3.792  -6.507   9.167
  206    H    CYS  27           H        CYS  27   4.431  -3.325   4.574
  207    HA   CYS  27           HA       CYS  27   5.085  -2.989   1.744
  208    HB2  CYS  27           HB2      CYS  27   6.222  -1.571   3.463
  209    HB3  CYS  27           HB3      CYS  27   6.957  -3.029   4.117
  210    H    ILE  28           H        ILE  28   5.393  -4.716   0.549
  211    HA   ILE  28           HA       ILE  28   6.408  -7.160   1.796
  212    HB   ILE  28           HB       ILE  28   4.534  -6.599  -0.474
  213   HG12  ILE  28          HG12      ILE  28   4.565  -8.283   1.975
  214   HG13  ILE  28          HG13      ILE  28   3.442  -7.011   1.534
  215   HG21  ILE  28          HG21      ILE  28   5.983  -8.016  -1.617
  216   HG22  ILE  28          HG22      ILE  28   4.662  -9.044  -1.078
  217   HG23  ILE  28          HG23      ILE  28   6.209  -9.072  -0.230
  218   HD11  ILE  28          HD11      ILE  28   2.618  -8.506  -0.293
  219   HD12  ILE  28          HD12      ILE  28   2.288  -9.070   1.345
  220   HD13  ILE  28          HD13      ILE  28   3.597  -9.793   0.409
  221    H    ASN  29           H        ASN  29   7.856  -8.433   0.242
  222    HA   ASN  29           HA       ASN  29  10.229  -7.190  -0.073
  223    HB2  ASN  29           HB2      ASN  29  10.894  -8.981  -1.634
  224    HB3  ASN  29           HB3      ASN  29  10.010  -9.599  -0.245
  225   HD21  ASN  29          HD21      ASN  29   9.986  -9.097  -3.670
  226   HD22  ASN  29          HD22      ASN  29   8.580 -10.051  -4.004
  227    H    GLY  30           H        GLY  30   7.722  -7.296  -2.569
  228    HA2  GLY  30           HA2      GLY  30   8.999  -4.951  -3.763
  229    HA3  GLY  30           HA3      GLY  30   8.681  -6.330  -4.804
  230    H    LYS  31           H        LYS  31   6.397  -5.888  -2.289
  231    HA   LYS  31           HA       LYS  31   4.520  -4.754  -4.258
  232    HB2  LYS  31           HB2      LYS  31   3.960  -7.002  -2.311
  233    HB3  LYS  31           HB3      LYS  31   2.775  -6.251  -3.365
  234    HG2  LYS  31           HG2      LYS  31   3.823  -7.153  -5.305
  235    HG3  LYS  31           HG3      LYS  31   5.206  -7.719  -4.360
  236    HD2  LYS  31           HD2      LYS  31   3.759  -9.253  -3.136
  237    HD3  LYS  31           HD3      LYS  31   2.357  -8.664  -4.029
  238    HE2  LYS  31           HE2      LYS  31   4.749  -9.972  -5.313
  239    HE3  LYS  31           HE3      LYS  31   3.286 -10.836  -4.849
  240    HZ1  LYS  31           HZ1      LYS  31   3.427  -8.592  -6.784
  241    HZ2  LYS  31           HZ2      LYS  31   2.021  -9.421  -6.338
  242    HZ3  LYS  31           HZ3      LYS  31   3.248 -10.226  -7.178
  243    H    CYS  32           H        CYS  32   3.085  -3.251  -3.430
  244    HA   CYS  32           HA       CYS  32   3.104  -2.890  -0.532
  245    HB2  CYS  32           HB2      CYS  32   2.153  -1.188  -2.807
  246    HB3  CYS  32           HB3      CYS  32   1.388  -0.993  -1.235
  247    H    ASP  33           H        ASP  33   2.104  -4.756   0.082
  248    HA   ASP  33           HA       ASP  33  -0.435  -5.524  -1.021
  249    HB2  ASP  33           HB2      ASP  33   1.007  -7.266  -0.199
  250    HB3  ASP  33           HB3      ASP  33   1.104  -6.512   1.387
  251    H    CYS  34           H        CYS  34  -2.253  -4.584  -0.565
  252    HA   CYS  34           HA       CYS  34  -2.634  -3.342   2.064
  253    HB2  CYS  34           HB2      CYS  34  -3.406  -2.081  -0.574
  254    HB3  CYS  34           HB3      CYS  34  -3.547  -1.360   1.026
  255    H    THR  35           H        THR  35  -4.748  -3.421   2.840
  256    HA   THR  35           HA       THR  35  -6.389  -5.416   1.494
  257    HB   THR  35           HB       THR  35  -6.723  -4.224   4.254
  258    HG1  THR  35           HG1      THR  35  -4.891  -5.378   4.425
  259   HG21  THR  35          HG21      THR  35  -8.766  -5.223   3.247
  260   HG22  THR  35          HG22      THR  35  -8.203  -6.070   4.692
  261   HG23  THR  35          HG23      THR  35  -7.890  -6.750   3.095
  262    HA   PRO  36           HA       PRO  36  -9.048  -2.188   0.060
  263    HB2  PRO  36           HB2      PRO  36 -10.832  -3.706  -1.201
  264    HB3  PRO  36           HB3      PRO  36  -9.158  -3.644  -1.751
  265    HG2  PRO  36           HG2      PRO  36 -10.516  -5.712  -0.061
  266    HG3  PRO  36           HG3      PRO  36  -9.454  -5.942  -1.462
  267    HD2  PRO  36           HD2      PRO  36  -8.605  -6.103   1.136
  268    HD3  PRO  36           HD3      PRO  36  -7.554  -5.646  -0.217
  269    H    LYS  37           H        LYS  37 -11.794  -2.471  -0.214
  270    HA   LYS  37           HA       LYS  37 -12.707  -1.921   2.430
  271    HB2  LYS  37           HB2      LYS  37 -14.131  -2.226  -0.198
  272    HB3  LYS  37           HB3      LYS  37 -15.023  -2.023   1.298
  273    HG2  LYS  37           HG2      LYS  37 -14.912   0.118   0.427
  274    HG3  LYS  37           HG3      LYS  37 -13.613   0.095   1.619
  275    HD2  LYS  37           HD2      LYS  37 -11.964  -0.195  -0.095
  276    HD3  LYS  37           HD3      LYS  37 -13.214  -0.415  -1.323
  277    HE2  LYS  37           HE2      LYS  37 -13.983   1.889  -0.914
  278    HE3  LYS  37           HE3      LYS  37 -12.684   2.099   0.256
  279    HZ1  LYS  37           HZ1      LYS  37 -12.341   1.530  -2.638
  280    HZ2  LYS  37           HZ2      LYS  37 -11.083   1.705  -1.522
  281    HZ3  LYS  37           HZ3      LYS  37 -12.079   3.023  -1.884
  Start of MODEL    9
    1    H1   VAL   1           H1       VAL   1  -5.429  -8.451  -4.770
    2    H2   VAL   1           H2       VAL   1  -6.670  -8.226  -3.649
    3    H3   VAL   1           H3       VAL   1  -5.201  -8.907  -3.159
    4    HA   VAL   1           HA       VAL   1  -5.560  -6.155  -4.178
    5    HB   VAL   1           HB       VAL   1  -4.954  -5.483  -1.841
    6   HG11  VAL   1          HG11      VAL   1  -7.173  -5.618  -1.016
    7   HG12  VAL   1          HG12      VAL   1  -7.501  -7.085  -1.936
    8   HG13  VAL   1          HG13      VAL   1  -7.300  -5.547  -2.772
    9   HG21  VAL   1          HG21      VAL   1  -3.969  -7.592  -1.112
   10   HG22  VAL   1          HG22      VAL   1  -5.539  -8.384  -1.244
   11   HG23  VAL   1          HG23      VAL   1  -5.289  -7.115  -0.045
   12    H    GLY   2           H        GLY   2  -3.549  -4.906  -3.058
   13    HA2  GLY   2           HA2      GLY   2  -1.194  -4.907  -2.746
   14    HA3  GLY   2           HA3      GLY   2  -1.117  -6.475  -3.539
   15    H    ILE   3           H        ILE   3  -0.088  -3.502  -3.941
   16    HA   ILE   3           HA       ILE   3  -0.996  -3.185  -6.720
   17    HB   ILE   3           HB       ILE   3  -0.545  -0.867  -6.505
   18   HG12  ILE   3          HG12      ILE   3   0.802  -1.548  -3.881
   19   HG13  ILE   3          HG13      ILE   3   1.617  -1.047  -5.356
   20   HG21  ILE   3          HG21      ILE   3  -1.873  -0.260  -4.488
   21   HG22  ILE   3          HG22      ILE   3  -1.758  -1.934  -3.956
   22   HG23  ILE   3          HG23      ILE   3  -2.606  -1.539  -5.450
   23   HD11  ILE   3          HD11      ILE   3  -0.301   0.608  -3.766
   24   HD12  ILE   3          HD12      ILE   3   0.540   1.122  -5.225
   25   HD13  ILE   3          HD13      ILE   3   1.450   0.770  -3.755
   26    H    ASN   4           H        ASN   4   0.732  -1.840  -7.991
   27    HA   ASN   4           HA       ASN   4   3.250  -3.349  -7.837
   28    HB2  ASN   4           HB2      ASN   4   2.114  -3.500 -10.002
   29    HB3  ASN   4           HB3      ASN   4   2.074  -1.744 -10.124
   30   HD21  ASN   4          HD21      ASN   4   3.239  -1.743 -12.039
   31   HD22  ASN   4          HD22      ASN   4   4.934  -2.088 -12.089
   32    H    VAL   5           H        VAL   5   4.419  -2.241  -6.378
   33    HA   VAL   5           HA       VAL   5   5.390   0.377  -7.091
   34    HB   VAL   5           HB       VAL   5   3.118   0.465  -5.641
   35   HG11  VAL   5          HG11      VAL   5   3.577   0.720  -3.300
   36   HG12  VAL   5          HG12      VAL   5   5.264   0.288  -3.559
   37   HG13  VAL   5          HG13      VAL   5   3.993  -0.899  -3.853
   38   HG21  VAL   5          HG21      VAL   5   3.781   2.661  -4.844
   39   HG22  VAL   5          HG22      VAL   5   4.369   2.405  -6.488
   40   HG23  VAL   5          HG23      VAL   5   5.477   2.274  -5.123
   41    H    ASP   6           H        ASP   6   6.843   1.084  -5.011
   42    HA   ASP   6           HA       ASP   6   8.057  -1.303  -3.832
   43    HB2  ASP   6           HB2      ASP   6   9.510   0.757  -5.446
   44    HB3  ASP   6           HB3      ASP   6  10.337  -0.163  -4.201
   45    H    CYS   7           H        CYS   7   7.861  -1.048  -1.800
   46    HA   CYS   7           HA       CYS   7   7.804   1.596  -0.586
   47    HB2  CYS   7           HB2      CYS   7   7.140   0.281   1.471
   48    HB3  CYS   7           HB3      CYS   7   6.013   0.217   0.129
   49    H    LYS   8           H        LYS   8   9.344   2.394   0.706
   50    HA   LYS   8           HA       LYS   8  11.591   0.767   1.542
   51    HB2  LYS   8           HB2      LYS   8  11.834   3.211   1.014
   52    HB3  LYS   8           HB3      LYS   8  10.795   3.568   2.382
   53    HG2  LYS   8           HG2      LYS   8  12.391   2.584   3.893
   54    HG3  LYS   8           HG3      LYS   8  13.446   2.161   2.544
   55    HD2  LYS   8           HD2      LYS   8  13.624   4.571   1.988
   56    HD3  LYS   8           HD3      LYS   8  12.668   4.940   3.424
   57    HE2  LYS   8           HE2      LYS   8  15.333   3.527   3.390
   58    HE3  LYS   8           HE3      LYS   8  15.067   5.210   3.837
   59    HZ1  LYS   8           HZ1      LYS   8  13.895   2.877   5.250
   60    HZ2  LYS   8           HZ2      LYS   8  13.750   4.497   5.703
   61    HZ3  LYS   8           HZ3      LYS   8  15.255   3.736   5.764
   62    H    HIS   9           H        HIS   9   8.476   1.623   2.537
   63    HA   HIS   9           HA       HIS   9   8.515   0.069   4.925
   64    HB2  HIS   9           HB2      HIS   9   7.780   2.059   6.387
   65    HB3  HIS   9           HB3      HIS   9   9.498   1.891   6.053
   66    HD1  HIS   9           HD1      HIS   9  10.619   3.729   4.706
   67    HD2  HIS   9           HD2      HIS   9   6.523   4.270   5.128
   68    HE1  HIS   9           HE1      HIS   9  10.143   6.004   3.759
   69    HE2  HIS   9           HE2      HIS   9   7.706   6.419   4.309
   70    H    SER  10           H        SER  10   6.341   0.145   6.014
   71    HA   SER  10           HA       SER  10   4.365  -0.218   4.012
   72    HB2  SER  10           HB2      SER  10   2.869  -0.601   6.044
   73    HB3  SER  10           HB3      SER  10   4.277  -1.649   5.893
   74    HG   SER  10           HG       SER  10   3.643  -0.166   7.947
   75    H    GLY  11           H        GLY  11   5.070   2.410   6.219
   76    HA2  GLY  11           HA2      GLY  11   2.585   3.679   6.272
   77    HA3  GLY  11           HA3      GLY  11   4.127   4.477   6.510
   78    H    GLN  12           H        GLN  12   5.010   3.693   3.754
   79    HA   GLN  12           HA       GLN  12   3.850   6.018   2.468
   80    HB2  GLN  12           HB2      GLN  12   5.571   5.766   0.795
   81    HB3  GLN  12           HB3      GLN  12   6.292   5.613   2.390
   82    HG2  GLN  12           HG2      GLN  12   6.314   3.194   2.160
   83    HG3  GLN  12           HG3      GLN  12   5.570   3.334   0.568
   84   HE21  GLN  12          HE21      GLN  12   6.787   4.069  -1.150
   85   HE22  GLN  12          HE22      GLN  12   8.516   4.146  -1.088
   86    H    CYS  13           H        CYS  13   3.167   2.727   2.557
   87    HA   CYS  13           HA       CYS  13   2.428   2.345  -0.177
   88    HB2  CYS  13           HB2      CYS  13   1.687   0.835   2.334
   89    HB3  CYS  13           HB3      CYS  13   1.222   0.336   0.715
   90    H    LEU  14           H        LEU  14   0.992   3.802   2.548
   91    HA   LEU  14           HA       LEU  14  -1.713   3.333   2.168
   92    HB2  LEU  14           HB2      LEU  14  -0.115   5.461   3.498
   93    HB3  LEU  14           HB3      LEU  14  -1.824   5.725   3.280
   94    HG   LEU  14           HG       LEU  14  -2.363   3.786   4.616
   95   HD11  LEU  14          HD11      LEU  14  -0.418   2.435   3.883
   96   HD12  LEU  14          HD12      LEU  14  -0.708   2.385   5.622
   97   HD13  LEU  14          HD13      LEU  14   0.600   3.378   4.971
   98   HD21  LEU  14          HD21      LEU  14  -0.275   5.548   5.878
   99   HD22  LEU  14          HD22      LEU  14  -1.390   4.510   6.767
  100   HD23  LEU  14          HD23      LEU  14  -2.011   5.854   5.808
  101    H    LYS  15           H        LYS  15   0.311   5.923   0.814
  102    HA   LYS  15           HA       LYS  15  -1.810   7.363  -0.288
  103    HB2  LYS  15           HB2      LYS  15   0.201   8.530   0.110
  104    HB3  LYS  15           HB3      LYS  15   1.158   7.352  -0.774
  105    HG2  LYS  15           HG2      LYS  15   1.100   9.004  -2.316
  106    HG3  LYS  15           HG3      LYS  15  -0.362   8.127  -2.753
  107    HD2  LYS  15           HD2      LYS  15  -0.342  10.504  -0.904
  108    HD3  LYS  15           HD3      LYS  15  -0.597  10.634  -2.640
  109    HE2  LYS  15           HE2      LYS  15  -2.576   9.189  -2.441
  110    HE3  LYS  15           HE3      LYS  15  -2.319   9.094  -0.700
  111    HZ1  LYS  15           HZ1      LYS  15  -2.859  11.585  -2.217
  112    HZ2  LYS  15           HZ2      LYS  15  -2.642  11.473  -0.546
  113    HZ3  LYS  15           HZ3      LYS  15  -3.986  10.748  -1.275
  114    HA   PRO  16           HA       PRO  16  -0.811   5.353  -4.546
  115    HB2  PRO  16           HB2      PRO  16   0.690   3.070  -4.566
  116    HB3  PRO  16           HB3      PRO  16   1.357   4.684  -4.826
  117    HG2  PRO  16           HG2      PRO  16   1.350   3.009  -2.355
  118    HG3  PRO  16           HG3      PRO  16   2.635   4.041  -3.008
  119    HD2  PRO  16           HD2      PRO  16   1.051   4.807  -0.951
  120    HD3  PRO  16           HD3      PRO  16   1.715   5.958  -2.126
  121    H    CYS  17           H        CYS  17  -1.187   3.351  -1.710
  122    HA   CYS  17           HA       CYS  17  -2.781   1.345  -2.985
  123    HB2  CYS  17           HB2      CYS  17  -1.558   0.928  -0.884
  124    HB3  CYS  17           HB3      CYS  17  -2.583   2.097  -0.061
  125    H    LYS  18           H        LYS  18  -3.379   4.383  -1.357
  126    HA   LYS  18           HA       LYS  18  -6.212   4.152  -1.231
  127    HB2  LYS  18           HB2      LYS  18  -4.640   5.710   0.068
  128    HB3  LYS  18           HB3      LYS  18  -4.624   6.706  -1.380
  129    HG2  LYS  18           HG2      LYS  18  -6.988   7.069  -1.222
  130    HG3  LYS  18           HG3      LYS  18  -7.100   5.949   0.138
  131    HD2  LYS  18           HD2      LYS  18  -5.509   7.423   1.371
  132    HD3  LYS  18           HD3      LYS  18  -5.647   8.586   0.055
  133    HE2  LYS  18           HE2      LYS  18  -7.130   9.196   1.875
  134    HE3  LYS  18           HE3      LYS  18  -8.062   8.739   0.451
  135    HZ1  LYS  18           HZ1      LYS  18  -7.508   6.950   2.752
  136    HZ2  LYS  18           HZ2      LYS  18  -8.491   6.600   1.422
  137    HZ3  LYS  18           HZ3      LYS  18  -8.949   7.803   2.517
  138    H    LYS  19           H        LYS  19  -3.892   5.456  -3.486
  139    HA   LYS  19           HA       LYS  19  -5.745   6.414  -5.413
  140    HB2  LYS  19           HB2      LYS  19  -3.350   7.090  -5.275
  141    HB3  LYS  19           HB3      LYS  19  -2.891   5.477  -5.797
  142    HG2  LYS  19           HG2      LYS  19  -4.104   5.861  -7.916
  143    HG3  LYS  19           HG3      LYS  19  -4.436   7.513  -7.388
  144    HD2  LYS  19           HD2      LYS  19  -2.024   7.935  -7.228
  145    HD3  LYS  19           HD3      LYS  19  -1.705   6.291  -7.780
  146    HE2  LYS  19           HE2      LYS  19  -2.939   6.827  -9.874
  147    HE3  LYS  19           HE3      LYS  19  -3.063   8.495  -9.321
  148    HZ1  LYS  19           HZ1      LYS  19  -1.207   8.240 -10.818
  149    HZ2  LYS  19           HZ2      LYS  19  -0.547   7.014  -9.856
  150    HZ3  LYS  19           HZ3      LYS  19  -0.635   8.594  -9.265
  151    H    ALA  20           H        ALA  20  -4.407   3.309  -4.634
  152    HA   ALA  20           HA       ALA  20  -5.122   2.002  -7.075
  153    HB1  ALA  20           HB1      ALA  20  -3.323   1.199  -5.532
  154    HB2  ALA  20           HB2      ALA  20  -4.503  -0.038  -5.975
  155    HB3  ALA  20           HB3      ALA  20  -4.589   0.734  -4.392
  156    H    GLY  21           H        GLY  21  -6.533   2.133  -3.805
  157    HA2  GLY  21           HA2      GLY  21  -9.042   2.564  -4.055
  158    HA3  GLY  21           HA3      GLY  21  -9.023   1.062  -4.960
  159    H    MET  22           H        MET  22  -6.824   1.007  -2.372
  160    HA   MET  22           HA       MET  22  -8.789  -0.521  -0.811
  161    HB2  MET  22           HB2      MET  22  -5.792  -0.820  -0.947
  162    HB3  MET  22           HB3      MET  22  -6.803  -1.660   0.218
  163    HG2  MET  22           HG2      MET  22  -6.418  -3.194  -1.510
  164    HG3  MET  22           HG3      MET  22  -8.066  -2.610  -1.752
  165    HE1  MET  22           HE1      MET  22  -8.157  -3.496  -4.209
  166    HE2  MET  22           HE2      MET  22  -6.528  -4.158  -4.077
  167    HE3  MET  22           HE3      MET  22  -6.955  -3.135  -5.447
  168    H    ARG  23           H        ARG  23  -7.465  -0.682   1.633
  169    HA   ARG  23           HA       ARG  23  -7.984   2.069   2.501
  170    HB2  ARG  23           HB2      ARG  23  -8.019  -0.534   4.038
  171    HB3  ARG  23           HB3      ARG  23  -8.293   1.040   4.770
  172    HG2  ARG  23           HG2      ARG  23 -10.183   1.301   3.068
  173    HG3  ARG  23           HG3      ARG  23  -9.994  -0.431   2.797
  174    HD2  ARG  23           HD2      ARG  23 -10.429   0.741   5.528
  175    HD3  ARG  23           HD3      ARG  23 -11.761   0.274   4.473
  176    HE   ARG  23           HE       ARG  23 -10.200  -1.950   4.562
  177   HH11  ARG  23          HH11      ARG  23 -11.692   0.076   6.999
  178   HH12  ARG  23          HH12      ARG  23 -11.868  -1.214   8.145
  179   HH21  ARG  23          HH21      ARG  23 -10.429  -3.643   6.054
  180   HH22  ARG  23          HH22      ARG  23 -11.149  -3.345   7.604
  181    H    PHE  24           H        PHE  24  -5.869  -0.570   3.622
  182    HA   PHE  24           HA       PHE  24  -3.824   1.465   4.234
  183    HB2  PHE  24           HB2      PHE  24  -3.476  -0.973   5.745
  184    HB3  PHE  24           HB3      PHE  24  -3.655   0.678   6.337
  185    HD1  PHE  24           HD1      PHE  24  -5.558  -2.218   5.105
  186    HD2  PHE  24           HD2      PHE  24  -5.602   1.277   7.503
  187    HE1  PHE  24           HE1      PHE  24  -7.768  -2.853   5.956
  188    HE2  PHE  24           HE2      PHE  24  -7.822   0.658   8.373
  189    HZ   PHE  24           HZ       PHE  24  -8.906  -1.413   7.603
  190    H    GLY  25           H        GLY  25  -1.597   0.618   4.207
  191    HA2  GLY  25           HA2      GLY  25  -1.305  -1.576   2.259
  192    HA3  GLY  25           HA3      GLY  25  -0.441  -0.059   2.058
  193    H    LYS  26           H        LYS  26   0.373  -2.928   2.529
  194    HA   LYS  26           HA       LYS  26   2.144  -2.466   4.841
  195    HB2  LYS  26           HB2      LYS  26   0.457  -4.350   5.026
  196    HB3  LYS  26           HB3      LYS  26   1.287  -5.123   3.685
  197    HG2  LYS  26           HG2      LYS  26   3.342  -5.208   5.025
  198    HG3  LYS  26           HG3      LYS  26   2.462  -4.497   6.381
  199    HD2  LYS  26           HD2      LYS  26   0.878  -6.412   6.272
  200    HD3  LYS  26           HD3      LYS  26   1.907  -7.139   5.038
  201    HE2  LYS  26           HE2      LYS  26   3.770  -7.188   6.617
  202    HE3  LYS  26           HE3      LYS  26   2.749  -6.447   7.849
  203    HZ1  LYS  26           HZ1      LYS  26   2.905  -8.851   8.112
  204    HZ2  LYS  26           HZ2      LYS  26   2.250  -9.079   6.572
  205    HZ3  LYS  26           HZ3      LYS  26   1.317  -8.374   7.792
  206    H    CYS  27           H        CYS  27   4.320  -3.419   4.589
  207    HA   CYS  27           HA       CYS  27   5.189  -3.006   1.826
  208    HB2  CYS  27           HB2      CYS  27   6.174  -1.663   3.742
  209    HB3  CYS  27           HB3      CYS  27   6.946  -3.153   4.273
  210    H    ILE  28           H        ILE  28   5.488  -4.736   0.629
  211    HA   ILE  28           HA       ILE  28   6.539  -7.172   1.875
  212    HB   ILE  28           HB       ILE  28   4.586  -6.718  -0.373
  213   HG12  ILE  28          HG12      ILE  28   4.597  -8.167   2.227
  214   HG13  ILE  28          HG13      ILE  28   3.490  -6.927   1.666
  215   HG21  ILE  28          HG21      ILE  28   6.008  -8.270  -1.379
  216   HG22  ILE  28          HG22      ILE  28   4.649  -9.201  -0.765
  217   HG23  ILE  28          HG23      ILE  28   6.189  -9.209   0.096
  218   HD11  ILE  28          HD11      ILE  28   2.655  -8.592  -0.016
  219   HD12  ILE  28          HD12      ILE  28   2.296  -8.963   1.669
  220   HD13  ILE  28          HD13      ILE  28   3.599  -9.811   0.838
  221    H    ASN  29           H        ASN  29   7.906  -8.456   0.241
  222    HA   ASN  29           HA       ASN  29  10.252  -7.200  -0.168
  223    HB2  ASN  29           HB2      ASN  29  10.830  -8.965  -1.828
  224    HB3  ASN  29           HB3      ASN  29  10.098  -9.587  -0.355
  225   HD21  ASN  29          HD21      ASN  29   9.714  -9.101  -3.768
  226   HD22  ASN  29          HD22      ASN  29   8.307 -10.090  -3.950
  227    H    GLY  30           H        GLY  30   7.700  -7.373  -2.636
  228    HA2  GLY  30           HA2      GLY  30   8.923  -4.994  -3.838
  229    HA3  GLY  30           HA3      GLY  30   8.556  -6.368  -4.870
  230    H    LYS  31           H        LYS  31   6.378  -5.922  -2.266
  231    HA   LYS  31           HA       LYS  31   4.449  -4.719  -4.132
  232    HB2  LYS  31           HB2      LYS  31   4.002  -7.015  -2.222
  233    HB3  LYS  31           HB3      LYS  31   2.738  -6.214  -3.140
  234    HG2  LYS  31           HG2      LYS  31   3.406  -7.149  -5.131
  235    HG3  LYS  31           HG3      LYS  31   5.060  -7.416  -4.570
  236    HD2  LYS  31           HD2      LYS  31   4.513  -9.327  -3.433
  237    HD3  LYS  31           HD3      LYS  31   2.845  -8.824  -3.180
  238    HE2  LYS  31           HE2      LYS  31   4.035  -9.707  -5.809
  239    HE3  LYS  31           HE3      LYS  31   3.037 -10.709  -4.757
  240    HZ1  LYS  31           HZ1      LYS  31   1.706  -9.783  -6.514
  241    HZ2  LYS  31           HZ2      LYS  31   2.190  -8.213  -6.125
  242    HZ3  LYS  31           HZ3      LYS  31   1.231  -9.093  -5.046
  243    H    CYS  32           H        CYS  32   3.277  -3.041  -3.250
  244    HA   CYS  32           HA       CYS  32   3.196  -2.849  -0.343
  245    HB2  CYS  32           HB2      CYS  32   2.357  -1.018  -2.571
  246    HB3  CYS  32           HB3      CYS  32   1.535  -0.877  -1.013
  247    H    ASP  33           H        ASP  33   2.186  -4.833   0.004
  248    HA   ASP  33           HA       ASP  33  -0.326  -5.439  -1.242
  249    HB2  ASP  33           HB2      ASP  33   1.240  -7.211  -0.567
  250    HB3  ASP  33           HB3      ASP  33   1.018  -6.761   1.120
  251    H    CYS  34           H        CYS  34  -2.316  -5.084  -0.512
  252    HA   CYS  34           HA       CYS  34  -2.472  -3.293   1.809
  253    HB2  CYS  34           HB2      CYS  34  -4.157  -3.450  -0.689
  254    HB3  CYS  34           HB3      CYS  34  -4.477  -2.369   0.659
  255    H    THR  35           H        THR  35  -4.645  -3.185   2.830
  256    HA   THR  35           HA       THR  35  -6.158  -5.689   2.578
  257    HB   THR  35           HB       THR  35  -5.962  -3.912   5.022
  258    HG1  THR  35           HG1      THR  35  -4.445  -5.966   4.159
  259   HG21  THR  35          HG21      THR  35  -8.182  -5.083   4.536
  260   HG22  THR  35          HG22      THR  35  -7.439  -5.401   6.108
  261   HG23  THR  35          HG23      THR  35  -7.311  -6.595   4.817
  262    HA   PRO  36           HA       PRO  36  -9.006  -2.743   0.945
  263    HB2  PRO  36           HB2      PRO  36 -10.871  -4.455   0.105
  264    HB3  PRO  36           HB3      PRO  36  -9.276  -4.409  -0.647
  265    HG2  PRO  36           HG2      PRO  36 -10.363  -6.326   1.374
  266    HG3  PRO  36           HG3      PRO  36  -9.369  -6.650  -0.056
  267    HD2  PRO  36           HD2      PRO  36  -8.399  -6.443   2.522
  268    HD3  PRO  36           HD3      PRO  36  -7.428  -6.202   1.059
  269    H    LYS  37           H        LYS  37 -11.739  -3.117   0.995
  270    HA   LYS  37           HA       LYS  37 -12.284  -2.222   3.662
  271    HB2  LYS  37           HB2      LYS  37 -14.495  -1.668   2.899
  272    HB3  LYS  37           HB3      LYS  37 -13.331  -1.134   1.707
  273    HG2  LYS  37           HG2      LYS  37 -14.910  -3.680   1.456
  274    HG3  LYS  37           HG3      LYS  37 -15.441  -2.132   0.806
  275    HD2  LYS  37           HD2      LYS  37 -13.216  -2.075  -0.430
  276    HD3  LYS  37           HD3      LYS  37 -13.052  -3.775   0.012
  277    HE2  LYS  37           HE2      LYS  37 -13.994  -3.698  -2.169
  278    HE3  LYS  37           HE3      LYS  37 -15.280  -4.171  -1.063
  279    HZ1  LYS  37           HZ1      LYS  37 -14.845  -1.433  -2.128
  280    HZ2  LYS  37           HZ2      LYS  37 -16.088  -1.894  -1.079
  281    HZ3  LYS  37           HZ3      LYS  37 -16.036  -2.514  -2.652
  Start of MODEL   10
    1    H1   VAL   1           H1       VAL   1  -6.880  -8.423  -3.643
    2    H2   VAL   1           H2       VAL   1  -5.629  -8.865  -2.596
    3    H3   VAL   1           H3       VAL   1  -5.423  -9.014  -4.263
    4    HA   VAL   1           HA       VAL   1  -5.573  -6.637  -4.534
    5    HB   VAL   1           HB       VAL   1  -5.373  -5.216  -2.480
    6   HG11  VAL   1          HG11      VAL   1  -7.728  -5.155  -2.012
    7   HG12  VAL   1          HG12      VAL   1  -7.944  -6.771  -2.686
    8   HG13  VAL   1          HG13      VAL   1  -7.477  -5.430  -3.734
    9   HG21  VAL   1          HG21      VAL   1  -4.700  -6.947  -0.907
   10   HG22  VAL   1          HG22      VAL   1  -6.272  -7.729  -1.080
   11   HG23  VAL   1          HG23      VAL   1  -6.159  -6.126  -0.354
   12    H    GLY   2           H        GLY   2  -3.783  -5.073  -3.680
   13    HA2  GLY   2           HA2      GLY   2  -1.509  -5.063  -2.702
   14    HA3  GLY   2           HA3      GLY   2  -1.341  -6.697  -3.329
   15    H    ILE   3           H        ILE   3  -0.568  -3.525  -3.905
   16    HA   ILE   3           HA       ILE   3  -0.864  -3.716  -6.815
   17    HB   ILE   3           HB       ILE   3  -0.817  -1.425  -6.933
   18   HG12  ILE   3          HG12      ILE   3   0.835  -1.433  -4.400
   19   HG13  ILE   3          HG13      ILE   3   1.387  -1.053  -6.023
   20   HG21  ILE   3          HG21      ILE   3  -2.102  -0.483  -5.061
   21   HG22  ILE   3          HG22      ILE   3  -1.747  -1.922  -4.107
   22   HG23  ILE   3          HG23      ILE   3  -2.722  -2.052  -5.571
   23   HD11  ILE   3          HD11      ILE   3  -0.419   0.562  -4.270
   24   HD12  ILE   3          HD12      ILE   3  -0.172   0.908  -5.980
   25   HD13  ILE   3          HD13      ILE   3   1.187   0.984  -4.856
   26    H    ASN   4           H        ASN   4   0.986  -2.512  -7.991
   27    HA   ASN   4           HA       ASN   4   3.509  -3.740  -7.203
   28    HB2  ASN   4           HB2      ASN   4   4.174  -3.207  -9.549
   29    HB3  ASN   4           HB3      ASN   4   2.818  -4.310  -9.443
   30   HD21  ASN   4          HD21      ASN   4   3.769  -2.439 -11.549
   31   HD22  ASN   4          HD22      ASN   4   2.390  -1.478 -11.952
   32    H    VAL   5           H        VAL   5   4.880  -2.448  -6.132
   33    HA   VAL   5           HA       VAL   5   5.342   0.262  -6.943
   34    HB   VAL   5           HB       VAL   5   3.139   0.229  -5.585
   35   HG11  VAL   5          HG11      VAL   5   3.396   0.400  -3.180
   36   HG12  VAL   5          HG12      VAL   5   5.100  -0.021  -3.323
   37   HG13  VAL   5          HG13      VAL   5   3.859  -1.190  -3.778
   38   HG21  VAL   5          HG21      VAL   5   3.543   2.403  -4.674
   39   HG22  VAL   5          HG22      VAL   5   4.416   2.263  -6.200
   40   HG23  VAL   5          HG23      VAL   5   5.282   2.134  -4.671
   41    H    ASP   6           H        ASP   6   6.627   1.321  -4.871
   42    HA   ASP   6           HA       ASP   6   8.512  -0.717  -3.914
   43    HB2  ASP   6           HB2      ASP   6   9.249   1.842  -5.300
   44    HB3  ASP   6           HB3      ASP   6  10.369   0.927  -4.308
   45    H    CYS   7           H        CYS   7   8.052  -0.627  -1.882
   46    HA   CYS   7           HA       CYS   7   7.731   1.915  -0.493
   47    HB2  CYS   7           HB2      CYS   7   7.153   0.404   1.460
   48    HB3  CYS   7           HB3      CYS   7   6.046   0.354   0.100
   49    H    LYS   8           H        LYS   8   9.181   2.718   0.920
   50    HA   LYS   8           HA       LYS   8  11.530   1.157   1.650
   51    HB2  LYS   8           HB2      LYS   8  11.766   3.575   1.208
   52    HB3  LYS   8           HB3      LYS   8  10.608   3.924   2.478
   53    HG2  LYS   8           HG2      LYS   8  12.152   2.905   4.109
   54    HG3  LYS   8           HG3      LYS   8  13.339   2.716   2.817
   55    HD2  LYS   8           HD2      LYS   8  12.148   5.332   3.737
   56    HD3  LYS   8           HD3      LYS   8  13.755   4.734   4.154
   57    HE2  LYS   8           HE2      LYS   8  14.382   4.763   1.793
   58    HE3  LYS   8           HE3      LYS   8  12.772   5.338   1.365
   59    HZ1  LYS   8           HZ1      LYS   8  14.422   7.125   1.467
   60    HZ2  LYS   8           HZ2      LYS   8  14.681   6.799   3.105
   61    HZ3  LYS   8           HZ3      LYS   8  13.173   7.355   2.582
   62    H    HIS   9           H        HIS   9   8.381   1.750   2.629
   63    HA   HIS   9           HA       HIS   9   8.405   0.133   4.940
   64    HB2  HIS   9           HB2      HIS   9   7.744   2.032   6.547
   65    HB3  HIS   9           HB3      HIS   9   9.454   1.881   6.162
   66    HD1  HIS   9           HD1      HIS   9  10.559   3.800   4.922
   67    HD2  HIS   9           HD2      HIS   9   6.470   4.317   5.419
   68    HE1  HIS   9           HE1      HIS   9  10.075   6.129   4.126
   69    HE2  HIS   9           HE2      HIS   9   7.631   6.492   4.646
   70    H    SER  10           H        SER  10   6.246  -0.023   5.876
   71    HA   SER  10           HA       SER  10   4.301   0.027   3.816
   72    HB2  SER  10           HB2      SER  10   2.774  -0.721   5.750
   73    HB3  SER  10           HB3      SER  10   4.134  -1.760   5.320
   74    HG   SER  10           HG       SER  10   4.798  -1.524   7.286
   75    H    GLY  11           H        GLY  11   5.112   2.302   6.286
   76    HA2  GLY  11           HA2      GLY  11   2.656   3.598   6.632
   77    HA3  GLY  11           HA3      GLY  11   4.228   4.347   6.842
   78    H    GLN  12           H        GLN  12   5.046   3.935   4.083
   79    HA   GLN  12           HA       GLN  12   3.728   6.273   2.983
   80    HB2  GLN  12           HB2      GLN  12   5.494   6.319   1.367
   81    HB3  GLN  12           HB3      GLN  12   6.228   5.946   2.921
   82    HG2  GLN  12           HG2      GLN  12   6.272   3.572   2.319
   83    HG3  GLN  12           HG3      GLN  12   5.564   3.965   0.757
   84   HE21  GLN  12          HE21      GLN  12   6.814   4.994  -0.789
   85   HE22  GLN  12          HE22      GLN  12   8.541   5.069  -0.676
   86    H    CYS  13           H        CYS  13   3.050   3.070   2.979
   87    HA   CYS  13           HA       CYS  13   2.641   2.695   0.138
   88    HB2  CYS  13           HB2      CYS  13   3.188   0.977   2.210
   89    HB3  CYS  13           HB3      CYS  13   1.465   0.713   1.962
   90    H    LEU  14           H        LEU  14   0.991   4.036   2.694
   91    HA   LEU  14           HA       LEU  14  -1.683   3.364   2.195
   92    HB2  LEU  14           HB2      LEU  14  -0.544   5.954   3.232
   93    HB3  LEU  14           HB3      LEU  14  -2.197   5.422   3.409
   94    HG   LEU  14           HG       LEU  14   0.250   4.215   4.690
   95   HD11  LEU  14          HD11      LEU  14  -0.528   6.231   5.764
   96   HD12  LEU  14          HD12      LEU  14  -0.888   4.830   6.775
   97   HD13  LEU  14          HD13      LEU  14  -2.170   5.593   5.834
   98   HD21  LEU  14          HD21      LEU  14  -1.166   2.390   4.090
   99   HD22  LEU  14          HD22      LEU  14  -2.597   3.237   4.682
  100   HD23  LEU  14          HD23      LEU  14  -1.366   2.689   5.818
  101    H    LYS  15           H        LYS  15   0.200   6.163   1.156
  102    HA   LYS  15           HA       LYS  15  -1.657   7.538  -0.278
  103    HB2  LYS  15           HB2      LYS  15   0.750   8.131   0.349
  104    HB3  LYS  15           HB3      LYS  15   1.208   7.337  -1.149
  105    HG2  LYS  15           HG2      LYS  15  -0.102   8.888  -2.429
  106    HG3  LYS  15           HG3      LYS  15  -0.725   9.610  -0.946
  107    HD2  LYS  15           HD2      LYS  15   1.033  11.003  -1.888
  108    HD3  LYS  15           HD3      LYS  15   1.543  10.325  -0.344
  109    HE2  LYS  15           HE2      LYS  15   3.368  10.190  -1.904
  110    HE3  LYS  15           HE3      LYS  15   2.776   8.564  -1.569
  111    HZ1  LYS  15           HZ1      LYS  15   1.522   8.663  -3.659
  112    HZ2  LYS  15           HZ2      LYS  15   3.184   8.832  -3.909
  113    HZ3  LYS  15           HZ3      LYS  15   2.177  10.188  -3.983
  114    HA   PRO  16           HA       PRO  16  -0.662   5.265  -4.372
  115    HB2  PRO  16           HB2      PRO  16   0.743   2.953  -4.340
  116    HB3  PRO  16           HB3      PRO  16   1.513   4.533  -4.508
  117    HG2  PRO  16           HG2      PRO  16   1.253   2.789  -2.099
  118    HG3  PRO  16           HG3      PRO  16   2.634   3.765  -2.636
  119    HD2  PRO  16           HD2      PRO  16   0.917   4.564  -0.667
  120    HD3  PRO  16           HD3      PRO  16   1.801   5.690  -1.707
  121    H    CYS  17           H        CYS  17  -1.159   3.322  -1.506
  122    HA   CYS  17           HA       CYS  17  -2.720   1.295  -2.744
  123    HB2  CYS  17           HB2      CYS  17  -1.607   1.076  -0.518
  124    HB3  CYS  17           HB3      CYS  17  -2.787   2.205   0.139
  125    H    LYS  18           H        LYS  18  -3.416   4.418  -1.316
  126    HA   LYS  18           HA       LYS  18  -6.257   4.167  -1.428
  127    HB2  LYS  18           HB2      LYS  18  -4.377   6.492  -1.108
  128    HB3  LYS  18           HB3      LYS  18  -6.109   6.736  -1.252
  129    HG2  LYS  18           HG2      LYS  18  -4.789   5.034   0.845
  130    HG3  LYS  18           HG3      LYS  18  -5.291   6.708   1.079
  131    HD2  LYS  18           HD2      LYS  18  -7.157   4.464   0.303
  132    HD3  LYS  18           HD3      LYS  18  -6.897   5.003   1.959
  133    HE2  LYS  18           HE2      LYS  18  -8.800   6.167   1.388
  134    HE3  LYS  18           HE3      LYS  18  -7.544   7.343   1.014
  135    HZ1  LYS  18           HZ1      LYS  18  -7.715   6.765  -1.310
  136    HZ2  LYS  18           HZ2      LYS  18  -9.240   7.177  -0.724
  137    HZ3  LYS  18           HZ3      LYS  18  -8.845   5.554  -0.974
  138    H    LYS  19           H        LYS  19  -3.769   5.303  -3.598
  139    HA   LYS  19           HA       LYS  19  -5.474   6.353  -5.603
  140    HB2  LYS  19           HB2      LYS  19  -3.121   6.910  -5.598
  141    HB3  LYS  19           HB3      LYS  19  -2.671   5.217  -5.722
  142    HG2  LYS  19           HG2      LYS  19  -2.357   6.300  -7.844
  143    HG3  LYS  19           HG3      LYS  19  -3.676   5.138  -7.968
  144    HD2  LYS  19           HD2      LYS  19  -5.292   6.978  -7.706
  145    HD3  LYS  19           HD3      LYS  19  -3.953   8.126  -7.643
  146    HE2  LYS  19           HE2      LYS  19  -3.263   7.415  -9.894
  147    HE3  LYS  19           HE3      LYS  19  -4.634   6.308  -9.952
  148    HZ1  LYS  19           HZ1      LYS  19  -5.127   8.348 -11.113
  149    HZ2  LYS  19           HZ2      LYS  19  -4.788   9.265  -9.736
  150    HZ3  LYS  19           HZ3      LYS  19  -6.118   8.218  -9.748
  151    H    ALA  20           H        ALA  20  -4.391   3.162  -4.747
  152    HA   ALA  20           HA       ALA  20  -5.279   1.903  -7.168
  153    HB1  ALA  20           HB1      ALA  20  -3.429   1.020  -5.793
  154    HB2  ALA  20           HB2      ALA  20  -4.696  -0.168  -6.095
  155    HB3  ALA  20           HB3      ALA  20  -4.591   0.633  -4.527
  156    H    GLY  21           H        GLY  21  -6.505   2.124  -3.829
  157    HA2  GLY  21           HA2      GLY  21  -9.010   2.661  -3.997
  158    HA3  GLY  21           HA3      GLY  21  -9.088   1.129  -4.846
  159    H    MET  22           H        MET  22  -6.789   0.957  -2.372
  160    HA   MET  22           HA       MET  22  -8.788  -0.340  -0.664
  161    HB2  MET  22           HB2      MET  22  -5.836  -0.834  -0.948
  162    HB3  MET  22           HB3      MET  22  -6.774  -1.472   0.393
  163    HG2  MET  22           HG2      MET  22  -6.651  -3.203  -1.182
  164    HG3  MET  22           HG3      MET  22  -8.277  -2.535  -1.314
  165    HE1  MET  22           HE1      MET  22  -4.960  -0.930  -2.730
  166    HE2  MET  22           HE2      MET  22  -4.900  -1.659  -4.333
  167    HE3  MET  22           HE3      MET  22  -4.700  -2.665  -2.899
  168    H    ARG  23           H        ARG  23  -7.710  -0.446   1.758
  169    HA   ARG  23           HA       ARG  23  -7.767   2.378   2.485
  170    HB2  ARG  23           HB2      ARG  23  -8.097  -0.140   4.113
  171    HB3  ARG  23           HB3      ARG  23  -8.062   1.464   4.829
  172    HG2  ARG  23           HG2      ARG  23  -9.970   2.029   3.229
  173    HG3  ARG  23           HG3      ARG  23 -10.094   0.288   2.970
  174    HD2  ARG  23           HD2      ARG  23 -10.214   1.583   5.684
  175    HD3  ARG  23           HD3      ARG  23 -11.639   1.226   4.713
  176    HE   ARG  23           HE       ARG  23 -10.174  -1.130   4.929
  177   HH11  ARG  23          HH11      ARG  23 -11.903   1.074   7.026
  178   HH12  ARG  23          HH12      ARG  23 -12.341  -0.155   8.171
  179   HH21  ARG  23          HH21      ARG  23 -10.749  -2.753   6.438
  180   HH22  ARG  23          HH22      ARG  23 -11.681  -2.325   7.841
  181    H    PHE  24           H        PHE  24  -5.899  -0.449   3.580
  182    HA   PHE  24           HA       PHE  24  -3.674   1.393   4.171
  183    HB2  PHE  24           HB2      PHE  24  -3.463  -1.074   5.638
  184    HB3  PHE  24           HB3      PHE  24  -3.545   0.572   6.257
  185    HD1  PHE  24           HD1      PHE  24  -5.711  -2.081   4.870
  186    HD2  PHE  24           HD2      PHE  24  -5.354   1.138   7.610
  187    HE1  PHE  24           HE1      PHE  24  -7.938  -2.595   5.733
  188    HE2  PHE  24           HE2      PHE  24  -7.592   0.632   8.497
  189    HZ   PHE  24           HZ       PHE  24  -8.892  -1.240   7.565
  190    H    GLY  25           H        GLY  25  -1.540   0.446   4.050
  191    HA2  GLY  25           HA2      GLY  25  -1.399  -1.762   2.101
  192    HA3  GLY  25           HA3      GLY  25  -0.462  -0.293   1.888
  193    H    LYS  26           H        LYS  26   0.604  -2.912   2.055
  194    HA   LYS  26           HA       LYS  26   2.249  -2.607   4.469
  195    HB2  LYS  26           HB2      LYS  26   0.672  -4.532   4.696
  196    HB3  LYS  26           HB3      LYS  26   1.383  -5.231   3.251
  197    HG2  LYS  26           HG2      LYS  26   3.512  -5.466   4.350
  198    HG3  LYS  26           HG3      LYS  26   2.885  -4.659   5.788
  199    HD2  LYS  26           HD2      LYS  26   1.298  -6.460   6.135
  200    HD3  LYS  26           HD3      LYS  26   1.849  -7.256   4.660
  201    HE2  LYS  26           HE2      LYS  26   2.809  -8.237   6.722
  202    HE3  LYS  26           HE3      LYS  26   4.028  -7.618   5.609
  203    HZ1  LYS  26           HZ1      LYS  26   3.019  -6.157   7.992
  204    HZ2  LYS  26           HZ2      LYS  26   4.269  -5.662   6.966
  205    HZ3  LYS  26           HZ3      LYS  26   4.466  -7.030   7.937
  206    H    CYS  27           H        CYS  27   4.425  -3.448   4.208
  207    HA   CYS  27           HA       CYS  27   5.332  -2.802   1.515
  208    HB2  CYS  27           HB2      CYS  27   6.268  -1.618   3.535
  209    HB3  CYS  27           HB3      CYS  27   7.016  -3.144   3.998
  210    H    ILE  28           H        ILE  28   5.446  -4.500   0.202
  211    HA   ILE  28           HA       ILE  28   6.811  -6.903   1.178
  212    HB   ILE  28           HB       ILE  28   4.690  -6.452  -0.912
  213   HG12  ILE  28          HG12      ILE  28   4.991  -8.115   1.550
  214   HG13  ILE  28          HG13      ILE  28   3.765  -6.919   1.164
  215   HG21  ILE  28          HG21      ILE  28   4.932  -8.701  -1.739
  216   HG22  ILE  28          HG22      ILE  28   6.305  -8.985  -0.672
  217   HG23  ILE  28          HG23      ILE  28   6.440  -7.820  -1.990
  218   HD11  ILE  28          HD11      ILE  28   2.933  -8.460  -0.606
  219   HD12  ILE  28          HD12      ILE  28   2.744  -9.053   1.046
  220   HD13  ILE  28          HD13      ILE  28   4.037  -9.682   0.024
  221    H    ASN  29           H        ASN  29   8.193  -7.934  -0.629
  222    HA   ASN  29           HA       ASN  29  10.349  -6.351  -1.106
  223    HB2  ASN  29           HB2      ASN  29  11.165  -7.988  -2.678
  224    HB3  ASN  29           HB3      ASN  29  10.317  -8.819  -1.381
  225   HD21  ASN  29          HD21      ASN  29   8.367  -9.850  -1.824
  226   HD22  ASN  29          HD22      ASN  29   7.859 -10.195  -3.442
  227    H    GLY  30           H        GLY  30   7.591  -6.731  -3.297
  228    HA2  GLY  30           HA2      GLY  30   8.315  -4.155  -4.454
  229    HA3  GLY  30           HA3      GLY  30   8.186  -5.512  -5.565
  230    H    LYS  31           H        LYS  31   6.090  -5.504  -2.803
  231    HA   LYS  31           HA       LYS  31   3.885  -4.704  -4.580
  232    HB2  LYS  31           HB2      LYS  31   3.940  -7.016  -2.642
  233    HB3  LYS  31           HB3      LYS  31   2.474  -6.398  -3.379
  234    HG2  LYS  31           HG2      LYS  31   3.314  -6.978  -5.581
  235    HG3  LYS  31           HG3      LYS  31   4.819  -7.554  -4.863
  236    HD2  LYS  31           HD2      LYS  31   3.584  -9.246  -3.615
  237    HD3  LYS  31           HD3      LYS  31   2.070  -8.663  -4.305
  238    HE2  LYS  31           HE2      LYS  31   2.804 -10.639  -5.490
  239    HE3  LYS  31           HE3      LYS  31   2.897  -9.236  -6.550
  240    HZ1  LYS  31           HZ1      LYS  31   5.280  -9.117  -6.083
  241    HZ2  LYS  31           HZ2      LYS  31   4.853 -10.588  -6.790
  242    HZ3  LYS  31           HZ3      LYS  31   5.169 -10.511  -5.132
  243    H    CYS  32           H        CYS  32   2.273  -3.489  -3.674
  244    HA   CYS  32           HA       CYS  32   2.561  -2.801  -0.839
  245    HB2  CYS  32           HB2      CYS  32   2.046  -1.051  -2.715
  246    HB3  CYS  32           HB3      CYS  32   0.418  -1.714  -2.648
  247    H    ASP  33           H        ASP  33   1.941  -4.786   0.015
  248    HA   ASP  33           HA       ASP  33  -0.446  -6.095  -0.867
  249    HB2  ASP  33           HB2      ASP  33   1.334  -7.454  -0.067
  250    HB3  ASP  33           HB3      ASP  33   1.445  -6.565   1.443
  251    H    CYS  34           H        CYS  34  -2.211  -4.946  -0.594
  252    HA   CYS  34           HA       CYS  34  -2.554  -3.271   1.749
  253    HB2  CYS  34           HB2      CYS  34  -3.982  -3.488  -0.887
  254    HB3  CYS  34           HB3      CYS  34  -4.563  -2.463   0.417
  255    H    THR  35           H        THR  35  -4.821  -2.985   2.539
  256    HA   THR  35           HA       THR  35  -6.511  -5.359   2.284
  257    HB   THR  35           HB       THR  35  -6.102  -3.833   4.871
  258    HG1  THR  35           HG1      THR  35  -4.847  -6.072   3.796
  259   HG21  THR  35          HG21      THR  35  -8.357  -4.911   4.348
  260   HG22  THR  35          HG22      THR  35  -7.575  -5.385   5.862
  261   HG23  THR  35          HG23      THR  35  -7.512  -6.459   4.465
  262    HA   PRO  36           HA       PRO  36  -9.172  -1.944   1.190
  263    HB2  PRO  36           HB2      PRO  36 -11.304  -3.356   0.425
  264    HB3  PRO  36           HB3      PRO  36  -9.818  -3.368  -0.523
  265    HG2  PRO  36           HG2      PRO  36 -10.835  -5.398   1.427
  266    HG3  PRO  36           HG3      PRO  36 -10.098  -5.650  -0.165
  267    HD2  PRO  36           HD2      PRO  36  -8.735  -5.877   2.200
  268    HD3  PRO  36           HD3      PRO  36  -7.968  -5.462   0.663
  269    H    LYS  37           H        LYS  37 -11.921  -2.044   1.515
  270    HA   LYS  37           HA       LYS  37 -12.144  -1.762   4.384
  271    HB2  LYS  37           HB2      LYS  37 -14.223  -0.633   4.031
  272    HB3  LYS  37           HB3      LYS  37 -13.066  -0.009   2.874
  273    HG2  LYS  37           HG2      LYS  37 -15.189  -2.042   2.232
  274    HG3  LYS  37           HG3      LYS  37 -15.352  -0.308   1.977
  275    HD2  LYS  37           HD2      LYS  37 -13.376  -0.406   0.474
  276    HD3  LYS  37           HD3      LYS  37 -13.368  -2.161   0.661
  277    HE2  LYS  37           HE2      LYS  37 -15.601  -0.494  -0.490
  278    HE3  LYS  37           HE3      LYS  37 -14.492  -1.519  -1.396
  279    HZ1  LYS  37           HZ1      LYS  37 -16.423  -2.474   0.646
  280    HZ2  LYS  37           HZ2      LYS  37 -15.385  -3.444  -0.269
  281    HZ3  LYS  37           HZ3      LYS  37 -16.628  -2.592  -1.027
  Start of MODEL   11
    1    H1   VAL   1           H1       VAL   1  -5.599  -9.001  -4.589
    2    H2   VAL   1           H2       VAL   1  -6.954  -8.459  -3.738
    3    H3   VAL   1           H3       VAL   1  -5.599  -9.027  -2.901
    4    HA   VAL   1           HA       VAL   1  -5.700  -6.609  -4.599
    5    HB   VAL   1           HB       VAL   1  -5.261  -5.401  -2.453
    6   HG11  VAL   1          HG11      VAL   1  -7.545  -5.366  -1.727
    7   HG12  VAL   1          HG12      VAL   1  -7.854  -6.936  -2.468
    8   HG13  VAL   1          HG13      VAL   1  -7.508  -5.532  -3.479
    9   HG21  VAL   1          HG21      VAL   1  -4.408  -7.266  -1.146
   10   HG22  VAL   1          HG22      VAL   1  -5.983  -8.057  -1.217
   11   HG23  VAL   1          HG23      VAL   1  -5.799  -6.535  -0.345
   12    H    GLY   2           H        GLY   2  -3.758  -5.180  -3.636
   13    HA2  GLY   2           HA2      GLY   2  -1.438  -5.282  -2.912
   14    HA3  GLY   2           HA3      GLY   2  -1.356  -6.891  -3.614
   15    H    ILE   3           H        ILE   3  -0.402  -3.783  -4.082
   16    HA   ILE   3           HA       ILE   3  -0.700  -3.904  -7.010
   17    HB   ILE   3           HB       ILE   3  -0.676  -1.610  -7.094
   18   HG12  ILE   3          HG12      ILE   3   0.961  -1.651  -4.553
   19   HG13  ILE   3          HG13      ILE   3   1.507  -1.217  -6.165
   20   HG21  ILE   3          HG21      ILE   3  -1.990  -0.692  -5.237
   21   HG22  ILE   3          HG22      ILE   3  -1.626  -2.126  -4.278
   22   HG23  ILE   3          HG23      ILE   3  -2.588  -2.270  -5.748
   23   HD11  ILE   3          HD11      ILE   3  -0.352   0.319  -4.390
   24   HD12  ILE   3          HD12      ILE   3  -0.050   0.728  -6.077
   25   HD13  ILE   3          HD13      ILE   3   1.267   0.777  -4.905
   26    H    ASN   4           H        ASN   4   1.243  -2.710  -8.113
   27    HA   ASN   4           HA       ASN   4   3.714  -3.939  -7.078
   28    HB2  ASN   4           HB2      ASN   4   2.991  -4.723  -9.330
   29    HB3  ASN   4           HB3      ASN   4   3.082  -3.064  -9.914
   30   HD21  ASN   4          HD21      ASN   4   5.100  -2.105 -10.214
   31   HD22  ASN   4          HD22      ASN   4   6.558  -3.038 -10.262
   32    H    VAL   5           H        VAL   5   4.907  -2.480  -6.012
   33    HA   VAL   5           HA       VAL   5   5.309   0.180  -7.081
   34    HB   VAL   5           HB       VAL   5   3.056   0.045  -5.765
   35   HG11  VAL   5          HG11      VAL   5   3.261   0.459  -3.381
   36   HG12  VAL   5          HG12      VAL   5   5.001   0.212  -3.480
   37   HG13  VAL   5          HG13      VAL   5   3.898  -1.119  -3.827
   38   HG21  VAL   5          HG21      VAL   5   3.250   2.333  -5.066
   39   HG22  VAL   5          HG22      VAL   5   4.136   2.122  -6.576
   40   HG23  VAL   5          HG23      VAL   5   5.007   2.226  -5.047
   41    H    ASP   6           H        ASP   6   6.411   1.484  -5.078
   42    HA   ASP   6           HA       ASP   6   8.424  -0.324  -3.921
   43    HB2  ASP   6           HB2      ASP   6   8.906   2.492  -4.893
   44    HB3  ASP   6           HB3      ASP   6  10.091   1.431  -4.151
   45    H    CYS   7           H        CYS   7   7.880  -0.400  -1.866
   46    HA   CYS   7           HA       CYS   7   6.948   1.985  -0.474
   47    HB2  CYS   7           HB2      CYS   7   6.996   0.180   1.475
   48    HB3  CYS   7           HB3      CYS   7   5.661   0.294   0.348
   49    H    LYS   8           H        LYS   8   7.952   2.875   1.255
   50    HA   LYS   8           HA       LYS   8  10.762   2.224   1.642
   51    HB2  LYS   8           HB2      LYS   8   9.078   4.389   2.924
   52    HB3  LYS   8           HB3      LYS   8  10.828   4.236   3.029
   53    HG2  LYS   8           HG2      LYS   8  11.052   4.650   0.666
   54    HG3  LYS   8           HG3      LYS   8   9.300   4.668   0.475
   55    HD2  LYS   8           HD2      LYS   8  10.102   6.934   0.506
   56    HD3  LYS   8           HD3      LYS   8   9.201   6.627   1.990
   57    HE2  LYS   8           HE2      LYS   8  11.260   6.340   3.223
   58    HE3  LYS   8           HE3      LYS   8  12.203   6.514   1.743
   59    HZ1  LYS   8           HZ1      LYS   8  12.176   8.564   3.011
   60    HZ2  LYS   8           HZ2      LYS   8  10.486   8.611   2.961
   61    HZ3  LYS   8           HZ3      LYS   8  11.377   8.780   1.536
   62    H    HIS   9           H        HIS   9   7.647   2.030   3.209
   63    HA   HIS   9           HA       HIS   9   8.719   0.122   5.146
   64    HB2  HIS   9           HB2      HIS   9   7.030   2.437   6.106
   65    HB3  HIS   9           HB3      HIS   9   7.807   1.206   7.089
   66    HD1  HIS   9           HD1      HIS   9   8.420   4.399   5.322
   67    HD2  HIS   9           HD2      HIS   9  10.583   1.618   7.519
   68    HE1  HIS   9           HE1      HIS   9  10.656   5.420   5.660
   69    HE2  HIS   9           HE2      HIS   9  11.996   3.708   6.935
   70    H    SER  10           H        SER  10   6.947  -0.946   6.363
   71    HA   SER  10           HA       SER  10   4.663  -1.465   4.662
   72    HB2  SER  10           HB2      SER  10   5.777  -3.320   5.834
   73    HB3  SER  10           HB3      SER  10   5.415  -2.571   7.385
   74    HG   SER  10           HG       SER  10   3.229  -2.875   6.998
   75    H    GLY  11           H        GLY  11   4.161   0.944   4.982
   76    HA2  GLY  11           HA2      GLY  11   1.840   1.169   6.558
   77    HA3  GLY  11           HA3      GLY  11   3.172   1.952   7.396
   78    H    GLN  12           H        GLN  12   4.570   3.017   5.242
   79    HA   GLN  12           HA       GLN  12   2.901   5.294   4.699
   80    HB2  GLN  12           HB2      GLN  12   4.954   6.189   3.577
   81    HB3  GLN  12           HB3      GLN  12   5.149   5.767   5.268
   82    HG2  GLN  12           HG2      GLN  12   7.092   5.014   4.209
   83    HG3  GLN  12           HG3      GLN  12   6.114   3.577   4.475
   84   HE21  GLN  12          HE21      GLN  12   7.065   5.942   2.063
   85   HE22  GLN  12          HE22      GLN  12   6.836   4.904   0.696
   86    H    CYS  13           H        CYS  13   2.735   2.493   3.319
   87    HA   CYS  13           HA       CYS  13   2.936   3.247   0.519
   88    HB2  CYS  13           HB2      CYS  13   3.493   0.919   1.483
   89    HB3  CYS  13           HB3      CYS  13   1.753   0.678   1.574
   90    H    LEU  14           H        LEU  14   1.014   4.250   2.667
   91    HA   LEU  14           HA       LEU  14  -1.614   3.534   2.097
   92    HB2  LEU  14           HB2      LEU  14  -0.428   6.101   3.118
   93    HB3  LEU  14           HB3      LEU  14  -2.136   5.750   3.124
   94    HG   LEU  14           HG       LEU  14   0.002   4.267   4.640
   95   HD11  LEU  14          HD11      LEU  14  -0.504   6.430   5.576
   96   HD12  LEU  14          HD12      LEU  14  -1.123   5.148   6.618
   97   HD13  LEU  14          HD13      LEU  14  -2.227   6.054   5.581
   98   HD21  LEU  14          HD21      LEU  14  -1.630   2.667   4.009
   99   HD22  LEU  14          HD22      LEU  14  -2.955   3.761   4.417
  100   HD23  LEU  14          HD23      LEU  14  -1.940   3.090   5.693
  101    H    LYS  15           H        LYS  15   0.334   6.198   0.838
  102    HA   LYS  15           HA       LYS  15  -1.604   7.531  -0.569
  103    HB2  LYS  15           HB2      LYS  15   0.430   8.628  -0.179
  104    HB3  LYS  15           HB3      LYS  15   1.372   7.333  -0.906
  105    HG2  LYS  15           HG2      LYS  15   0.402   7.890  -3.070
  106    HG3  LYS  15           HG3      LYS  15  -0.440   9.253  -2.338
  107    HD2  LYS  15           HD2      LYS  15   2.553   8.873  -2.372
  108    HD3  LYS  15           HD3      LYS  15   1.657   9.913  -3.478
  109    HE2  LYS  15           HE2      LYS  15   0.884  11.263  -1.608
  110    HE3  LYS  15           HE3      LYS  15   1.721  10.201  -0.475
  111    HZ1  LYS  15           HZ1      LYS  15   3.020  12.169  -0.895
  112    HZ2  LYS  15           HZ2      LYS  15   2.994  11.882  -2.562
  113    HZ3  LYS  15           HZ3      LYS  15   3.816  10.821  -1.538
  114    HA   PRO  16           HA       PRO  16  -0.626   5.153  -4.600
  115    HB2  PRO  16           HB2      PRO  16   0.782   2.849  -4.523
  116    HB3  PRO  16           HB3      PRO  16   1.561   4.426  -4.704
  117    HG2  PRO  16           HG2      PRO  16   1.224   2.741  -2.256
  118    HG3  PRO  16           HG3      PRO  16   2.657   3.630  -2.812
  119    HD2  PRO  16           HD2      PRO  16   1.003   4.590  -0.883
  120    HD3  PRO  16           HD3      PRO  16   1.876   5.650  -2.006
  121    H    CYS  17           H        CYS  17  -1.048   3.307  -1.670
  122    HA   CYS  17           HA       CYS  17  -2.657   1.241  -2.767
  123    HB2  CYS  17           HB2      CYS  17  -1.465   1.075  -0.597
  124    HB3  CYS  17           HB3      CYS  17  -2.550   2.290   0.070
  125    H    LYS  18           H        LYS  18  -3.279   4.427  -1.446
  126    HA   LYS  18           HA       LYS  18  -6.120   4.223  -1.415
  127    HB2  LYS  18           HB2      LYS  18  -5.023   5.840  -0.022
  128    HB3  LYS  18           HB3      LYS  18  -4.199   6.551  -1.400
  129    HG2  LYS  18           HG2      LYS  18  -6.374   7.311  -2.268
  130    HG3  LYS  18           HG3      LYS  18  -7.150   6.655  -0.823
  131    HD2  LYS  18           HD2      LYS  18  -5.931   8.153   0.589
  132    HD3  LYS  18           HD3      LYS  18  -4.935   8.689  -0.766
  133    HE2  LYS  18           HE2      LYS  18  -7.911   9.115  -0.482
  134    HE3  LYS  18           HE3      LYS  18  -6.671  10.331  -0.186
  135    HZ1  LYS  18           HZ1      LYS  18  -7.226   9.005  -2.783
  136    HZ2  LYS  18           HZ2      LYS  18  -6.001  10.139  -2.514
  137    HZ3  LYS  18           HZ3      LYS  18  -7.624  10.596  -2.376
  138    H    LYS  19           H        LYS  19  -3.696   5.313  -3.709
  139    HA   LYS  19           HA       LYS  19  -5.452   6.328  -5.672
  140    HB2  LYS  19           HB2      LYS  19  -2.966   6.697  -5.570
  141    HB3  LYS  19           HB3      LYS  19  -2.751   5.042  -6.117
  142    HG2  LYS  19           HG2      LYS  19  -3.996   5.597  -8.175
  143    HG3  LYS  19           HG3      LYS  19  -4.088   7.273  -7.630
  144    HD2  LYS  19           HD2      LYS  19  -1.620   7.357  -7.579
  145    HD3  LYS  19           HD3      LYS  19  -1.573   5.709  -8.207
  146    HE2  LYS  19           HE2      LYS  19  -2.869   6.505 -10.183
  147    HE3  LYS  19           HE3      LYS  19  -2.695   8.148  -9.573
  148    HZ1  LYS  19           HZ1      LYS  19  -0.474   6.332 -10.335
  149    HZ2  LYS  19           HZ2      LYS  19  -0.288   7.897  -9.725
  150    HZ3  LYS  19           HZ3      LYS  19  -1.024   7.658 -11.228
  151    H    ALA  20           H        ALA  20  -4.301   3.126  -4.873
  152    HA   ALA  20           HA       ALA  20  -5.398   1.856  -7.197
  153    HB1  ALA  20           HB1      ALA  20  -3.479   0.938  -5.896
  154    HB2  ALA  20           HB2      ALA  20  -4.797  -0.212  -6.130
  155    HB3  ALA  20           HB3      ALA  20  -4.600   0.597  -4.577
  156    H    GLY  21           H        GLY  21  -6.363   2.218  -3.798
  157    HA2  GLY  21           HA2      GLY  21  -8.755   2.944  -3.636
  158    HA3  GLY  21           HA3      GLY  21  -9.111   1.560  -4.648
  159    H    MET  22           H        MET  22  -6.708   1.279  -2.142
  160    HA   MET  22           HA       MET  22  -8.673  -0.283  -0.597
  161    HB2  MET  22           HB2      MET  22  -5.707  -0.758  -0.868
  162    HB3  MET  22           HB3      MET  22  -6.733  -1.589   0.288
  163    HG2  MET  22           HG2      MET  22  -6.560  -3.086  -1.467
  164    HG3  MET  22           HG3      MET  22  -8.116  -2.308  -1.738
  165    HE1  MET  22           HE1      MET  22  -4.408  -2.612  -2.809
  166    HE2  MET  22           HE2      MET  22  -4.480  -0.880  -2.481
  167    HE3  MET  22           HE3      MET  22  -4.275  -1.457  -4.135
  168    H    ARG  23           H        ARG  23  -7.602  -0.635   1.787
  169    HA   ARG  23           HA       ARG  23  -7.838   2.064   2.821
  170    HB2  ARG  23           HB2      ARG  23  -7.863  -0.648   4.129
  171    HB3  ARG  23           HB3      ARG  23  -7.870   0.831   5.069
  172    HG2  ARG  23           HG2      ARG  23  -9.932   1.497   3.778
  173    HG3  ARG  23           HG3      ARG  23  -9.945  -0.150   3.151
  174    HD2  ARG  23           HD2      ARG  23  -9.906   0.451   6.090
  175    HD3  ARG  23           HD3      ARG  23 -11.403   0.306   5.173
  176    HE   ARG  23           HE       ARG  23 -10.014  -1.967   4.578
  177   HH11  ARG  23          HH11      ARG  23 -11.126  -0.476   7.547
  178   HH12  ARG  23          HH12      ARG  23 -11.338  -1.991   8.366
  179   HH21  ARG  23          HH21      ARG  23 -10.268  -3.926   5.653
  180   HH22  ARG  23          HH22      ARG  23 -10.837  -3.957   7.295
  181    H    PHE  24           H        PHE  24  -5.695  -0.599   3.805
  182    HA   PHE  24           HA       PHE  24  -3.607   1.412   4.352
  183    HB2  PHE  24           HB2      PHE  24  -3.302  -1.153   5.716
  184    HB3  PHE  24           HB3      PHE  24  -3.250   0.480   6.388
  185    HD1  PHE  24           HD1      PHE  24  -5.444  -2.232   5.332
  186    HD2  PHE  24           HD2      PHE  24  -5.125   1.343   7.578
  187    HE1  PHE  24           HE1      PHE  24  -7.666  -2.657   6.273
  188    HE2  PHE  24           HE2      PHE  24  -7.352   0.936   8.552
  189    HZ   PHE  24           HZ       PHE  24  -8.625  -1.071   7.905
  190    H    GLY  25           H        GLY  25  -1.376   0.549   4.173
  191    HA2  GLY  25           HA2      GLY  25  -1.189  -1.533   2.099
  192    HA3  GLY  25           HA3      GLY  25  -0.442   0.037   1.840
  193    H    LYS  26           H        LYS  26   0.268  -3.003   2.567
  194    HA   LYS  26           HA       LYS  26   2.357  -2.384   4.519
  195    HB2  LYS  26           HB2      LYS  26   1.212  -4.995   3.532
  196    HB3  LYS  26           HB3      LYS  26   2.649  -4.900   4.542
  197    HG2  LYS  26           HG2      LYS  26   1.345  -3.784   6.282
  198    HG3  LYS  26           HG3      LYS  26  -0.097  -3.914   5.277
  199    HD2  LYS  26           HD2      LYS  26  -0.006  -5.673   6.983
  200    HD3  LYS  26           HD3      LYS  26   0.042  -6.338   5.353
  201    HE2  LYS  26           HE2      LYS  26   1.622  -7.449   6.875
  202    HE3  LYS  26           HE3      LYS  26   2.428  -6.671   5.516
  203    HZ1  LYS  26           HZ1      LYS  26   2.183  -5.472   8.220
  204    HZ2  LYS  26           HZ2      LYS  26   3.091  -4.873   6.925
  205    HZ3  LYS  26           HZ3      LYS  26   3.540  -6.320   7.673
  206    H    CYS  27           H        CYS  27   4.453  -3.630   4.100
  207    HA   CYS  27           HA       CYS  27   5.171  -3.073   1.304
  208    HB2  CYS  27           HB2      CYS  27   6.274  -1.673   3.079
  209    HB3  CYS  27           HB3      CYS  27   7.059  -3.140   3.658
  210    H    ILE  28           H        ILE  28   5.455  -4.775   0.111
  211    HA   ILE  28           HA       ILE  28   6.817  -7.112   1.250
  212    HB   ILE  28           HB       ILE  28   4.505  -7.015  -0.720
  213   HG12  ILE  28          HG12      ILE  28   4.836  -7.977   2.100
  214   HG13  ILE  28          HG13      ILE  28   3.665  -6.835   1.457
  215   HG21  ILE  28          HG21      ILE  28   4.598  -9.438  -0.826
  216   HG22  ILE  28          HG22      ILE  28   6.056  -9.445   0.170
  217   HG23  ILE  28          HG23      ILE  28   6.092  -8.734  -1.444
  218   HD11  ILE  28          HD11      ILE  28   2.614  -8.703   0.217
  219   HD12  ILE  28          HD12      ILE  28   2.541  -8.872   1.969
  220   HD13  ILE  28          HD13      ILE  28   3.710  -9.809   1.040
  221    H    ASN  29           H        ASN  29   7.764  -8.391  -0.825
  222    HA   ASN  29           HA       ASN  29   9.855  -6.771  -1.728
  223    HB2  ASN  29           HB2      ASN  29  10.600  -8.700  -3.007
  224    HB3  ASN  29           HB3      ASN  29  10.033  -9.195  -1.419
  225   HD21  ASN  29          HD21      ASN  29   7.228  -8.638  -2.677
  226   HD22  ASN  29          HD22      ASN  29   6.880 -10.140  -3.469
  227    H    GLY  30           H        GLY  30   8.253  -5.099  -2.592
  228    HA2  GLY  30           HA2      GLY  30   8.262  -3.817  -4.609
  229    HA3  GLY  30           HA3      GLY  30   8.262  -5.322  -5.522
  230    H    LYS  31           H        LYS  31   6.172  -5.511  -2.895
  231    HA   LYS  31           HA       LYS  31   3.890  -4.979  -4.653
  232    HB2  LYS  31           HB2      LYS  31   4.169  -7.334  -4.560
  233    HB3  LYS  31           HB3      LYS  31   4.498  -7.302  -2.837
  234    HG2  LYS  31           HG2      LYS  31   2.127  -6.431  -2.591
  235    HG3  LYS  31           HG3      LYS  31   1.885  -6.984  -4.252
  236    HD2  LYS  31           HD2      LYS  31   2.880  -8.683  -1.972
  237    HD3  LYS  31           HD3      LYS  31   1.219  -8.675  -2.572
  238    HE2  LYS  31           HE2      LYS  31   3.654  -9.411  -4.198
  239    HE3  LYS  31           HE3      LYS  31   2.567 -10.567  -3.434
  240    HZ1  LYS  31           HZ1      LYS  31   0.766  -9.717  -4.804
  241    HZ2  LYS  31           HZ2      LYS  31   2.037 -10.274  -5.762
  242    HZ3  LYS  31           HZ3      LYS  31   1.813  -8.616  -5.544
  243    H    CYS  32           H        CYS  32   2.427  -3.606  -3.773
  244    HA   CYS  32           HA       CYS  32   2.595  -3.020  -0.918
  245    HB2  CYS  32           HB2      CYS  32   2.169  -1.235  -2.777
  246    HB3  CYS  32           HB3      CYS  32   0.530  -1.868  -2.778
  247    H    ASP  33           H        ASP  33   1.884  -4.975  -0.053
  248    HA   ASP  33           HA       ASP  33  -0.645  -6.081  -0.837
  249    HB2  ASP  33           HB2      ASP  33   1.044  -7.579  -0.018
  250    HB3  ASP  33           HB3      ASP  33   1.201  -6.682   1.484
  251    H    CYS  34           H        CYS  34  -2.371  -4.959  -0.473
  252    HA   CYS  34           HA       CYS  34  -2.590  -3.290   1.916
  253    HB2  CYS  34           HB2      CYS  34  -4.085  -3.330  -0.703
  254    HB3  CYS  34           HB3      CYS  34  -4.535  -2.304   0.653
  255    H    THR  35           H        THR  35  -4.758  -3.107   2.909
  256    HA   THR  35           HA       THR  35  -6.384  -5.535   2.591
  257    HB   THR  35           HB       THR  35  -6.317  -3.652   4.961
  258    HG1  THR  35           HG1      THR  35  -5.097  -6.165   4.472
  259   HG21  THR  35          HG21      THR  35  -8.485  -4.861   4.396
  260   HG22  THR  35          HG22      THR  35  -7.839  -5.118   6.021
  261   HG23  THR  35          HG23      THR  35  -7.626  -6.354   4.782
  262    HA   PRO  36           HA       PRO  36  -9.121  -2.546   0.763
  263    HB2  PRO  36           HB2      PRO  36 -10.991  -4.241  -0.103
  264    HB3  PRO  36           HB3      PRO  36  -9.374  -4.219  -0.814
  265    HG2  PRO  36           HG2      PRO  36 -10.540  -6.108   1.189
  266    HG3  PRO  36           HG3      PRO  36  -9.509  -6.454  -0.210
  267    HD2  PRO  36           HD2      PRO  36  -8.606  -6.240   2.392
  268    HD3  PRO  36           HD3      PRO  36  -7.596  -6.020   0.955
  269    H    LYS  37           H        LYS  37 -11.876  -2.877   0.741
  270    HA   LYS  37           HA       LYS  37 -12.487  -2.150   3.482
  271    HB2  LYS  37           HB2      LYS  37 -13.945  -1.882   0.883
  272    HB3  LYS  37           HB3      LYS  37 -14.840  -1.777   2.390
  273    HG2  LYS  37           HG2      LYS  37 -14.328   0.434   1.759
  274    HG3  LYS  37           HG3      LYS  37 -13.241   0.036   3.088
  275    HD2  LYS  37           HD2      LYS  37 -11.765   1.019   1.644
  276    HD3  LYS  37           HD3      LYS  37 -11.633  -0.658   1.117
  277    HE2  LYS  37           HE2      LYS  37 -13.407   1.428  -0.149
  278    HE3  LYS  37           HE3      LYS  37 -11.834   0.932  -0.762
  279    HZ1  LYS  37           HZ1      LYS  37 -12.707  -1.310  -1.050
  280    HZ2  LYS  37           HZ2      LYS  37 -13.601  -0.181  -1.935
  281    HZ3  LYS  37           HZ3      LYS  37 -14.222  -0.806  -0.496
  Start of MODEL   12
    1    H1   VAL   1           H1       VAL   1  -5.896  -9.341  -3.692
    2    H2   VAL   1           H2       VAL   1  -4.586  -9.478  -2.628
    3    H3   VAL   1           H3       VAL   1  -4.358  -9.718  -4.283
    4    HA   VAL   1           HA       VAL   1  -4.872  -7.442  -4.748
    5    HB   VAL   1           HB       VAL   1  -4.944  -5.850  -2.764
    6   HG11  VAL   1          HG11      VAL   1  -7.320  -5.999  -2.541
    7   HG12  VAL   1          HG12      VAL   1  -7.309  -7.693  -3.035
    8   HG13  VAL   1          HG13      VAL   1  -6.891  -6.433  -4.196
    9   HG21  VAL   1          HG21      VAL   1  -4.234  -7.331  -1.008
   10   HG22  VAL   1          HG22      VAL   1  -5.590  -8.414  -1.317
   11   HG23  VAL   1          HG23      VAL   1  -5.881  -6.797  -0.674
   12    H    GLY   2           H        GLY   2  -3.369  -5.499  -3.848
   13    HA2  GLY   2           HA2      GLY   2  -1.177  -5.117  -2.819
   14    HA3  GLY   2           HA3      GLY   2  -0.749  -6.749  -3.319
   15    H    ILE   3           H        ILE   3  -0.477  -3.542  -4.082
   16    HA   ILE   3           HA       ILE   3  -0.700  -3.848  -6.962
   17    HB   ILE   3           HB       ILE   3  -0.450  -1.487  -7.093
   18   HG12  ILE   3          HG12      ILE   3   0.385  -1.557  -4.189
   19   HG13  ILE   3          HG13      ILE   3   1.485  -1.338  -5.541
   20   HG21  ILE   3          HG21      ILE   3  -2.152  -0.711  -5.415
   21   HG22  ILE   3          HG22      ILE   3  -2.053  -2.303  -4.673
   22   HG23  ILE   3          HG23      ILE   3  -2.621  -2.136  -6.335
   23   HD11  ILE   3          HD11      ILE   3  -0.570   0.529  -4.473
   24   HD12  ILE   3          HD12      ILE   3   0.064   0.712  -6.104
   25   HD13  ILE   3          HD13      ILE   3   1.151   0.800  -4.716
   26    H    ASN   4           H        ASN   4   1.122  -2.473  -8.124
   27    HA   ASN   4           HA       ASN   4   3.626  -3.847  -7.438
   28    HB2  ASN   4           HB2      ASN   4   2.709  -4.396  -9.666
   29    HB3  ASN   4           HB3      ASN   4   2.733  -2.688 -10.094
   30   HD21  ASN   4          HD21      ASN   4   4.670  -1.708 -10.595
   31   HD22  ASN   4          HD22      ASN   4   6.125  -2.599 -10.870
   32    H    VAL   5           H        VAL   5   4.520  -2.437  -6.041
   33    HA   VAL   5           HA       VAL   5   5.323   0.170  -7.071
   34    HB   VAL   5           HB       VAL   5   3.071   0.225  -5.722
   35   HG11  VAL   5          HG11      VAL   5   3.369   0.492  -3.331
   36   HG12  VAL   5          HG12      VAL   5   5.070   0.072  -3.484
   37   HG13  VAL   5          HG13      VAL   5   3.827  -1.120  -3.866
   38   HG21  VAL   5          HG21      VAL   5   3.589   2.434  -4.835
   39   HG22  VAL   5          HG22      VAL   5   4.275   2.225  -6.447
   40   HG23  VAL   5          HG23      VAL   5   5.313   2.122  -5.028
   41    H    ASP   6           H        ASP   6   6.624   1.194  -4.986
   42    HA   ASP   6           HA       ASP   6   8.352  -0.960  -3.989
   43    HB2  ASP   6           HB2      ASP   6   9.409   1.631  -5.106
   44    HB3  ASP   6           HB3      ASP   6  10.338   0.255  -4.523
   45    H    CYS   7           H        CYS   7   7.930  -0.852  -1.920
   46    HA   CYS   7           HA       CYS   7   7.642   1.733  -0.602
   47    HB2  CYS   7           HB2      CYS   7   7.099   0.229   1.411
   48    HB3  CYS   7           HB3      CYS   7   5.927   0.335   0.115
   49    H    LYS   8           H        LYS   8   9.197   2.620   0.559
   50    HA   LYS   8           HA       LYS   8  11.447   1.017   1.463
   51    HB2  LYS   8           HB2      LYS   8  10.824   3.928   2.007
   52    HB3  LYS   8           HB3      LYS   8  12.359   3.116   2.277
   53    HG2  LYS   8           HG2      LYS   8  12.654   2.804  -0.101
   54    HG3  LYS   8           HG3      LYS   8  11.068   3.516  -0.408
   55    HD2  LYS   8           HD2      LYS   8  11.796   5.642   0.435
   56    HD3  LYS   8           HD3      LYS   8  13.329   4.954   0.964
   57    HE2  LYS   8           HE2      LYS   8  13.876   4.453  -1.393
   58    HE3  LYS   8           HE3      LYS   8  12.375   5.238  -1.881
   59    HZ1  LYS   8           HZ1      LYS   8  13.185   7.296  -0.895
   60    HZ2  LYS   8           HZ2      LYS   8  14.248   6.739  -2.082
   61    HZ3  LYS   8           HZ3      LYS   8  14.630   6.537  -0.449
   62    H    HIS   9           H        HIS   9   8.382   2.063   2.444
   63    HA   HIS   9           HA       HIS   9   8.668   0.818   5.063
   64    HB2  HIS   9           HB2      HIS   9   7.361   3.523   5.005
   65    HB3  HIS   9           HB3      HIS   9   7.970   2.630   6.387
   66    HD1  HIS   9           HD1      HIS   9   9.041   4.885   3.613
   67    HD2  HIS   9           HD2      HIS   9  10.668   3.083   6.988
   68    HE1  HIS   9           HE1      HIS   9  11.291   5.907   3.892
   69    HE2  HIS   9           HE2      HIS   9  12.311   4.759   5.894
   70    H    SER  10           H        SER  10   6.461   0.658   6.111
   71    HA   SER  10           HA       SER  10   4.493  -0.043   4.122
   72    HB2  SER  10           HB2      SER  10   3.150  -0.692   6.172
   73    HB3  SER  10           HB3      SER  10   4.700  -1.513   5.996
   74    HG   SER  10           HG       SER  10   4.033  -0.463   8.133
   75    H    GLY  11           H        GLY  11   5.188   2.688   6.108
   76    HA2  GLY  11           HA2      GLY  11   2.566   3.775   6.285
   77    HA3  GLY  11           HA3      GLY  11   4.068   4.648   6.533
   78    H    GLN  12           H        GLN  12   5.213   4.263   3.989
   79    HA   GLN  12           HA       GLN  12   3.750   6.227   2.481
   80    HB2  GLN  12           HB2      GLN  12   5.614   6.116   0.903
   81    HB3  GLN  12           HB3      GLN  12   6.199   6.277   2.554
   82    HG2  GLN  12           HG2      GLN  12   6.757   3.947   2.640
   83    HG3  GLN  12           HG3      GLN  12   6.038   3.676   1.051
   84   HE21  GLN  12          HE21      GLN  12   7.109   4.459  -0.786
   85   HE22  GLN  12          HE22      GLN  12   8.784   4.897  -0.742
   86    H    CYS  13           H        CYS  13   3.236   3.081   2.856
   87    HA   CYS  13           HA       CYS  13   2.762   2.311   0.104
   88    HB2  CYS  13           HB2      CYS  13   3.558   0.681   1.795
   89    HB3  CYS  13           HB3      CYS  13   2.076   0.920   2.707
   90    H    LEU  14           H        LEU  14   1.179   3.950   2.585
   91    HA   LEU  14           HA       LEU  14  -1.505   3.193   2.187
   92    HB2  LEU  14           HB2      LEU  14  -0.401   5.827   3.157
   93    HB3  LEU  14           HB3      LEU  14  -2.039   5.261   3.375
   94    HG   LEU  14           HG       LEU  14   0.454   4.129   4.633
   95   HD11  LEU  14          HD11      LEU  14  -0.358   6.162   5.674
   96   HD12  LEU  14          HD12      LEU  14  -0.632   4.773   6.725
   97   HD13  LEU  14          HD13      LEU  14  -1.972   5.467   5.812
   98   HD21  LEU  14          HD21      LEU  14  -0.926   2.268   4.111
   99   HD22  LEU  14          HD22      LEU  14  -2.373   3.105   4.679
  100   HD23  LEU  14          HD23      LEU  14  -1.130   2.617   5.829
  101    H    LYS  15           H        LYS  15   0.251   6.065   1.099
  102    HA   LYS  15           HA       LYS  15  -1.716   7.386  -0.203
  103    HB2  LYS  15           HB2      LYS  15   0.409   8.374   0.297
  104    HB3  LYS  15           HB3      LYS  15   1.238   7.255  -0.775
  105    HG2  LYS  15           HG2      LYS  15   1.129   9.199  -2.012
  106    HG3  LYS  15           HG3      LYS  15  -0.222   8.234  -2.592
  107    HD2  LYS  15           HD2      LYS  15  -0.980  10.494  -2.320
  108    HD3  LYS  15           HD3      LYS  15  -1.718   9.501  -1.062
  109    HE2  LYS  15           HE2      LYS  15  -0.910  11.662  -0.205
  110    HE3  LYS  15           HE3      LYS  15  -0.103  10.294   0.556
  111    HZ1  LYS  15           HZ1      LYS  15   1.011  11.938  -1.649
  112    HZ2  LYS  15           HZ2      LYS  15   1.792  10.642  -0.898
  113    HZ3  LYS  15           HZ3      LYS  15   1.458  12.047  -0.024
  114    HA   PRO  16           HA       PRO  16  -0.685   5.395  -4.437
  115    HB2  PRO  16           HB2      PRO  16   0.695   3.065  -4.548
  116    HB3  PRO  16           HB3      PRO  16   1.480   4.647  -4.600
  117    HG2  PRO  16           HG2      PRO  16   1.149   2.761  -2.308
  118    HG3  PRO  16           HG3      PRO  16   2.565   3.724  -2.772
  119    HD2  PRO  16           HD2      PRO  16   0.876   4.467  -0.773
  120    HD3  PRO  16           HD3      PRO  16   1.753   5.635  -1.776
  121    H    CYS  17           H        CYS  17  -1.266   3.205  -1.739
  122    HA   CYS  17           HA       CYS  17  -2.896   1.443  -3.272
  123    HB2  CYS  17           HB2      CYS  17  -2.047   1.727  -0.445
  124    HB3  CYS  17           HB3      CYS  17  -3.498   0.808  -0.776
  125    H    LYS  18           H        LYS  18  -3.362   4.332  -1.389
  126    HA   LYS  18           HA       LYS  18  -6.229   4.145  -1.363
  127    HB2  LYS  18           HB2      LYS  18  -4.331   6.452  -0.916
  128    HB3  LYS  18           HB3      LYS  18  -6.081   6.610  -0.806
  129    HG2  LYS  18           HG2      LYS  18  -6.099   4.920   0.980
  130    HG3  LYS  18           HG3      LYS  18  -4.338   4.834   0.890
  131    HD2  LYS  18           HD2      LYS  18  -4.192   7.198   1.490
  132    HD3  LYS  18           HD3      LYS  18  -5.952   7.292   1.566
  133    HE2  LYS  18           HE2      LYS  18  -5.950   5.615   3.356
  134    HE3  LYS  18           HE3      LYS  18  -4.189   5.561   3.294
  135    HZ1  LYS  18           HZ1      LYS  18  -4.091   7.842   3.982
  136    HZ2  LYS  18           HZ2      LYS  18  -5.053   6.987   5.079
  137    HZ3  LYS  18           HZ3      LYS  18  -5.775   7.987   3.925
  138    H    LYS  19           H        LYS  19  -3.789   5.209  -3.538
  139    HA   LYS  19           HA       LYS  19  -5.492   6.557  -5.387
  140    HB2  LYS  19           HB2      LYS  19  -3.006   6.812  -5.296
  141    HB3  LYS  19           HB3      LYS  19  -2.850   5.164  -5.878
  142    HG2  LYS  19           HG2      LYS  19  -3.942   5.781  -7.963
  143    HG3  LYS  19           HG3      LYS  19  -4.139   7.434  -7.375
  144    HD2  LYS  19           HD2      LYS  19  -1.680   7.614  -7.172
  145    HD3  LYS  19           HD3      LYS  19  -1.531   5.999  -7.865
  146    HE2  LYS  19           HE2      LYS  19  -2.795   8.375  -9.224
  147    HE3  LYS  19           HE3      LYS  19  -1.167   7.778  -9.528
  148    HZ1  LYS  19           HZ1      LYS  19  -2.696   6.982 -11.193
  149    HZ2  LYS  19           HZ2      LYS  19  -3.690   6.295 -10.013
  150    HZ3  LYS  19           HZ3      LYS  19  -2.134   5.682 -10.269
  151    H    ALA  20           H        ALA  20  -4.382   3.266  -4.898
  152    HA   ALA  20           HA       ALA  20  -5.548   2.173  -7.250
  153    HB1  ALA  20           HB1      ALA  20  -3.674   1.124  -5.982
  154    HB2  ALA  20           HB2      ALA  20  -5.016   0.028  -6.313
  155    HB3  ALA  20           HB3      ALA  20  -4.824   0.725  -4.705
  156    H    GLY  21           H        GLY  21  -6.532   2.145  -3.819
  157    HA2  GLY  21           HA2      GLY  21  -9.026   2.807  -3.721
  158    HA3  GLY  21           HA3      GLY  21  -9.231   1.355  -4.684
  159    H    MET  22           H        MET  22  -6.754   1.301  -2.297
  160    HA   MET  22           HA       MET  22  -8.426  -0.495  -0.701
  161    HB2  MET  22           HB2      MET  22  -5.438  -0.280  -0.988
  162    HB3  MET  22           HB3      MET  22  -6.192  -1.217   0.294
  163    HG2  MET  22           HG2      MET  22  -5.691  -2.747  -1.408
  164    HG3  MET  22           HG3      MET  22  -7.429  -2.459  -1.505
  165    HE1  MET  22           HE1      MET  22  -7.583  -3.483  -3.920
  166    HE2  MET  22           HE2      MET  22  -5.862  -3.860  -3.845
  167    HE3  MET  22           HE3      MET  22  -6.521  -3.025  -5.250
  168    H    ARG  23           H        ARG  23  -7.445  -0.574   1.726
  169    HA   ARG  23           HA       ARG  23  -8.011   2.153   2.666
  170    HB2  ARG  23           HB2      ARG  23  -8.187  -0.534   4.022
  171    HB3  ARG  23           HB3      ARG  23  -8.394   0.978   4.890
  172    HG2  ARG  23           HG2      ARG  23 -10.211   1.508   3.191
  173    HG3  ARG  23           HG3      ARG  23 -10.100  -0.190   2.738
  174    HD2  ARG  23           HD2      ARG  23 -10.561   0.689   5.568
  175    HD3  ARG  23           HD3      ARG  23 -11.883   0.419   4.434
  176    HE   ARG  23           HE       ARG  23 -10.456  -1.880   4.284
  177   HH11  ARG  23          HH11      ARG  23 -11.856  -0.068   6.930
  178   HH12  ARG  23          HH12      ARG  23 -12.113  -1.468   7.920
  179   HH21  ARG  23          HH21      ARG  23 -10.775  -3.716   5.590
  180   HH22  ARG  23          HH22      ARG  23 -11.485  -3.544   7.163
  181    H    PHE  24           H        PHE  24  -5.881  -0.539   3.536
  182    HA   PHE  24           HA       PHE  24  -4.121   1.366   4.928
  183    HB2  PHE  24           HB2      PHE  24  -3.825  -1.586   5.250
  184    HB3  PHE  24           HB3      PHE  24  -3.614  -0.303   6.441
  185    HD1  PHE  24           HD2      PHE  24  -5.578   0.631   7.609
  186    HD2  PHE  24           HD1      PHE  24  -5.905  -2.582   4.855
  187    HE1  PHE  24           HE2      PHE  24  -7.842   0.142   8.446
  188    HE2  PHE  24           HE1      PHE  24  -8.161  -3.077   5.677
  189    HZ   PHE  24           HZ       PHE  24  -9.133  -1.717   7.488
  190    H    GLY  25           H        GLY  25  -1.848  -0.304   5.031
  191    HA2  GLY  25           HA2      GLY  25  -1.178  -1.140   2.357
  192    HA3  GLY  25           HA3      GLY  25  -0.365   0.339   2.858
  193    H    LYS  26           H        LYS  26   0.480  -2.546   2.310
  194    HA   LYS  26           HA       LYS  26   2.147  -2.830   4.715
  195    HB2  LYS  26           HB2      LYS  26   0.228  -4.517   4.553
  196    HB3  LYS  26           HB3      LYS  26   1.062  -5.147   3.144
  197    HG2  LYS  26           HG2      LYS  26   3.059  -5.532   4.603
  198    HG3  LYS  26           HG3      LYS  26   2.025  -5.146   5.983
  199    HD2  LYS  26           HD2      LYS  26   1.571  -7.354   3.973
  200    HD3  LYS  26           HD3      LYS  26   2.125  -7.559   5.636
  201    HE2  LYS  26           HE2      LYS  26   0.038  -6.828   6.507
  202    HE3  LYS  26           HE3      LYS  26  -0.500  -6.268   4.927
  203    HZ1  LYS  26           HZ1      LYS  26  -0.570  -8.534   4.157
  204    HZ2  LYS  26           HZ2      LYS  26  -1.515  -8.377   5.551
  205    HZ3  LYS  26           HZ3      LYS  26   0.011  -9.099   5.643
  206    H    CYS  27           H        CYS  27   4.234  -3.556   4.281
  207    HA   CYS  27           HA       CYS  27   5.022  -3.059   1.512
  208    HB2  CYS  27           HB2      CYS  27   6.060  -1.738   3.382
  209    HB3  CYS  27           HB3      CYS  27   6.810  -3.229   3.942
  210    H    ILE  28           H        ILE  28   5.206  -4.798   0.274
  211    HA   ILE  28           HA       ILE  28   6.345  -7.232   1.447
  212    HB   ILE  28           HB       ILE  28   4.376  -6.761  -0.781
  213   HG12  ILE  28          HG12      ILE  28   4.431  -8.272   1.794
  214   HG13  ILE  28          HG13      ILE  28   3.309  -7.029   1.264
  215   HG21  ILE  28          HG21      ILE  28   4.496  -9.070  -1.461
  216   HG22  ILE  28          HG22      ILE  28   5.785  -9.382  -0.299
  217   HG23  ILE  28          HG23      ILE  28   6.076  -8.315  -1.673
  218   HD11  ILE  28          HD11      ILE  28   2.458  -8.630  -0.437
  219   HD12  ILE  28          HD12      ILE  28   2.158  -9.101   1.237
  220   HD13  ILE  28          HD13      ILE  28   3.451  -9.874   0.319
  221    H    ASN  29           H        ASN  29   7.733  -8.468  -0.200
  222    HA   ASN  29           HA       ASN  29  10.019  -7.054  -0.620
  223    HB2  ASN  29           HB2      ASN  29  10.815  -8.855  -2.056
  224    HB3  ASN  29           HB3      ASN  29   9.928  -9.503  -0.682
  225   HD21  ASN  29          HD21      ASN  29   7.925 -10.473  -1.021
  226   HD22  ASN  29          HD22      ASN  29   7.402 -10.959  -2.597
  227    H    GLY  30           H        GLY  30   7.410  -7.439  -2.995
  228    HA2  GLY  30           HA2      GLY  30   8.522  -5.063  -4.317
  229    HA3  GLY  30           HA3      GLY  30   8.148  -6.473  -5.292
  230    H    LYS  31           H        LYS  31   6.016  -5.975  -2.632
  231    HA   LYS  31           HA       LYS  31   4.044  -4.863  -4.519
  232    HB2  LYS  31           HB2      LYS  31   3.686  -7.135  -2.574
  233    HB3  LYS  31           HB3      LYS  31   2.337  -6.275  -3.296
  234    HG2  LYS  31           HG2      LYS  31   3.033  -6.984  -5.501
  235    HG3  LYS  31           HG3      LYS  31   4.444  -7.792  -4.814
  236    HD2  LYS  31           HD2      LYS  31   2.957  -9.240  -3.501
  237    HD3  LYS  31           HD3      LYS  31   1.559  -8.450  -4.230
  238    HE2  LYS  31           HE2      LYS  31   2.284  -9.217  -6.438
  239    HE3  LYS  31           HE3      LYS  31   3.674 -10.015  -5.702
  240    HZ1  LYS  31           HZ1      LYS  31   1.875 -11.569  -6.110
  241    HZ2  LYS  31           HZ2      LYS  31   0.827 -10.650  -5.156
  242    HZ3  LYS  31           HZ3      LYS  31   2.158 -11.416  -4.450
  243    H    CYS  32           H        CYS  32   2.378  -3.614  -3.620
  244    HA   CYS  32           HA       CYS  32   2.643  -2.986  -0.764
  245    HB2  CYS  32           HB2      CYS  32   1.863  -1.382  -3.058
  246    HB3  CYS  32           HB3      CYS  32   0.598  -1.392  -1.834
  247    H    ASP  33           H        ASP  33   1.760  -4.878  -0.011
  248    HA   ASP  33           HA       ASP  33  -0.755  -5.869  -0.982
  249    HB2  ASP  33           HB2      ASP  33   0.834  -7.466  -0.187
  250    HB3  ASP  33           HB3      ASP  33   1.004  -6.629   1.352
  251    H    CYS  34           H        CYS  34  -2.240  -4.294  -0.695
  252    HA   CYS  34           HA       CYS  34  -2.674  -3.300   2.032
  253    HB2  CYS  34           HB2      CYS  34  -3.547  -2.062  -0.580
  254    HB3  CYS  34           HB3      CYS  34  -3.620  -1.325   1.019
  255    H    THR  35           H        THR  35  -4.734  -3.327   2.905
  256    HA   THR  35           HA       THR  35  -6.562  -5.186   1.574
  257    HB   THR  35           HB       THR  35  -6.560  -4.194   4.436
  258    HG1  THR  35           HG1      THR  35  -4.851  -5.740   3.635
  259   HG21  THR  35          HG21      THR  35  -8.799  -4.829   3.457
  260   HG22  THR  35          HG22      THR  35  -8.299  -5.758   4.873
  261   HG23  THR  35          HG23      THR  35  -8.159  -6.462   3.262
  262    HA   PRO  36           HA       PRO  36  -8.997  -1.627   0.617
  263    HB2  PRO  36           HB2      PRO  36 -10.884  -2.840  -0.821
  264    HB3  PRO  36           HB3      PRO  36  -9.233  -2.713  -1.413
  265    HG2  PRO  36           HG2      PRO  36 -10.637  -5.047  -0.209
  266    HG3  PRO  36           HG3      PRO  36  -9.452  -5.003  -1.524
  267    HD2  PRO  36           HD2      PRO  36  -8.903  -5.644   1.131
  268    HD3  PRO  36           HD3      PRO  36  -7.704  -5.164  -0.083
  269    H    LYS  37           H        LYS  37 -11.698  -1.658   0.289
  270    HA   LYS  37           HA       LYS  37 -12.597  -1.523   3.009
  271    HB2  LYS  37           HB2      LYS  37 -13.956  -1.002   0.379
  272    HB3  LYS  37           HB3      LYS  37 -14.833  -0.955   1.894
  273    HG2  LYS  37           HG2      LYS  37 -14.295   1.268   1.392
  274    HG3  LYS  37           HG3      LYS  37 -13.169   0.784   2.656
  275    HD2  LYS  37           HD2      LYS  37 -11.410   0.479   1.033
  276    HD3  LYS  37           HD3      LYS  37 -12.533   0.789  -0.293
  277    HE2  LYS  37           HE2      LYS  37 -11.853   2.775   1.870
  278    HE3  LYS  37           HE3      LYS  37 -11.091   2.733   0.282
  279    HZ1  LYS  37           HZ1      LYS  37 -12.898   4.355   0.409
  280    HZ2  LYS  37           HZ2      LYS  37 -13.998   3.121   0.766
  281    HZ3  LYS  37           HZ3      LYS  37 -13.219   3.155  -0.737
  Start of MODEL   13
    1    H1   VAL   1           H1       VAL   1  -5.396  -9.243  -2.958
    2    H2   VAL   1           H2       VAL   1  -5.342  -9.185  -4.644
    3    H3   VAL   1           H3       VAL   1  -6.764  -8.765  -3.832
    4    HA   VAL   1           HA       VAL   1  -5.608  -6.814  -4.631
    5    HB   VAL   1           HB       VAL   1  -5.325  -5.628  -2.415
    6   HG11  VAL   1          HG11      VAL   1  -7.665  -5.630  -1.920
    7   HG12  VAL   1          HG12      VAL   1  -7.881  -7.198  -2.694
    8   HG13  VAL   1          HG13      VAL   1  -7.468  -5.785  -3.665
    9   HG21  VAL   1          HG21      VAL   1  -4.568  -7.530  -1.096
   10   HG22  VAL   1          HG22      VAL   1  -6.123  -8.327  -1.330
   11   HG23  VAL   1          HG23      VAL   1  -6.030  -6.831  -0.402
   12    H    GLY   2           H        GLY   2  -3.822  -5.239  -3.579
   13    HA2  GLY   2           HA2      GLY   2  -1.551  -5.137  -2.768
   14    HA3  GLY   2           HA3      GLY   2  -1.324  -6.779  -3.357
   15    H    ILE   3           H        ILE   3  -0.375  -3.776  -3.932
   16    HA   ILE   3           HA       ILE   3  -0.614  -3.940  -6.860
   17    HB   ILE   3           HB       ILE   3  -0.157  -1.597  -6.928
   18   HG12  ILE   3          HG12      ILE   3   0.427  -1.803  -3.962
   19   HG13  ILE   3          HG13      ILE   3   1.620  -1.545  -5.228
   20   HG21  ILE   3          HG21      ILE   3  -1.930  -0.732  -5.298
   21   HG22  ILE   3          HG22      ILE   3  -2.081  -2.401  -4.762
   22   HG23  ILE   3          HG23      ILE   3  -2.426  -1.978  -6.437
   23   HD11  ILE   3          HD11      ILE   3  -0.436   0.332  -4.169
   24   HD12  ILE   3          HD12      ILE   3   0.266   0.572  -5.765
   25   HD13  ILE   3          HD13      ILE   3   1.302   0.561  -4.338
   26    H    ASN   4           H        ASN   4   1.531  -2.587  -7.741
   27    HA   ASN   4           HA       ASN   4   3.712  -4.359  -6.979
   28    HB2  ASN   4           HB2      ASN   4   3.244  -3.937  -9.389
   29    HB3  ASN   4           HB3      ASN   4   3.659  -2.245  -9.148
   30   HD21  ASN   4          HD21      ASN   4   4.858  -5.490  -9.367
   31   HD22  ASN   4          HD22      ASN   4   6.532  -5.076  -9.511
   32    H    VAL   5           H        VAL   5   4.146  -1.032  -7.990
   33    HA   VAL   5           HA       VAL   5   5.272   0.728  -7.113
   34    HB   VAL   5           HB       VAL   5   3.051   0.412  -5.703
   35   HG11  VAL   5          HG11      VAL   5   3.385   0.402  -3.329
   36   HG12  VAL   5          HG12      VAL   5   5.129   0.236  -3.540
   37   HG13  VAL   5          HG13      VAL   5   4.052  -1.071  -4.033
   38   HG21  VAL   5          HG21      VAL   5   3.480   2.540  -4.613
   39   HG22  VAL   5          HG22      VAL   5   4.084   2.544  -6.269
   40   HG23  VAL   5          HG23      VAL   5   5.205   2.365  -4.922
   41    H    ASP   6           H        ASP   6   6.541   1.384  -4.862
   42    HA   ASP   6           HA       ASP   6   8.165  -0.862  -3.977
   43    HB2  ASP   6           HB2      ASP   6  10.239   0.475  -4.242
   44    HB3  ASP   6           HB3      ASP   6   9.453   0.083  -5.761
   45    H    CYS   7           H        CYS   7   7.985  -0.916  -1.863
   46    HA   CYS   7           HA       CYS   7   7.519   1.555  -0.393
   47    HB2  CYS   7           HB2      CYS   7   7.172   0.053   1.574
   48    HB3  CYS   7           HB3      CYS   7   6.037  -0.184   0.266
   49    H    LYS   8           H        LYS   8   9.073   2.611   0.602
   50    HA   LYS   8           HA       LYS   8  11.509   1.289   1.429
   51    HB2  LYS   8           HB2      LYS   8  11.440   3.715   0.770
   52    HB3  LYS   8           HB3      LYS   8  10.444   4.026   2.181
   53    HG2  LYS   8           HG2      LYS   8  12.247   3.229   3.614
   54    HG3  LYS   8           HG3      LYS   8  13.265   2.988   2.194
   55    HD2  LYS   8           HD2      LYS   8  13.008   5.409   1.674
   56    HD3  LYS   8           HD3      LYS   8  12.136   5.601   3.196
   57    HE2  LYS   8           HE2      LYS   8  14.971   4.617   2.905
   58    HE3  LYS   8           HE3      LYS   8  14.497   6.239   3.400
   59    HZ1  LYS   8           HZ1      LYS   8  13.930   3.719   4.870
   60    HZ2  LYS   8           HZ2      LYS   8  13.391   5.251   5.335
   61    HZ3  LYS   8           HZ3      LYS   8  15.044   4.911   5.314
   62    H    HIS   9           H        HIS   9   8.359   1.848   2.503
   63    HA   HIS   9           HA       HIS   9   8.471   0.288   4.825
   64    HB2  HIS   9           HB2      HIS   9   7.941   2.179   6.476
   65    HB3  HIS   9           HB3      HIS   9   9.624   1.999   6.000
   66    HD1  HIS   9           HD1      HIS   9  10.688   3.888   4.695
   67    HD2  HIS   9           HD2      HIS   9   6.665   4.521   5.496
   68    HE1  HIS   9           HE1      HIS   9  10.215   6.226   3.936
   69    HE2  HIS   9           HE2      HIS   9   7.839   6.670   4.659
   70    H    SER  10           H        SER  10   6.367   0.312   5.975
   71    HA   SER  10           HA       SER  10   4.285   0.252   4.056
   72    HB2  SER  10           HB2      SER  10   2.878  -0.253   6.142
   73    HB3  SER  10           HB3      SER  10   4.194  -1.361   5.762
   74    HG   SER  10           HG       SER  10   4.861  -0.947   7.707
   75    H    GLY  11           H        GLY  11   5.251   2.666   6.389
   76    HA2  GLY  11           HA2      GLY  11   2.870   4.093   6.669
   77    HA3  GLY  11           HA3      GLY  11   4.478   4.788   6.796
   78    H    GLN  12           H        GLN  12   5.222   4.147   4.056
   79    HA   GLN  12           HA       GLN  12   3.880   6.409   2.803
   80    HB2  GLN  12           HB2      GLN  12   5.693   6.518   1.297
   81    HB3  GLN  12           HB3      GLN  12   6.417   6.116   2.848
   82    HG2  GLN  12           HG2      GLN  12   6.524   3.767   2.181
   83    HG3  GLN  12           HG3      GLN  12   5.817   4.185   0.623
   84   HE21  GLN  12          HE21      GLN  12   7.521   3.546  -0.596
   85   HE22  GLN  12          HE22      GLN  12   9.056   4.353  -0.594
   86    H    CYS  13           H        CYS  13   3.078   3.349   3.079
   87    HA   CYS  13           HA       CYS  13   2.745   2.652   0.275
   88    HB2  CYS  13           HB2      CYS  13   3.465   0.939   1.913
   89    HB3  CYS  13           HB3      CYS  13   1.948   1.142   2.778
   90    H    LEU  14           H        LEU  14   1.065   4.267   2.685
   91    HA   LEU  14           HA       LEU  14  -1.591   3.468   2.186
   92    HB2  LEU  14           HB2      LEU  14  -0.550   6.108   3.200
   93    HB3  LEU  14           HB3      LEU  14  -2.195   5.548   3.328
   94    HG   LEU  14           HG       LEU  14   0.227   4.416   4.719
   95   HD11  LEU  14          HD11      LEU  14  -0.644   6.439   5.721
   96   HD12  LEU  14          HD12      LEU  14  -0.981   5.047   6.752
   97   HD13  LEU  14          HD13      LEU  14  -2.266   5.745   5.763
   98   HD21  LEU  14          HD21      LEU  14  -1.136   2.553   4.092
   99   HD22  LEU  14          HD22      LEU  14  -2.599   3.372   4.644
  100   HD23  LEU  14          HD23      LEU  14  -1.378   2.864   5.813
  101    H    LYS  15           H        LYS  15   0.255   6.263   1.070
  102    HA   LYS  15           HA       LYS  15  -1.616   7.554  -0.418
  103    HB2  LYS  15           HB2      LYS  15   0.715   8.289   0.170
  104    HB3  LYS  15           HB3      LYS  15   1.281   7.339  -1.198
  105    HG2  LYS  15           HG2      LYS  15  -0.062   8.675  -2.707
  106    HG3  LYS  15           HG3      LYS  15  -0.688   9.582  -1.331
  107    HD2  LYS  15           HD2      LYS  15   1.503  10.455  -0.843
  108    HD3  LYS  15           HD3      LYS  15   2.222   9.448  -2.099
  109    HE2  LYS  15           HE2      LYS  15   1.978  11.722  -2.896
  110    HE3  LYS  15           HE3      LYS  15   0.905  10.649  -3.790
  111    HZ1  LYS  15           HZ1      LYS  15  -0.926  11.380  -2.384
  112    HZ2  LYS  15           HZ2      LYS  15  -0.218  12.685  -3.183
  113    HZ3  LYS  15           HZ3      LYS  15   0.109  12.423  -1.549
  114    HA   PRO  16           HA       PRO  16  -0.533   5.255  -4.473
  115    HB2  PRO  16           HB2      PRO  16   0.864   2.941  -4.409
  116    HB3  PRO  16           HB3      PRO  16   1.652   4.517  -4.535
  117    HG2  PRO  16           HG2      PRO  16   1.265   2.766  -2.143
  118    HG3  PRO  16           HG3      PRO  16   2.696   3.697  -2.630
  119    HD2  PRO  16           HD2      PRO  16   0.960   4.569  -0.720
  120    HD3  PRO  16           HD3      PRO  16   1.873   5.668  -1.765
  121    H    CYS  17           H        CYS  17  -1.090   3.373  -1.604
  122    HA   CYS  17           HA       CYS  17  -2.617   1.308  -2.856
  123    HB2  CYS  17           HB2      CYS  17  -1.433   0.997  -0.708
  124    HB3  CYS  17           HB3      CYS  17  -2.505   2.175   0.042
  125    H    LYS  18           H        LYS  18  -3.259   4.422  -1.446
  126    HA   LYS  18           HA       LYS  18  -6.094   4.135  -1.340
  127    HB2  LYS  18           HB2      LYS  18  -4.661   5.768  -0.010
  128    HB3  LYS  18           HB3      LYS  18  -4.546   6.719  -1.482
  129    HG2  LYS  18           HG2      LYS  18  -6.286   7.597  -0.045
  130    HG3  LYS  18           HG3      LYS  18  -6.975   6.949  -1.536
  131    HD2  LYS  18           HD2      LYS  18  -8.316   6.322   0.410
  132    HD3  LYS  18           HD3      LYS  18  -7.619   4.908  -0.376
  133    HE2  LYS  18           HE2      LYS  18  -5.849   4.845   1.316
  134    HE3  LYS  18           HE3      LYS  18  -6.549   6.261   2.099
  135    HZ1  LYS  18           HZ1      LYS  18  -8.543   4.994   2.548
  136    HZ2  LYS  18           HZ2      LYS  18  -7.197   4.198   3.190
  137    HZ3  LYS  18           HZ3      LYS  18  -7.905   3.642   1.754
  138    H    LYS  19           H        LYS  19  -3.758   5.228  -3.696
  139    HA   LYS  19           HA       LYS  19  -5.648   6.242  -5.566
  140    HB2  LYS  19           HB2      LYS  19  -3.270   6.867  -5.651
  141    HB3  LYS  19           HB3      LYS  19  -2.837   5.203  -6.002
  142    HG2  LYS  19           HG2      LYS  19  -2.777   6.580  -8.005
  143    HG3  LYS  19           HG3      LYS  19  -4.004   5.323  -8.129
  144    HD2  LYS  19           HD2      LYS  19  -5.032   7.245  -8.990
  145    HD3  LYS  19           HD3      LYS  19  -5.666   7.099  -7.356
  146    HE2  LYS  19           HE2      LYS  19  -3.310   8.843  -8.033
  147    HE3  LYS  19           HE3      LYS  19  -4.970   9.419  -8.132
  148    HZ1  LYS  19           HZ1      LYS  19  -4.137  10.051  -6.039
  149    HZ2  LYS  19           HZ2      LYS  19  -3.512   8.519  -5.718
  150    HZ3  LYS  19           HZ3      LYS  19  -5.185   8.758  -5.740
  151    H    ALA  20           H        ALA  20  -4.366   3.111  -4.780
  152    HA   ALA  20           HA       ALA  20  -5.470   1.731  -7.026
  153    HB1  ALA  20           HB1      ALA  20  -3.588   0.881  -5.593
  154    HB2  ALA  20           HB2      ALA  20  -4.887  -0.278  -5.877
  155    HB3  ALA  20           HB3      ALA  20  -4.781   0.566  -4.332
  156    H    GLY  21           H        GLY  21  -6.518   2.486  -3.754
  157    HA2  GLY  21           HA2      GLY  21  -8.871   3.177  -3.594
  158    HA3  GLY  21           HA3      GLY  21  -9.258   1.796  -4.604
  159    H    MET  22           H        MET  22  -6.872   1.344  -2.163
  160    HA   MET  22           HA       MET  22  -8.825  -0.284  -0.693
  161    HB2  MET  22           HB2      MET  22  -5.821  -0.490  -0.850
  162    HB3  MET  22           HB3      MET  22  -6.794  -1.416   0.283
  163    HG2  MET  22           HG2      MET  22  -6.361  -2.840  -1.535
  164    HG3  MET  22           HG3      MET  22  -8.039  -2.329  -1.699
  165    HE1  MET  22           HE1      MET  22  -8.101  -3.148  -4.208
  166    HE2  MET  22           HE2      MET  22  -6.430  -3.695  -4.074
  167    HE3  MET  22           HE3      MET  22  -6.919  -2.673  -5.427
  168    H    ARG  23           H        ARG  23  -7.644  -0.614   1.736
  169    HA   ARG  23           HA       ARG  23  -8.179   2.032   2.837
  170    HB2  ARG  23           HB2      ARG  23  -8.032  -0.696   4.124
  171    HB3  ARG  23           HB3      ARG  23  -8.317   0.785   5.024
  172    HG2  ARG  23           HG2      ARG  23 -10.296   1.146   3.456
  173    HG3  ARG  23           HG3      ARG  23 -10.071  -0.541   3.000
  174    HD2  ARG  23           HD2      ARG  23 -10.379   0.323   5.859
  175    HD3  ARG  23           HD3      ARG  23 -11.758  -0.071   4.837
  176    HE   ARG  23           HE       ARG  23 -10.193  -2.247   4.569
  177   HH11  ARG  23          HH11      ARG  23 -11.325  -0.512   7.400
  178   HH12  ARG  23          HH12      ARG  23 -11.400  -1.934   8.391
  179   HH21  ARG  23          HH21      ARG  23 -10.290  -4.101   5.862
  180   HH22  ARG  23          HH22      ARG  23 -10.820  -3.984   7.512
  181    H    PHE  24           H        PHE  24  -5.835  -0.577   3.365
  182    HA   PHE  24           HA       PHE  24  -3.798   1.438   3.998
  183    HB2  PHE  24           HB2      PHE  24  -3.359  -0.888   5.611
  184    HB3  PHE  24           HB3      PHE  24  -3.589   0.780   6.139
  185    HD1  PHE  24           HD1      PHE  24  -5.418  -2.196   5.023
  186    HD2  PHE  24           HD2      PHE  24  -5.472   1.273   7.450
  187    HE1  PHE  24           HE1      PHE  24  -7.550  -2.931   5.973
  188    HE2  PHE  24           HE2      PHE  24  -7.616   0.560   8.432
  189    HZ   PHE  24           HZ       PHE  24  -8.660  -1.550   7.699
  190    H    GLY  25           H        GLY  25  -1.617   0.562   3.910
  191    HA2  GLY  25           HA2      GLY  25  -1.412  -1.754   2.096
  192    HA3  GLY  25           HA3      GLY  25  -0.420  -0.311   1.906
  193    H    LYS  26           H        LYS  26   0.727  -2.813   2.160
  194    HA   LYS  26           HA       LYS  26   2.134  -2.477   4.706
  195    HB2  LYS  26           HB2      LYS  26   0.335  -4.412   4.606
  196    HB3  LYS  26           HB3      LYS  26   1.588  -5.237   3.691
  197    HG2  LYS  26           HG2      LYS  26   1.764  -5.907   5.967
  198    HG3  LYS  26           HG3      LYS  26   3.140  -4.868   5.594
  199    HD2  LYS  26           HD2      LYS  26   2.039  -2.984   6.656
  200    HD3  LYS  26           HD3      LYS  26   0.605  -3.964   6.958
  201    HE2  LYS  26           HE2      LYS  26   1.995  -5.467   8.358
  202    HE3  LYS  26           HE3      LYS  26   3.352  -4.367   8.130
  203    HZ1  LYS  26           HZ1      LYS  26   2.077  -2.622   9.195
  204    HZ2  LYS  26           HZ2      LYS  26   2.202  -3.962  10.219
  205    HZ3  LYS  26           HZ3      LYS  26   0.761  -3.663   9.390
  206    H    CYS  27           H        CYS  27   4.323  -3.081   4.599
  207    HA   CYS  27           HA       CYS  27   5.325  -3.078   1.863
  208    HB2  CYS  27           HB2      CYS  27   6.228  -1.433   3.502
  209    HB3  CYS  27           HB3      CYS  27   6.878  -2.773   4.441
  210    H    ILE  28           H        ILE  28   5.438  -5.012   1.000
  211    HA   ILE  28           HA       ILE  28   6.372  -7.258   2.626
  212    HB   ILE  28           HB       ILE  28   4.928  -7.085  -0.037
  213   HG12  ILE  28          HG12      ILE  28   4.197  -7.973   2.733
  214   HG13  ILE  28          HG13      ILE  28   3.437  -6.741   1.734
  215   HG21  ILE  28          HG21      ILE  28   4.714  -9.565   0.088
  216   HG22  ILE  28          HG22      ILE  28   6.000  -9.559   1.296
  217   HG23  ILE  28          HG23      ILE  28   6.318  -8.986  -0.342
  218   HD11  ILE  28          HD11      ILE  28   2.591  -8.485   0.246
  219   HD12  ILE  28          HD12      ILE  28   2.039  -8.708   1.906
  220   HD13  ILE  28          HD13      ILE  28   3.340  -9.711   1.265
  221    H    ASN  29           H        ASN  29   7.658  -8.728   0.439
  222    HA   ASN  29           HA       ASN  29  10.206  -7.549   0.503
  223    HB2  ASN  29           HB2      ASN  29  10.945  -9.357  -0.890
  224    HB3  ASN  29           HB3      ASN  29   9.761  -9.986   0.243
  225   HD21  ASN  29          HD21      ASN  29   7.567  -8.738  -1.405
  226   HD22  ASN  29          HD22      ASN  29   7.366  -9.818  -2.734
  227    H    GLY  30           H        GLY  30   8.622  -5.525  -0.520
  228    HA2  GLY  30           HA2      GLY  30   9.708  -3.940  -2.052
  229    HA3  GLY  30           HA3      GLY  30   9.777  -5.243  -3.220
  230    H    LYS  31           H        LYS  31   6.836  -5.562  -1.737
  231    HA   LYS  31           HA       LYS  31   5.568  -3.919  -3.827
  232    HB2  LYS  31           HB2      LYS  31   3.885  -5.665  -4.072
  233    HB3  LYS  31           HB3      LYS  31   5.497  -6.319  -4.345
  234    HG2  LYS  31           HG2      LYS  31   5.531  -7.331  -2.185
  235    HG3  LYS  31           HG3      LYS  31   4.023  -6.536  -1.738
  236    HD2  LYS  31           HD2      LYS  31   3.683  -8.884  -2.314
  237    HD3  LYS  31           HD3      LYS  31   2.826  -7.811  -3.422
  238    HE2  LYS  31           HE2      LYS  31   4.604  -8.087  -5.070
  239    HE3  LYS  31           HE3      LYS  31   5.489  -9.128  -3.955
  240    HZ1  LYS  31           HZ1      LYS  31   2.812  -9.697  -5.099
  241    HZ2  LYS  31           HZ2      LYS  31   3.655 -10.696  -4.029
  242    HZ3  LYS  31           HZ3      LYS  31   4.264 -10.416  -5.580
  243    H    CYS  32           H        CYS  32   3.402  -3.205  -3.369
  244    HA   CYS  32           HA       CYS  32   2.880  -2.881  -0.506
  245    HB2  CYS  32           HB2      CYS  32   2.265  -1.267  -2.902
  246    HB3  CYS  32           HB3      CYS  32   0.976  -1.365  -1.708
  247    H    ASP  33           H        ASP  33   2.077  -5.002  -0.176
  248    HA   ASP  33           HA       ASP  33  -0.401  -5.751  -1.420
  249    HB2  ASP  33           HB2      ASP  33   0.969  -7.536  -0.645
  250    HB3  ASP  33           HB3      ASP  33   1.110  -6.820   0.959
  251    H    CYS  34           H        CYS  34  -2.375  -5.143  -0.825
  252    HA   CYS  34           HA       CYS  34  -2.541  -3.299   1.455
  253    HB2  CYS  34           HB2      CYS  34  -4.067  -3.451  -1.138
  254    HB3  CYS  34           HB3      CYS  34  -4.558  -2.421   0.200
  255    H    THR  35           H        THR  35  -4.671  -3.120   2.518
  256    HA   THR  35           HA       THR  35  -6.283  -5.568   2.286
  257    HB   THR  35           HB       THR  35  -5.963  -3.789   4.718
  258    HG1  THR  35           HG1      THR  35  -4.849  -6.243   3.931
  259   HG21  THR  35          HG21      THR  35  -8.247  -4.868   4.249
  260   HG22  THR  35          HG22      THR  35  -7.515  -5.159   5.832
  261   HG23  THR  35          HG23      THR  35  -7.441  -6.404   4.584
  262    HA   PRO  36           HA       PRO  36  -9.118  -2.480   0.804
  263    HB2  PRO  36           HB2      PRO  36 -10.931  -4.140  -0.235
  264    HB3  PRO  36           HB3      PRO  36  -9.321  -4.000  -0.947
  265    HG2  PRO  36           HG2      PRO  36 -10.438  -6.134   0.809
  266    HG3  PRO  36           HG3      PRO  36  -9.332  -6.274  -0.567
  267    HD2  PRO  36           HD2      PRO  36  -8.596  -6.263   2.132
  268    HD3  PRO  36           HD3      PRO  36  -7.507  -5.998   0.760
  269    H    LYS  37           H        LYS  37 -11.844  -2.946   0.760
  270    HA   LYS  37           HA       LYS  37 -12.477  -2.663   3.579
  271    HB2  LYS  37           HB2      LYS  37 -14.805  -2.092   2.598
  272    HB3  LYS  37           HB3      LYS  37 -13.498  -0.935   2.417
  273    HG2  LYS  37           HG2      LYS  37 -13.881  -2.883   0.221
  274    HG3  LYS  37           HG3      LYS  37 -15.107  -1.631   0.417
  275    HD2  LYS  37           HD2      LYS  37 -13.292   0.071   0.376
  276    HD3  LYS  37           HD3      LYS  37 -12.142  -1.222   0.025
  277    HE2  LYS  37           HE2      LYS  37 -13.239  -1.719  -2.047
  278    HE3  LYS  37           HE3      LYS  37 -14.555  -0.607  -1.673
  279    HZ1  LYS  37           HZ1      LYS  37 -11.720   0.144  -2.156
  280    HZ2  LYS  37           HZ2      LYS  37 -12.963   1.220  -1.749
  281    HZ3  LYS  37           HZ3      LYS  37 -13.017   0.389  -3.219
  Start of MODEL   14
    1    H1   VAL   1           H1       VAL   1  -5.414  -8.918  -4.787
    2    H2   VAL   1           H2       VAL   1  -6.809  -8.532  -3.913
    3    H3   VAL   1           H3       VAL   1  -5.431  -9.086  -3.107
    4    HA   VAL   1           HA       VAL   1  -5.605  -6.567  -4.636
    5    HB   VAL   1           HB       VAL   1  -5.340  -5.484  -2.372
    6   HG11  VAL   1          HG11      VAL   1  -7.670  -5.419  -1.938
    7   HG12  VAL   1          HG12      VAL   1  -7.920  -7.006  -2.666
    8   HG13  VAL   1          HG13      VAL   1  -7.482  -5.629  -3.678
    9   HG21  VAL   1          HG21      VAL   1  -4.617  -7.447  -1.124
   10   HG22  VAL   1          HG22      VAL   1  -6.182  -8.212  -1.398
   11   HG23  VAL   1          HG23      VAL   1  -6.074  -6.754  -0.413
   12    H    GLY   2           H        GLY   2  -3.799  -5.082  -3.652
   13    HA2  GLY   2           HA2      GLY   2  -1.504  -5.041  -2.841
   14    HA3  GLY   2           HA3      GLY   2  -1.323  -6.676  -3.464
   15    H    ILE   3           H        ILE   3  -0.277  -3.698  -4.021
   16    HA   ILE   3           HA       ILE   3  -0.576  -3.855  -6.948
   17    HB   ILE   3           HB       ILE   3  -0.477  -1.549  -7.100
   18   HG12  ILE   3          HG12      ILE   3   0.880  -1.582  -4.400
   19   HG13  ILE   3          HG13      ILE   3   1.589  -1.144  -5.944
   20   HG21  ILE   3          HG21      ILE   3  -1.980  -0.627  -5.367
   21   HG22  ILE   3          HG22      ILE   3  -1.750  -2.095  -4.420
   22   HG23  ILE   3          HG23      ILE   3  -2.532  -2.176  -5.998
   23   HD11  ILE   3          HD11      ILE   3  -0.332   0.392  -4.264
   24   HD12  ILE   3          HD12      ILE   3  -0.104   0.763  -5.971
   25   HD13  ILE   3          HD13      ILE   3   1.255   0.876  -4.851
   26    H    ASN   4           H        ASN   4   1.346  -2.577  -7.998
   27    HA   ASN   4           HA       ASN   4   3.808  -3.884  -7.043
   28    HB2  ASN   4           HB2      ASN   4   2.933  -4.601  -9.283
   29    HB3  ASN   4           HB3      ASN   4   3.136  -2.950  -9.849
   30   HD21  ASN   4          HD21      ASN   4   4.334  -5.450 -10.770
   31   HD22  ASN   4          HD22      ASN   4   6.047  -5.217 -10.687
   32    H    VAL   5           H        VAL   5   4.765  -2.364  -5.808
   33    HA   VAL   5           HA       VAL   5   5.273   0.266  -6.977
   34    HB   VAL   5           HB       VAL   5   3.119   0.196  -5.549
   35   HG11  VAL   5          HG11      VAL   5   3.439   0.461  -3.160
   36   HG12  VAL   5          HG12      VAL   5   5.159   0.140  -3.343
   37   HG13  VAL   5          HG13      VAL   5   3.980  -1.118  -3.717
   38   HG21  VAL   5          HG21      VAL   5   3.419   2.426  -4.788
   39   HG22  VAL   5          HG22      VAL   5   4.345   2.257  -6.279
   40   HG23  VAL   5          HG23      VAL   5   5.167   2.237  -4.721
   41    H    ASP   6           H        ASP   6   6.548   1.517  -5.013
   42    HA   ASP   6           HA       ASP   6   8.627  -0.362  -4.130
   43    HB2  ASP   6           HB2      ASP   6   9.057   2.330  -5.387
   44    HB3  ASP   6           HB3      ASP   6  10.294   1.424  -4.531
   45    H    CYS   7           H        CYS   7   7.948  -0.377  -2.125
   46    HA   CYS   7           HA       CYS   7   7.788   2.092  -0.587
   47    HB2  CYS   7           HB2      CYS   7   7.158   0.447   1.283
   48    HB3  CYS   7           HB3      CYS   7   6.001   0.693  -0.011
   49    H    LYS   8           H        LYS   8   9.404   2.765   0.701
   50    HA   LYS   8           HA       LYS   8  11.630   1.017   1.293
   51    HB2  LYS   8           HB2      LYS   8  11.972   3.453   0.932
   52    HB3  LYS   8           HB3      LYS   8  10.960   3.785   2.327
   53    HG2  LYS   8           HG2      LYS   8  13.263   3.988   2.946
   54    HG3  LYS   8           HG3      LYS   8  12.551   2.583   3.742
   55    HD2  LYS   8           HD2      LYS   8  13.514   1.154   1.947
   56    HD3  LYS   8           HD3      LYS   8  14.333   2.580   1.309
   57    HE2  LYS   8           HE2      LYS   8  15.863   1.326   2.685
   58    HE3  LYS   8           HE3      LYS   8  15.474   2.850   3.481
   59    HZ1  LYS   8           HZ1      LYS   8  15.443   1.019   5.041
   60    HZ2  LYS   8           HZ2      LYS   8  14.286   0.203   4.117
   61    HZ3  LYS   8           HZ3      LYS   8  13.886   1.662   4.874
   62    H    HIS   9           H        HIS   9   8.584   1.751   2.482
   63    HA   HIS   9           HA       HIS   9   8.715   0.018   4.715
   64    HB2  HIS   9           HB2      HIS   9   8.115   1.889   6.404
   65    HB3  HIS   9           HB3      HIS   9   9.807   1.672   5.979
   66    HD1  HIS   9           HD1      HIS   9  10.976   3.572   4.774
   67    HD2  HIS   9           HD2      HIS   9   6.926   4.264   5.389
   68    HE1  HIS   9           HE1      HIS   9  10.584   5.947   4.066
   69    HE2  HIS   9           HE2      HIS   9   8.189   6.418   4.718
   70    H    SER  10           H        SER  10   6.658  -0.177   5.780
   71    HA   SER  10           HA       SER  10   4.527  -0.228   3.955
   72    HB2  SER  10           HB2      SER  10   4.765  -1.782   5.838
   73    HB3  SER  10           HB3      SER  10   4.491  -0.468   6.971
   74    HG   SER  10           HG       SER  10   2.437  -0.263   5.554
   75    H    GLY  11           H        GLY  11   5.454   2.168   6.339
   76    HA2  GLY  11           HA2      GLY  11   3.043   3.517   6.675
   77    HA3  GLY  11           HA3      GLY  11   4.629   4.253   6.821
   78    H    GLN  12           H        GLN  12   5.320   3.721   4.002
   79    HA   GLN  12           HA       GLN  12   3.959   6.073   2.950
   80    HB2  GLN  12           HB2      GLN  12   5.721   6.253   1.371
   81    HB3  GLN  12           HB3      GLN  12   6.472   5.831   2.903
   82    HG2  GLN  12           HG2      GLN  12   6.626   3.503   2.183
   83    HG3  GLN  12           HG3      GLN  12   5.884   3.933   0.641
   84   HE21  GLN  12          HE21      GLN  12   7.060   5.209  -0.823
   85   HE22  GLN  12          HE22      GLN  12   8.781   5.346  -0.714
   86    H    CYS  13           H        CYS  13   3.237   2.928   2.955
   87    HA   CYS  13           HA       CYS  13   2.812   2.528   0.112
   88    HB2  CYS  13           HB2      CYS  13   3.245   0.807   2.237
   89    HB3  CYS  13           HB3      CYS  13   1.528   0.613   1.913
   90    H    LEU  14           H        LEU  14   1.231   4.021   2.613
   91    HA   LEU  14           HA       LEU  14  -1.449   3.273   2.239
   92    HB2  LEU  14           HB2      LEU  14  -0.307   5.868   3.256
   93    HB3  LEU  14           HB3      LEU  14  -1.959   5.343   3.454
   94    HG   LEU  14           HG       LEU  14   0.498   4.104   4.684
   95   HD11  LEU  14          HD11      LEU  14  -0.242   6.129   5.781
   96   HD12  LEU  14          HD12      LEU  14  -0.574   4.724   6.794
   97   HD13  LEU  14          HD13      LEU  14  -1.883   5.493   5.896
   98   HD21  LEU  14          HD21      LEU  14  -0.976   2.311   4.090
   99   HD22  LEU  14          HD22      LEU  14  -2.364   3.168   4.759
  100   HD23  LEU  14          HD23      LEU  14  -1.091   2.582   5.829
  101    H    LYS  15           H        LYS  15   0.325   6.116   1.085
  102    HA   LYS  15           HA       LYS  15  -1.683   7.406  -0.257
  103    HB2  LYS  15           HB2      LYS  15   0.843   8.000   0.193
  104    HB3  LYS  15           HB3      LYS  15   1.054   7.395  -1.441
  105    HG2  LYS  15           HG2      LYS  15  -0.891   9.557  -0.702
  106    HG3  LYS  15           HG3      LYS  15   0.756   9.867  -1.245
  107    HD2  LYS  15           HD2      LYS  15   0.278   8.759  -3.362
  108    HD3  LYS  15           HD3      LYS  15  -1.360   8.398  -2.818
  109    HE2  LYS  15           HE2      LYS  15  -1.840  10.785  -2.659
  110    HE3  LYS  15           HE3      LYS  15  -0.196  11.158  -3.171
  111    HZ1  LYS  15           HZ1      LYS  15  -0.662  10.054  -5.284
  112    HZ2  LYS  15           HZ2      LYS  15  -1.718  11.344  -5.012
  113    HZ3  LYS  15           HZ3      LYS  15  -2.255   9.757  -4.793
  114    HA   PRO  16           HA       PRO  16  -0.714   5.192  -4.405
  115    HB2  PRO  16           HB2      PRO  16   0.729   2.893  -4.386
  116    HB3  PRO  16           HB3      PRO  16   1.468   4.486  -4.584
  117    HG2  PRO  16           HG2      PRO  16   1.252   2.782  -2.136
  118    HG3  PRO  16           HG3      PRO  16   2.637   3.726  -2.724
  119    HD2  PRO  16           HD2      PRO  16   1.014   4.617  -0.740
  120    HD3  PRO  16           HD3      PRO  16   1.803   5.711  -1.885
  121    H    CYS  17           H        CYS  17  -1.122   3.282  -1.525
  122    HA   CYS  17           HA       CYS  17  -2.720   1.232  -2.673
  123    HB2  CYS  17           HB2      CYS  17  -1.522   1.049  -0.496
  124    HB3  CYS  17           HB3      CYS  17  -2.647   2.218   0.187
  125    H    LYS  18           H        LYS  18  -3.353   4.368  -1.238
  126    HA   LYS  18           HA       LYS  18  -6.203   4.162  -1.275
  127    HB2  LYS  18           HB2      LYS  18  -4.284   6.472  -1.022
  128    HB3  LYS  18           HB3      LYS  18  -6.025   6.714  -1.067
  129    HG2  LYS  18           HG2      LYS  18  -4.671   4.923   0.931
  130    HG3  LYS  18           HG3      LYS  18  -4.970   6.638   1.217
  131    HD2  LYS  18           HD2      LYS  18  -7.130   4.655   0.511
  132    HD3  LYS  18           HD3      LYS  18  -6.702   5.091   2.166
  133    HE2  LYS  18           HE2      LYS  18  -7.233   7.431   1.685
  134    HE3  LYS  18           HE3      LYS  18  -7.658   6.996   0.031
  135    HZ1  LYS  18           HZ1      LYS  18  -9.601   7.214   1.474
  136    HZ2  LYS  18           HZ2      LYS  18  -9.020   5.969   2.458
  137    HZ3  LYS  18           HZ3      LYS  18  -9.453   5.648   0.858
  138    H    LYS  19           H        LYS  19  -3.747   5.255  -3.504
  139    HA   LYS  19           HA       LYS  19  -5.528   6.393  -5.411
  140    HB2  LYS  19           HB2      LYS  19  -3.109   6.921  -5.335
  141    HB3  LYS  19           HB3      LYS  19  -2.747   5.270  -5.815
  142    HG2  LYS  19           HG2      LYS  19  -3.782   5.609  -7.958
  143    HG3  LYS  19           HG3      LYS  19  -4.337   7.212  -7.479
  144    HD2  LYS  19           HD2      LYS  19  -2.387   7.437  -8.876
  145    HD3  LYS  19           HD3      LYS  19  -1.970   7.905  -7.228
  146    HE2  LYS  19           HE2      LYS  19  -0.188   6.569  -8.108
  147    HE3  LYS  19           HE3      LYS  19  -1.033   5.628  -6.882
  148    HZ1  LYS  19           HZ1      LYS  19  -1.346   5.362  -9.823
  149    HZ2  LYS  19           HZ2      LYS  19  -2.234   4.492  -8.676
  150    HZ3  LYS  19           HZ3      LYS  19  -0.562   4.271  -8.797
  151    H    ALA  20           H        ALA  20  -4.319   3.196  -4.747
  152    HA   ALA  20           HA       ALA  20  -5.202   2.008  -7.181
  153    HB1  ALA  20           HB1      ALA  20  -3.411   1.040  -5.788
  154    HB2  ALA  20           HB2      ALA  20  -4.712  -0.108  -6.114
  155    HB3  ALA  20           HB3      ALA  20  -4.606   0.682  -4.542
  156    H    GLY  21           H        GLY  21  -6.473   1.926  -3.839
  157    HA2  GLY  21           HA2      GLY  21  -9.003   2.550  -4.075
  158    HA3  GLY  21           HA3      GLY  21  -9.040   1.017  -4.922
  159    H    MET  22           H        MET  22  -6.785   1.042  -2.371
  160    HA   MET  22           HA       MET  22  -8.723  -0.446  -0.734
  161    HB2  MET  22           HB2      MET  22  -5.709  -0.623  -0.798
  162    HB3  MET  22           HB3      MET  22  -6.716  -1.451   0.378
  163    HG2  MET  22           HG2      MET  22  -6.215  -3.053  -1.246
  164    HG3  MET  22           HG3      MET  22  -7.867  -2.551  -1.586
  165    HE1  MET  22           HE1      MET  22  -4.134  -2.386  -2.654
  166    HE2  MET  22           HE2      MET  22  -4.473  -0.671  -2.425
  167    HE3  MET  22           HE3      MET  22  -4.171  -1.302  -4.042
  168    H    ARG  23           H        ARG  23  -7.585  -0.437   1.723
  169    HA   ARG  23           HA       ARG  23  -7.945   2.385   2.438
  170    HB2  ARG  23           HB2      ARG  23  -8.249  -0.164   4.030
  171    HB3  ARG  23           HB3      ARG  23  -8.362   1.433   4.750
  172    HG2  ARG  23           HG2      ARG  23 -10.199   1.922   3.108
  173    HG3  ARG  23           HG3      ARG  23 -10.152   0.214   2.682
  174    HD2  ARG  23           HD2      ARG  23 -10.549   1.171   5.501
  175    HD3  ARG  23           HD3      ARG  23 -11.891   0.888   4.392
  176    HE   ARG  23           HE       ARG  23 -10.452  -1.425   4.305
  177   HH11  ARG  23          HH11      ARG  23 -11.966   0.431   6.864
  178   HH12  ARG  23          HH12      ARG  23 -12.245  -0.957   7.866
  179   HH21  ARG  23          HH21      ARG  23 -10.818  -3.226   5.608
  180   HH22  ARG  23          HH22      ARG  23 -11.590  -3.042   7.152
  181    H    PHE  24           H        PHE  24  -6.020  -0.394   3.497
  182    HA   PHE  24           HA       PHE  24  -3.856   1.464   4.226
  183    HB2  PHE  24           HB2      PHE  24  -3.703  -0.997   5.707
  184    HB3  PHE  24           HB3      PHE  24  -3.807   0.652   6.318
  185    HD1  PHE  24           HD1      PHE  24  -5.896  -2.049   4.908
  186    HD2  PHE  24           HD2      PHE  24  -5.693   1.264   7.554
  187    HE1  PHE  24           HE1      PHE  24  -8.156  -2.564   5.695
  188    HE2  PHE  24           HE2      PHE  24  -7.967   0.758   8.357
  189    HZ   PHE  24           HZ       PHE  24  -9.199  -1.159   7.433
  190    H    GLY  25           H        GLY  25  -1.719   0.512   4.164
  191    HA2  GLY  25           HA2      GLY  25  -1.506  -1.740   2.283
  192    HA3  GLY  25           HA3      GLY  25  -0.690  -0.223   1.928
  193    H    LYS  26           H        LYS  26   0.450  -2.873   2.345
  194    HA   LYS  26           HA       LYS  26   2.262  -2.176   4.541
  195    HB2  LYS  26           HB2      LYS  26   0.684  -4.059   5.162
  196    HB3  LYS  26           HB3      LYS  26   1.435  -4.996   3.878
  197    HG2  LYS  26           HG2      LYS  26   3.608  -4.770   4.996
  198    HG3  LYS  26           HG3      LYS  26   2.819  -3.899   6.311
  199    HD2  LYS  26           HD2      LYS  26   1.444  -5.861   6.792
  200    HD3  LYS  26           HD3      LYS  26   2.212  -6.730   5.461
  201    HE2  LYS  26           HE2      LYS  26   3.631  -5.647   7.892
  202    HE3  LYS  26           HE3      LYS  26   3.164  -7.330   7.652
  203    HZ1  LYS  26           HZ1      LYS  26   4.630  -7.464   5.765
  204    HZ2  LYS  26           HZ2      LYS  26   5.502  -6.898   7.099
  205    HZ3  LYS  26           HZ3      LYS  26   5.022  -5.822   5.891
  206    H    CYS  27           H        CYS  27   4.401  -2.862   4.250
  207    HA   CYS  27           HA       CYS  27   5.108  -3.106   1.423
  208    HB2  CYS  27           HB2      CYS  27   6.139  -1.322   2.903
  209    HB3  CYS  27           HB3      CYS  27   6.980  -2.622   3.743
  210    H    ILE  28           H        ILE  28   5.534  -5.061   0.632
  211    HA   ILE  28           HA       ILE  28   6.540  -7.073   2.526
  212    HB   ILE  28           HB       ILE  28   4.530  -7.476   0.295
  213   HG12  ILE  28          HG12      ILE  28   4.364  -7.357   3.292
  214   HG13  ILE  28          HG13      ILE  28   3.413  -6.483   2.098
  215   HG21  ILE  28          HG21      ILE  28   4.476  -9.731   0.671
  216   HG22  ILE  28          HG22      ILE  28   5.224  -9.608   2.265
  217   HG23  ILE  28          HG23      ILE  28   6.206  -9.409   0.813
  218   HD11  ILE  28          HD11      ILE  28   2.275  -8.560   1.499
  219   HD12  ILE  28          HD12      ILE  28   2.080  -8.165   3.207
  220   HD13  ILE  28          HD13      ILE  28   3.218  -9.421   2.715
  221    H    ASN  29           H        ASN  29   6.330  -8.464  -0.524
  222    HA   ASN  29           HA       ASN  29   9.221  -8.214  -0.766
  223    HB2  ASN  29           HB2      ASN  29   8.940 -10.087  -2.459
  224    HB3  ASN  29           HB3      ASN  29   8.527 -10.471  -0.797
  225   HD21  ASN  29          HD21      ASN  29   6.496  -8.627  -2.989
  226   HD22  ASN  29          HD22      ASN  29   5.251  -9.821  -3.136
  227    H    GLY  30           H        GLY  30   8.209  -5.888  -1.433
  228    HA2  GLY  30           HA2      GLY  30   8.617  -4.367  -3.169
  229    HA3  GLY  30           HA3      GLY  30   8.721  -5.717  -4.294
  230    H    LYS  31           H        LYS  31   6.055  -5.971  -2.268
  231    HA   LYS  31           HA       LYS  31   4.308  -4.765  -4.307
  232    HB2  LYS  31           HB2      LYS  31   2.685  -6.506  -3.881
  233    HB3  LYS  31           HB3      LYS  31   4.231  -7.265  -4.244
  234    HG2  LYS  31           HG2      LYS  31   4.627  -7.669  -1.894
  235    HG3  LYS  31           HG3      LYS  31   3.134  -6.830  -1.476
  236    HD2  LYS  31           HD2      LYS  31   3.291  -9.331  -3.152
  237    HD3  LYS  31           HD3      LYS  31   2.942  -9.293  -1.427
  238    HE2  LYS  31           HE2      LYS  31   0.967  -7.860  -1.920
  239    HE3  LYS  31           HE3      LYS  31   1.295  -8.072  -3.637
  240    HZ1  LYS  31           HZ1      LYS  31  -0.398  -9.612  -2.833
  241    HZ2  LYS  31           HZ2      LYS  31   0.700 -10.270  -1.729
  242    HZ3  LYS  31           HZ3      LYS  31   0.967 -10.441  -3.391
  243    H    CYS  32           H        CYS  32   2.499  -3.660  -3.544
  244    HA   CYS  32           HA       CYS  32   2.545  -2.983  -0.701
  245    HB2  CYS  32           HB2      CYS  32   2.166  -1.291  -2.700
  246    HB3  CYS  32           HB3      CYS  32   0.518  -1.900  -2.624
  247    H    ASP  33           H        ASP  33   1.861  -5.075   0.030
  248    HA   ASP  33           HA       ASP  33  -0.646  -6.133  -0.886
  249    HB2  ASP  33           HB2      ASP  33   1.229  -7.531   0.011
  250    HB3  ASP  33           HB3      ASP  33   0.902  -6.873   1.607
  251    H    CYS  34           H        CYS  34  -2.448  -5.156  -0.445
  252    HA   CYS  34           HA       CYS  34  -2.629  -3.464   1.940
  253    HB2  CYS  34           HB2      CYS  34  -3.974  -3.387  -0.749
  254    HB3  CYS  34           HB3      CYS  34  -4.550  -2.434   0.610
  255    H    THR  35           H        THR  35  -4.873  -3.119   2.758
  256    HA   THR  35           HA       THR  35  -6.619  -5.448   2.360
  257    HB   THR  35           HB       THR  35  -6.327  -3.763   4.864
  258    HG1  THR  35           HG1      THR  35  -5.844  -6.538   4.402
  259   HG21  THR  35          HG21      THR  35  -8.682  -4.549   4.201
  260   HG22  THR  35          HG22      THR  35  -8.108  -4.964   5.820
  261   HG23  THR  35          HG23      THR  35  -8.089  -6.178   4.540
  262    HA   PRO  36           HA       PRO  36  -9.050  -2.199   0.598
  263    HB2  PRO  36           HB2      PRO  36 -10.994  -3.722  -0.412
  264    HB3  PRO  36           HB3      PRO  36  -9.351  -3.815  -1.039
  265    HG2  PRO  36           HG2      PRO  36 -10.771  -5.646   0.845
  266    HG3  PRO  36           HG3      PRO  36  -9.690  -6.042  -0.502
  267    HD2  PRO  36           HD2      PRO  36  -8.937  -5.952   2.161
  268    HD3  PRO  36           HD3      PRO  36  -7.826  -5.810   0.789
  269    H    LYS  37           H        LYS  37 -11.845  -2.361   0.436
  270    HA   LYS  37           HA       LYS  37 -12.556  -1.742   3.191
  271    HB2  LYS  37           HB2      LYS  37 -14.067  -1.308   0.612
  272    HB3  LYS  37           HB3      LYS  37 -14.679  -0.873   2.198
  273    HG2  LYS  37           HG2      LYS  37 -13.847   1.137   1.556
  274    HG3  LYS  37           HG3      LYS  37 -12.406   0.468   2.318
  275    HD2  LYS  37           HD2      LYS  37 -11.706   1.399   0.257
  276    HD3  LYS  37           HD3      LYS  37 -11.727  -0.350   0.023
  277    HE2  LYS  37           HE2      LYS  37 -13.940  -0.161  -1.036
  278    HE3  LYS  37           HE3      LYS  37 -13.880   1.586  -0.827
  279    HZ1  LYS  37           HZ1      LYS  37 -13.244   0.900  -3.065
  280    HZ2  LYS  37           HZ2      LYS  37 -11.965  -0.008  -2.440
  281    HZ3  LYS  37           HZ3      LYS  37 -11.964   1.672  -2.275
  Start of MODEL   15
    1    H1   VAL   1           H1       VAL   1  -5.236  -9.194  -3.099
    2    H2   VAL   1           H2       VAL   1  -4.969  -8.954  -4.747
    3    H3   VAL   1           H3       VAL   1  -6.493  -8.645  -4.086
    4    HA   VAL   1           HA       VAL   1  -5.328  -6.599  -4.507
    5    HB   VAL   1           HB       VAL   1  -5.289  -5.686  -2.135
    6   HG11  VAL   1          HG11      VAL   1  -7.660  -5.669  -1.956
    7   HG12  VAL   1          HG12      VAL   1  -7.800  -7.192  -2.838
    8   HG13  VAL   1          HG13      VAL   1  -7.280  -5.733  -3.678
    9   HG21  VAL   1          HG21      VAL   1  -4.679  -7.744  -0.987
   10   HG22  VAL   1          HG22      VAL   1  -6.187  -8.496  -1.505
   11   HG23  VAL   1          HG23      VAL   1  -6.221  -7.132  -0.389
   12    H    GLY   2           H        GLY   2  -3.686  -5.106  -3.275
   13    HA2  GLY   2           HA2      GLY   2  -1.442  -4.962  -2.403
   14    HA3  GLY   2           HA3      GLY   2  -1.152  -6.585  -3.023
   15    H    ILE   3           H        ILE   3  -0.465  -3.435  -3.562
   16    HA   ILE   3           HA       ILE   3  -1.143  -3.367  -6.384
   17    HB   ILE   3           HB       ILE   3  -0.689  -1.045  -6.301
   18   HG12  ILE   3          HG12      ILE   3   0.622  -1.558  -3.623
   19   HG13  ILE   3          HG13      ILE   3   1.467  -1.174  -5.116
   20   HG21  ILE   3          HG21      ILE   3  -2.042  -0.330  -4.339
   21   HG22  ILE   3          HG22      ILE   3  -1.920  -1.966  -3.703
   22   HG23  ILE   3          HG23      ILE   3  -2.756  -1.672  -5.225
   23   HD11  ILE   3          HD11      ILE   3  -0.421   0.612  -3.624
   24   HD12  ILE   3          HD12      ILE   3   0.352   1.009  -5.154
   25   HD13  ILE   3          HD13      ILE   3   1.330   0.771  -3.705
   26    H    ASN   4           H        ASN   4   0.567  -2.105  -7.715
   27    HA   ASN   4           HA       ASN   4   3.055  -3.663  -7.531
   28    HB2  ASN   4           HB2      ASN   4   1.609  -4.013  -9.561
   29    HB3  ASN   4           HB3      ASN   4   1.874  -2.324  -9.978
   30   HD21  ASN   4          HD21      ASN   4   3.326  -5.473  -9.714
   31   HD22  ASN   4          HD22      ASN   4   4.737  -5.118 -10.646
   32    H    VAL   5           H        VAL   5   4.236  -2.321  -6.251
   33    HA   VAL   5           HA       VAL   5   4.946   0.308  -7.285
   34    HB   VAL   5           HB       VAL   5   2.860   0.301  -5.626
   35   HG11  VAL   5          HG11      VAL   5   3.472   0.626  -3.328
   36   HG12  VAL   5          HG12      VAL   5   5.162   0.298  -3.708
   37   HG13  VAL   5          HG13      VAL   5   3.954  -0.974  -3.890
   38   HG21  VAL   5          HG21      VAL   5   3.451   2.551  -4.898
   39   HG22  VAL   5          HG22      VAL   5   3.879   2.305  -6.591
   40   HG23  VAL   5          HG23      VAL   5   5.131   2.270  -5.352
   41    H    ASP   6           H        ASP   6   6.496   1.281  -5.357
   42    HA   ASP   6           HA       ASP   6   8.147  -0.923  -4.372
   43    HB2  ASP   6           HB2      ASP   6  10.192   0.270  -4.904
   44    HB3  ASP   6           HB3      ASP   6   9.243  -0.009  -6.353
   45    H    CYS   7           H        CYS   7   7.968  -0.873  -2.299
   46    HA   CYS   7           HA       CYS   7   7.529   1.657  -0.917
   47    HB2  CYS   7           HB2      CYS   7   7.205   0.121   1.096
   48    HB3  CYS   7           HB3      CYS   7   5.995   0.050  -0.167
   49    H    LYS   8           H        LYS   8   9.027   2.664   0.225
   50    HA   LYS   8           HA       LYS   8  11.483   1.334   0.969
   51    HB2  LYS   8           HB2      LYS   8  11.423   3.778   0.462
   52    HB3  LYS   8           HB3      LYS   8  10.381   4.015   1.855
   53    HG2  LYS   8           HG2      LYS   8  12.116   3.267   3.331
   54    HG3  LYS   8           HG3      LYS   8  13.170   2.908   1.967
   55    HD2  LYS   8           HD2      LYS   8  13.199   5.272   1.357
   56    HD3  LYS   8           HD3      LYS   8  12.117   5.638   2.704
   57    HE2  LYS   8           HE2      LYS   8  14.486   6.129   3.212
   58    HE3  LYS   8           HE3      LYS   8  13.784   4.928   4.295
   59    HZ1  LYS   8           HZ1      LYS   8  16.009   4.311   3.546
   60    HZ2  LYS   8           HZ2      LYS   8  15.485   4.313   1.942
   61    HZ3  LYS   8           HZ3      LYS   8  14.855   3.188   3.033
   62    H    HIS   9           H        HIS   9   8.324   1.871   2.176
   63    HA   HIS   9           HA       HIS   9   8.561   0.056   4.310
   64    HB2  HIS   9           HB2      HIS   9   8.030   1.776   6.161
   65    HB3  HIS   9           HB3      HIS   9   9.707   1.620   5.652
   66    HD1  HIS   9           HD1      HIS   9  10.771   3.609   4.465
   67    HD2  HIS   9           HD2      HIS   9   6.795   4.221   5.497
   68    HE1  HIS   9           HE1      HIS   9  10.293   6.007   3.910
   69    HE2  HIS   9           HE2      HIS   9   7.988   6.425   4.853
   70    H    SER  10           H        SER  10   6.494   0.137   5.702
   71    HA   SER  10           HA       SER  10   4.341   0.007   3.884
   72    HB2  SER  10           HB2      SER  10   2.996  -0.441   5.976
   73    HB3  SER  10           HB3      SER  10   4.388  -1.499   5.728
   74    HG   SER  10           HG       SER  10   3.999  -0.430   7.900
   75    H    GLY  11           H        GLY  11   5.393   2.467   6.129
   76    HA2  GLY  11           HA2      GLY  11   3.127   4.036   6.362
   77    HA3  GLY  11           HA3      GLY  11   4.768   4.662   6.361
   78    H    GLN  12           H        GLN  12   5.466   3.949   3.695
   79    HA   GLN  12           HA       GLN  12   3.908   5.978   2.307
   80    HB2  GLN  12           HB2      GLN  12   5.696   5.718   0.511
   81    HB3  GLN  12           HB3      GLN  12   6.175   6.429   2.037
   82    HG2  GLN  12           HG2      GLN  12   7.395   4.577   2.673
   83    HG3  GLN  12           HG3      GLN  12   6.578   3.523   1.521
   84   HE21  GLN  12          HE21      GLN  12   8.874   6.161   1.838
   85   HE22  GLN  12          HE22      GLN  12   9.674   5.885   0.331
   86    H    CYS  13           H        CYS  13   3.242   2.957   2.769
   87    HA   CYS  13           HA       CYS  13   2.626   2.242   0.014
   88    HB2  CYS  13           HB2      CYS  13   2.228   0.870   2.664
   89    HB3  CYS  13           HB3      CYS  13   1.406   0.303   1.216
   90    H    LEU  14           H        LEU  14   1.256   3.910   2.628
   91    HA   LEU  14           HA       LEU  14  -1.449   3.222   2.424
   92    HB2  LEU  14           HB2      LEU  14  -0.235   5.821   3.342
   93    HB3  LEU  14           HB3      LEU  14  -1.856   5.273   3.683
   94    HG   LEU  14           HG       LEU  14   0.710   4.049   4.690
   95   HD11  LEU  14          HD11      LEU  14   0.070   6.116   5.809
   96   HD12  LEU  14          HD12      LEU  14  -0.107   4.727   6.880
   97   HD13  LEU  14          HD13      LEU  14  -1.531   5.453   6.134
   98   HD21  LEU  14          HD21      LEU  14  -0.831   2.264   4.271
   99   HD22  LEU  14          HD22      LEU  14  -2.143   3.149   5.048
  100   HD23  LEU  14          HD23      LEU  14  -0.786   2.564   6.010
  101    H    LYS  15           H        LYS  15   0.226   6.093   1.190
  102    HA   LYS  15           HA       LYS  15  -1.937   7.266  -0.041
  103    HB2  LYS  15           HB2      LYS  15  -0.064   8.605   0.357
  104    HB3  LYS  15           HB3      LYS  15   1.025   7.485  -0.442
  105    HG2  LYS  15           HG2      LYS  15   0.785   9.375  -1.841
  106    HG3  LYS  15           HG3      LYS  15  -0.086   8.028  -2.568
  107    HD2  LYS  15           HD2      LYS  15  -1.546   9.828  -2.838
  108    HD3  LYS  15           HD3      LYS  15  -2.163   9.002  -1.410
  109    HE2  LYS  15           HE2      LYS  15  -0.297  11.364  -1.289
  110    HE3  LYS  15           HE3      LYS  15  -2.050  11.514  -1.261
  111    HZ1  LYS  15           HZ1      LYS  15  -1.262  11.566   0.960
  112    HZ2  LYS  15           HZ2      LYS  15  -0.334  10.173   0.752
  113    HZ3  LYS  15           HZ3      LYS  15  -2.021  10.071   0.745
  114    HA   PRO  16           HA       PRO  16  -0.703   5.352  -4.266
  115    HB2  PRO  16           HB2      PRO  16   0.861   3.106  -4.252
  116    HB3  PRO  16           HB3      PRO  16   1.484   4.741  -4.497
  117    HG2  PRO  16           HG2      PRO  16   1.502   3.047  -2.044
  118    HG3  PRO  16           HG3      PRO  16   2.733   4.169  -2.645
  119    HD2  PRO  16           HD2      PRO  16   1.030   4.783  -0.614
  120    HD3  PRO  16           HD3      PRO  16   1.707   5.998  -1.714
  121    H    CYS  17           H        CYS  17  -1.136   3.341  -1.469
  122    HA   CYS  17           HA       CYS  17  -2.588   1.257  -2.764
  123    HB2  CYS  17           HB2      CYS  17  -1.503   0.958  -0.573
  124    HB3  CYS  17           HB3      CYS  17  -2.609   2.130   0.134
  125    H    LYS  18           H        LYS  18  -3.426   4.294  -1.210
  126    HA   LYS  18           HA       LYS  18  -6.262   3.856  -1.448
  127    HB2  LYS  18           HB2      LYS  18  -4.573   6.214  -0.650
  128    HB3  LYS  18           HB3      LYS  18  -6.317   6.353  -0.844
  129    HG2  LYS  18           HG2      LYS  18  -6.604   4.560   0.837
  130    HG3  LYS  18           HG3      LYS  18  -4.856   4.546   1.072
  131    HD2  LYS  18           HD2      LYS  18  -4.893   6.818   1.859
  132    HD3  LYS  18           HD3      LYS  18  -6.606   6.970   1.469
  133    HE2  LYS  18           HE2      LYS  18  -6.302   6.632   3.854
  134    HE3  LYS  18           HE3      LYS  18  -7.129   5.251   3.137
  135    HZ1  LYS  18           HZ1      LYS  18  -4.229   5.359   3.759
  136    HZ2  LYS  18           HZ2      LYS  18  -5.078   4.018   3.162
  137    HZ3  LYS  18           HZ3      LYS  18  -5.398   4.599   4.716
  138    H    LYS  19           H        LYS  19  -3.724   5.321  -3.295
  139    HA   LYS  19           HA       LYS  19  -5.374   6.546  -5.261
  140    HB2  LYS  19           HB2      LYS  19  -2.941   7.046  -4.890
  141    HB3  LYS  19           HB3      LYS  19  -2.562   5.477  -5.585
  142    HG2  LYS  19           HG2      LYS  19  -3.553   6.153  -7.698
  143    HG3  LYS  19           HG3      LYS  19  -3.984   7.717  -7.006
  144    HD2  LYS  19           HD2      LYS  19  -1.584   8.154  -6.597
  145    HD3  LYS  19           HD3      LYS  19  -1.198   6.628  -7.395
  146    HE2  LYS  19           HE2      LYS  19  -2.635   8.960  -8.655
  147    HE3  LYS  19           HE3      LYS  19  -0.939   8.546  -8.905
  148    HZ1  LYS  19           HZ1      LYS  19  -1.630   6.444  -9.872
  149    HZ2  LYS  19           HZ2      LYS  19  -2.333   7.739 -10.705
  150    HZ3  LYS  19           HZ3      LYS  19  -3.259   6.834  -9.621
  151    H    ALA  20           H        ALA  20  -4.162   3.342  -4.684
  152    HA   ALA  20           HA       ALA  20  -4.881   2.227  -7.209
  153    HB1  ALA  20           HB1      ALA  20  -3.208   1.222  -5.654
  154    HB2  ALA  20           HB2      ALA  20  -4.449   0.092  -6.197
  155    HB3  ALA  20           HB3      ALA  20  -4.540   0.788  -4.581
  156    H    GLY  21           H        GLY  21  -6.361   2.084  -3.967
  157    HA2  GLY  21           HA2      GLY  21  -8.873   2.697  -4.291
  158    HA3  GLY  21           HA3      GLY  21  -8.869   1.210  -5.224
  159    H    MET  22           H        MET  22  -6.709   1.022  -2.636
  160    HA   MET  22           HA       MET  22  -8.716  -0.470  -1.094
  161    HB2  MET  22           HB2      MET  22  -5.708  -0.779  -1.123
  162    HB3  MET  22           HB3      MET  22  -6.800  -1.681  -0.084
  163    HG2  MET  22           HG2      MET  22  -6.298  -3.123  -1.853
  164    HG3  MET  22           HG3      MET  22  -7.913  -2.508  -2.202
  165    HE1  MET  22           HE1      MET  22  -6.413  -2.899  -5.793
  166    HE2  MET  22           HE2      MET  22  -7.761  -3.288  -4.724
  167    HE3  MET  22           HE3      MET  22  -6.163  -3.965  -4.411
  168    H    ARG  23           H        ARG  23  -7.534  -0.646   1.362
  169    HA   ARG  23           HA       ARG  23  -7.822   2.151   2.193
  170    HB2  ARG  23           HB2      ARG  23  -8.268  -0.437   3.681
  171    HB3  ARG  23           HB3      ARG  23  -8.311   1.133   4.465
  172    HG2  ARG  23           HG2      ARG  23 -10.081   1.755   2.739
  173    HG3  ARG  23           HG3      ARG  23 -10.156   0.031   2.386
  174    HD2  ARG  23           HD2      ARG  23 -10.498   1.136   5.158
  175    HD3  ARG  23           HD3      ARG  23 -11.847   0.919   4.046
  176    HE   ARG  23           HE       ARG  23 -10.466  -1.496   4.170
  177   HH11  ARG  23          HH11      ARG  23 -12.360   0.561   6.277
  178   HH12  ARG  23          HH12      ARG  23 -12.925  -0.753   7.259
  179   HH21  ARG  23          HH21      ARG  23 -11.195  -3.215   5.466
  180   HH22  ARG  23          HH22      ARG  23 -12.258  -2.898   6.801
  181    H    PHE  24           H        PHE  24  -6.200  -0.619   3.689
  182    HA   PHE  24           HA       PHE  24  -4.041   1.189   4.509
  183    HB2  PHE  24           HB2      PHE  24  -3.971  -1.477   5.669
  184    HB3  PHE  24           HB3      PHE  24  -4.020   0.088   6.476
  185    HD1  PHE  24           HD1      PHE  24  -6.124  -2.434   4.809
  186    HD2  PHE  24           HD2      PHE  24  -5.982   0.806   7.545
  187    HE1  PHE  24           HE1      PHE  24  -8.450  -2.883   5.436
  188    HE2  PHE  24           HE2      PHE  24  -8.317   0.364   8.189
  189    HZ   PHE  24           HZ       PHE  24  -9.553  -1.484   7.139
  190    H    GLY  25           H        GLY  25  -1.850   0.298   4.514
  191    HA2  GLY  25           HA2      GLY  25  -1.405  -1.730   2.447
  192    HA3  GLY  25           HA3      GLY  25  -0.720  -0.131   2.209
  193    H    LYS  26           H        LYS  26   0.422  -2.883   2.653
  194    HA   LYS  26           HA       LYS  26   2.307  -2.124   4.790
  195    HB2  LYS  26           HB2      LYS  26   0.793  -4.003   5.462
  196    HB3  LYS  26           HB3      LYS  26   1.395  -4.914   4.091
  197    HG2  LYS  26           HG2      LYS  26   3.654  -4.846   5.058
  198    HG3  LYS  26           HG3      LYS  26   2.995  -4.012   6.468
  199    HD2  LYS  26           HD2      LYS  26   1.586  -5.902   6.983
  200    HD3  LYS  26           HD3      LYS  26   2.088  -6.723   5.504
  201    HE2  LYS  26           HE2      LYS  26   4.381  -6.831   6.342
  202    HE3  LYS  26           HE3      LYS  26   3.884  -6.005   7.817
  203    HZ1  LYS  26           HZ1      LYS  26   4.006  -8.375   8.167
  204    HZ2  LYS  26           HZ2      LYS  26   2.922  -8.658   6.901
  205    HZ3  LYS  26           HZ3      LYS  26   2.403  -7.860   8.296
  206    H    CYS  27           H        CYS  27   4.462  -2.865   4.442
  207    HA   CYS  27           HA       CYS  27   5.088  -3.158   1.596
  208    HB2  CYS  27           HB2      CYS  27   6.182  -1.287   2.775
  209    HB3  CYS  27           HB3      CYS  27   6.902  -2.424   3.909
  210    H    ILE  28           H        ILE  28   5.599  -5.101   0.865
  211    HA   ILE  28           HA       ILE  28   6.375  -7.123   2.855
  212    HB   ILE  28           HB       ILE  28   4.516  -7.421   0.487
  213   HG12  ILE  28          HG12      ILE  28   4.139  -7.324   3.467
  214   HG13  ILE  28          HG13      ILE  28   3.353  -6.355   2.226
  215   HG21  ILE  28          HG21      ILE  28   4.301  -9.658   0.828
  216   HG22  ILE  28          HG22      ILE  28   4.905  -9.594   2.485
  217   HG23  ILE  28          HG23      ILE  28   6.029  -9.455   1.129
  218   HD11  ILE  28          HD11      ILE  28   2.129  -8.345   1.480
  219   HD12  ILE  28          HD12      ILE  28   1.805  -7.943   3.167
  220   HD13  ILE  28          HD13      ILE  28   2.889  -9.276   2.770
  221    H    ASN  29           H        ASN  29   6.251  -8.481  -0.223
  222    HA   ASN  29           HA       ASN  29   9.157  -8.562  -0.250
  223    HB2  ASN  29           HB2      ASN  29   8.783 -10.350  -2.018
  224    HB3  ASN  29           HB3      ASN  29   8.207 -10.718  -0.400
  225   HD21  ASN  29          HD21      ASN  29   6.577  -8.614  -2.723
  226   HD22  ASN  29          HD22      ASN  29   5.210  -9.647  -2.958
  227    H    GLY  30           H        GLY  30   8.341  -6.121  -0.918
  228    HA2  GLY  30           HA2      GLY  30   9.134  -4.653  -2.596
  229    HA3  GLY  30           HA3      GLY  30   9.014  -5.961  -3.763
  230    H    LYS  31           H        LYS  31   6.284  -6.073  -1.936
  231    HA   LYS  31           HA       LYS  31   4.831  -4.357  -3.829
  232    HB2  LYS  31           HB2      LYS  31   2.957  -5.882  -3.676
  233    HB3  LYS  31           HB3      LYS  31   4.394  -6.795  -4.112
  234    HG2  LYS  31           HG2      LYS  31   4.634  -7.588  -1.848
  235    HG3  LYS  31           HG3      LYS  31   3.283  -6.588  -1.324
  236    HD2  LYS  31           HD2      LYS  31   3.138  -8.889  -3.269
  237    HD3  LYS  31           HD3      LYS  31   2.624  -8.915  -1.584
  238    HE2  LYS  31           HE2      LYS  31   1.034  -7.038  -2.176
  239    HE3  LYS  31           HE3      LYS  31   1.427  -7.357  -3.863
  240    HZ1  LYS  31           HZ1      LYS  31   0.682  -9.684  -3.471
  241    HZ2  LYS  31           HZ2      LYS  31  -0.552  -8.540  -3.328
  242    HZ3  LYS  31           HZ3      LYS  31   0.135  -9.215  -1.939
  243    H    CYS  32           H        CYS  32   3.367  -2.939  -3.008
  244    HA   CYS  32           HA       CYS  32   3.071  -2.773  -0.132
  245    HB2  CYS  32           HB2      CYS  32   2.179  -1.060  -2.453
  246    HB3  CYS  32           HB3      CYS  32   1.442  -0.848  -0.860
  247    H    ASP  33           H        ASP  33   2.081  -4.747   0.288
  248    HA   ASP  33           HA       ASP  33  -0.329  -5.525  -1.046
  249    HB2  ASP  33           HB2      ASP  33   1.294  -7.143  -0.121
  250    HB3  ASP  33           HB3      ASP  33   0.898  -6.584   1.499
  251    H    CYS  34           H        CYS  34  -2.422  -5.376  -0.316
  252    HA   CYS  34           HA       CYS  34  -2.802  -3.472   1.894
  253    HB2  CYS  34           HB2      CYS  34  -4.022  -3.434  -0.863
  254    HB3  CYS  34           HB3      CYS  34  -4.608  -2.452   0.472
  255    H    THR  35           H        THR  35  -5.019  -3.346   2.692
  256    HA   THR  35           HA       THR  35  -6.692  -5.666   2.004
  257    HB   THR  35           HB       THR  35  -6.636  -4.125   4.619
  258    HG1  THR  35           HG1      THR  35  -5.871  -6.792   3.935
  259   HG21  THR  35          HG21      THR  35  -8.901  -4.950   3.796
  260   HG22  THR  35          HG22      THR  35  -8.389  -5.518   5.388
  261   HG23  THR  35          HG23      THR  35  -8.259  -6.583   3.989
  262    HA   PRO  36           HA       PRO  36  -9.083  -2.393   0.261
  263    HB2  PRO  36           HB2      PRO  36 -11.086  -3.854  -0.743
  264    HB3  PRO  36           HB3      PRO  36  -9.449  -3.980  -1.382
  265    HG2  PRO  36           HG2      PRO  36 -10.881  -5.784   0.527
  266    HG3  PRO  36           HG3      PRO  36  -9.861  -6.206  -0.860
  267    HD2  PRO  36           HD2      PRO  36  -8.992  -6.193   1.746
  268    HD3  PRO  36           HD3      PRO  36  -7.930  -5.975   0.344
  269    H    LYS  37           H        LYS  37 -11.883  -2.452   0.107
  270    HA   LYS  37           HA       LYS  37 -12.491  -1.624   2.825
  271    HB2  LYS  37           HB2      LYS  37 -13.982  -1.279   0.230
  272    HB3  LYS  37           HB3      LYS  37 -14.652  -0.806   1.780
  273    HG2  LYS  37           HG2      LYS  37 -13.794   1.169   0.931
  274    HG3  LYS  37           HG3      LYS  37 -12.540   0.622   2.039
  275    HD2  LYS  37           HD2      LYS  37 -11.442   1.358   0.070
  276    HD3  LYS  37           HD3      LYS  37 -11.383  -0.404   0.053
  277    HE2  LYS  37           HE2      LYS  37 -11.932   0.443  -2.152
  278    HE3  LYS  37           HE3      LYS  37 -13.299  -0.443  -1.483
  279    HZ1  LYS  37           HZ1      LYS  37 -13.021   2.518  -1.486
  280    HZ2  LYS  37           HZ2      LYS  37 -14.356   1.640  -0.923
  281    HZ3  LYS  37           HZ3      LYS  37 -13.968   1.624  -2.567
  Start of MODEL   16
    1    H1   VAL   1           H1       VAL   1  -4.870  -9.397  -4.307
    2    H2   VAL   1           H2       VAL   1  -6.333  -8.973  -3.578
    3    H3   VAL   1           H3       VAL   1  -4.977  -9.303  -2.626
    4    HA   VAL   1           HA       VAL   1  -5.238  -7.057  -4.521
    5    HB   VAL   1           HB       VAL   1  -5.100  -5.661  -2.419
    6   HG11  VAL   1          HG11      VAL   1  -7.451  -5.696  -2.058
    7   HG12  VAL   1          HG12      VAL   1  -7.571  -7.371  -2.597
    8   HG13  VAL   1          HG13      VAL   1  -7.178  -6.100  -3.754
    9   HG21  VAL   1          HG21      VAL   1  -4.308  -7.424  -0.913
   10   HG22  VAL   1          HG22      VAL   1  -5.840  -8.276  -1.105
   11   HG23  VAL   1          HG23      VAL   1  -5.801  -6.696  -0.324
   12    H    GLY   2           H        GLY   2  -3.564  -5.318  -3.558
   13    HA2  GLY   2           HA2      GLY   2  -1.268  -5.128  -2.752
   14    HA3  GLY   2           HA3      GLY   2  -0.984  -6.734  -3.415
   15    H    ILE   3           H        ILE   3  -0.096  -3.748  -3.932
   16    HA   ILE   3           HA       ILE   3  -0.776  -3.663  -6.789
   17    HB   ILE   3           HB       ILE   3  -0.292  -1.297  -6.707
   18   HG12  ILE   3          HG12      ILE   3   0.481  -1.816  -3.827
   19   HG13  ILE   3          HG13      ILE   3   1.566  -1.326  -5.121
   20   HG21  ILE   3          HG21      ILE   3  -2.023  -0.623  -5.009
   21   HG22  ILE   3          HG22      ILE   3  -2.053  -2.300  -4.476
   22   HG23  ILE   3          HG23      ILE   3  -2.526  -1.891  -6.124
   23   HD11  ILE   3          HD11      ILE   3  -0.610   0.278  -3.838
   24   HD12  ILE   3          HD12      ILE   3   0.213   0.776  -5.313
   25   HD13  ILE   3          HD13      ILE   3   1.122   0.588  -3.812
   26    H    ASN   4           H        ASN   4   1.071  -2.163  -7.885
   27    HA   ASN   4           HA       ASN   4   3.402  -3.944  -7.779
   28    HB2  ASN   4           HB2      ASN   4   2.109  -3.749  -9.910
   29    HB3  ASN   4           HB3      ASN   4   2.556  -2.050  -9.987
   30   HD21  ASN   4          HD21      ASN   4   3.778  -5.332 -10.083
   31   HD22  ASN   4          HD22      ASN   4   5.239  -4.959 -10.929
   32    H    VAL   5           H        VAL   5   2.516  -1.117  -6.531
   33    HA   VAL   5           HA       VAL   5   4.760   0.538  -7.036
   34    HB   VAL   5           HB       VAL   5   2.350   0.694  -5.474
   35   HG11  VAL   5          HG11      VAL   5   3.547   0.483  -3.460
   36   HG12  VAL   5          HG12      VAL   5   3.287   2.211  -3.687
   37   HG13  VAL   5          HG13      VAL   5   4.862   1.501  -4.042
   38   HG21  VAL   5          HG21      VAL   5   2.903   3.155  -5.646
   39   HG22  VAL   5          HG22      VAL   5   2.728   2.270  -7.161
   40   HG23  VAL   5          HG23      VAL   5   4.335   2.665  -6.549
   41    H    ASP   6           H        ASP   6   6.451   1.061  -5.568
   42    HA   ASP   6           HA       ASP   6   7.341  -1.311  -4.076
   43    HB2  ASP   6           HB2      ASP   6   9.651  -0.448  -4.439
   44    HB3  ASP   6           HB3      ASP   6   8.810  -0.840  -5.934
   45    H    CYS   7           H        CYS   7   7.686  -1.170  -1.972
   46    HA   CYS   7           HA       CYS   7   7.117   1.365  -0.676
   47    HB2  CYS   7           HB2      CYS   7   7.209  -0.128   1.410
   48    HB3  CYS   7           HB3      CYS   7   5.883  -0.361   0.287
   49    H    LYS   8           H        LYS   8   8.541   2.581   0.397
   50    HA   LYS   8           HA       LYS   8  11.201   1.576   0.972
   51    HB2  LYS   8           HB2      LYS   8  10.800   3.996   0.368
   52    HB3  LYS   8           HB3      LYS   8   9.922   4.167   1.873
   53    HG2  LYS   8           HG2      LYS   8  11.810   3.864   3.165
   54    HG3  LYS   8           HG3      LYS   8  12.736   3.163   1.839
   55    HD2  LYS   8           HD2      LYS   8  13.547   5.385   2.225
   56    HD3  LYS   8           HD3      LYS   8  12.666   5.377   0.701
   57    HE2  LYS   8           HE2      LYS   8  10.686   6.256   1.933
   58    HE3  LYS   8           HE3      LYS   8  11.702   6.406   3.363
   59    HZ1  LYS   8           HZ1      LYS   8  11.556   8.498   2.192
   60    HZ2  LYS   8           HZ2      LYS   8  12.130   7.787   0.772
   61    HZ3  LYS   8           HZ3      LYS   8  13.139   7.911   2.122
   62    H    HIS   9           H        HIS   9   8.112   1.828   2.336
   63    HA   HIS   9           HA       HIS   9   8.639   0.169   4.533
   64    HB2  HIS   9           HB2      HIS   9   7.991   1.878   6.337
   65    HB3  HIS   9           HB3      HIS   9   9.641   1.943   5.735
   66    HD1  HIS   9           HD1      HIS   9  10.272   3.976   4.255
   67    HD2  HIS   9           HD2      HIS   9   6.458   4.154   5.883
   68    HE1  HIS   9           HE1      HIS   9   9.461   6.298   3.785
   69    HE2  HIS   9           HE2      HIS   9   7.259   6.463   5.024
   70    H    SER  10           H        SER  10   6.600  -0.008   5.952
   71    HA   SER  10           HA       SER  10   4.479  -0.510   4.183
   72    HB2  SER  10           HB2      SER  10   3.190  -0.850   6.395
   73    HB3  SER  10           HB3      SER  10   4.586  -1.879   6.077
   74    HG   SER  10           HG       SER  10   4.236  -0.509   8.201
   75    H    GLY  11           H        GLY  11   4.986   2.110   6.493
   76    HA2  GLY  11           HA2      GLY  11   2.441   3.220   6.501
   77    HA3  GLY  11           HA3      GLY  11   3.918   4.109   6.819
   78    H    GLN  12           H        GLN  12   4.943   3.560   4.065
   79    HA   GLN  12           HA       GLN  12   3.509   5.793   2.865
   80    HB2  GLN  12           HB2      GLN  12   5.404   5.907   1.282
   81    HB3  GLN  12           HB3      GLN  12   5.893   6.048   2.961
   82    HG2  GLN  12           HG2      GLN  12   7.477   4.600   2.319
   83    HG3  GLN  12           HG3      GLN  12   6.213   3.416   2.637
   84   HE21  GLN  12          HE21      GLN  12   8.024   5.100   0.213
   85   HE22  GLN  12          HE22      GLN  12   7.561   4.097  -1.121
   86    H    CYS  13           H        CYS  13   3.004   2.624   2.837
   87    HA   CYS  13           HA       CYS  13   2.520   2.303  -0.003
   88    HB2  CYS  13           HB2      CYS  13   2.017   0.563   2.403
   89    HB3  CYS  13           HB3      CYS  13   1.367   0.157   0.822
   90    H    LEU  14           H        LEU  14   0.912   3.429   2.784
   91    HA   LEU  14           HA       LEU  14  -1.769   3.016   2.163
   92    HB2  LEU  14           HB2      LEU  14  -0.315   5.153   3.687
   93    HB3  LEU  14           HB3      LEU  14  -2.037   5.258   3.439
   94    HG   LEU  14           HG       LEU  14  -2.366   3.149   4.642
   95   HD11  LEU  14          HD11      LEU  14  -0.140   2.209   4.027
   96   HD12  LEU  14          HD12      LEU  14  -0.592   1.999   5.718
   97   HD13  LEU  14          HD13      LEU  14   0.575   3.243   5.263
   98   HD21  LEU  14          HD21      LEU  14  -0.688   5.163   6.123
   99   HD22  LEU  14          HD22      LEU  14  -1.750   3.963   6.862
  100   HD23  LEU  14          HD23      LEU  14  -2.432   5.251   5.866
  101    H    LYS  15           H        LYS  15   0.370   5.701   1.314
  102    HA   LYS  15           HA       LYS  15  -1.444   7.381   0.138
  103    HB2  LYS  15           HB2      LYS  15   1.036   7.700   0.762
  104    HB3  LYS  15           HB3      LYS  15   1.376   7.109  -0.852
  105    HG2  LYS  15           HG2      LYS  15  -0.453   9.410  -0.357
  106    HG3  LYS  15           HG3      LYS  15   1.290   9.620  -0.511
  107    HD2  LYS  15           HD2      LYS  15   1.160   8.512  -2.738
  108    HD3  LYS  15           HD3      LYS  15  -0.598   8.489  -2.576
  109    HE2  LYS  15           HE2      LYS  15   0.044  10.380  -3.918
  110    HE3  LYS  15           HE3      LYS  15  -0.563  10.953  -2.370
  111    HZ1  LYS  15           HZ1      LYS  15   1.411  12.152  -2.983
  112    HZ2  LYS  15           HZ2      LYS  15   2.287  10.718  -3.151
  113    HZ3  LYS  15           HZ3      LYS  15   1.743  11.199  -1.626
  114    HA   PRO  16           HA       PRO  16  -0.730   5.597  -4.215
  115    HB2  PRO  16           HB2      PRO  16   0.635   3.282  -4.583
  116    HB3  PRO  16           HB3      PRO  16   1.402   4.872  -4.598
  117    HG2  PRO  16           HG2      PRO  16   1.344   2.812  -2.455
  118    HG3  PRO  16           HG3      PRO  16   2.642   3.923  -2.913
  119    HD2  PRO  16           HD2      PRO  16   0.988   4.302  -0.750
  120    HD3  PRO  16           HD3      PRO  16   1.850   5.593  -1.598
  121    H    CYS  17           H        CYS  17  -1.158   3.162  -1.677
  122    HA   CYS  17           HA       CYS  17  -2.743   1.437  -3.259
  123    HB2  CYS  17           HB2      CYS  17  -2.087   1.716  -0.364
  124    HB3  CYS  17           HB3      CYS  17  -3.402   0.676  -0.850
  125    H    LYS  18           H        LYS  18  -3.397   4.237  -1.270
  126    HA   LYS  18           HA       LYS  18  -6.234   3.898  -1.252
  127    HB2  LYS  18           HB2      LYS  18  -4.421   6.239  -0.721
  128    HB3  LYS  18           HB3      LYS  18  -6.175   6.393  -0.674
  129    HG2  LYS  18           HG2      LYS  18  -6.281   4.705   1.082
  130    HG3  LYS  18           HG3      LYS  18  -4.528   4.522   1.019
  131    HD2  LYS  18           HD2      LYS  18  -4.317   6.922   1.628
  132    HD3  LYS  18           HD3      LYS  18  -6.070   6.986   1.822
  133    HE2  LYS  18           HE2      LYS  18  -5.937   5.255   3.548
  134    HE3  LYS  18           HE3      LYS  18  -4.187   5.195   3.354
  135    HZ1  LYS  18           HZ1      LYS  18  -5.776   7.511   4.308
  136    HZ2  LYS  18           HZ2      LYS  18  -4.108   7.542   4.027
  137    HZ3  LYS  18           HZ3      LYS  18  -4.745   6.544   5.236
  138    H    LYS  19           H        LYS  19  -3.907   5.305  -3.410
  139    HA   LYS  19           HA       LYS  19  -5.799   6.504  -5.183
  140    HB2  LYS  19           HB2      LYS  19  -3.461   7.209  -5.188
  141    HB3  LYS  19           HB3      LYS  19  -2.950   5.588  -5.629
  142    HG2  LYS  19           HG2      LYS  19  -4.139   5.815  -7.770
  143    HG3  LYS  19           HG3      LYS  19  -4.589   7.460  -7.324
  144    HD2  LYS  19           HD2      LYS  19  -2.661   7.491  -8.796
  145    HD3  LYS  19           HD3      LYS  19  -2.209   8.060  -7.191
  146    HE2  LYS  19           HE2      LYS  19  -0.503   6.576  -8.054
  147    HE3  LYS  19           HE3      LYS  19  -1.306   5.828  -6.676
  148    HZ1  LYS  19           HZ1      LYS  19  -1.017   4.221  -8.411
  149    HZ2  LYS  19           HZ2      LYS  19  -1.783   5.216  -9.540
  150    HZ3  LYS  19           HZ3      LYS  19  -2.666   4.555  -8.262
  151    H    ALA  20           H        ALA  20  -4.212   3.389  -4.897
  152    HA   ALA  20           HA       ALA  20  -5.109   2.260  -7.319
  153    HB1  ALA  20           HB1      ALA  20  -3.243   1.382  -5.897
  154    HB2  ALA  20           HB2      ALA  20  -4.400   0.159  -6.426
  155    HB3  ALA  20           HB3      ALA  20  -4.466   0.778  -4.776
  156    H    GLY  21           H        GLY  21  -6.426   2.181  -4.029
  157    HA2  GLY  21           HA2      GLY  21  -8.974   2.452  -4.186
  158    HA3  GLY  21           HA3      GLY  21  -8.878   0.969  -5.120
  159    H    MET  22           H        MET  22  -6.636   1.261  -2.549
  160    HA   MET  22           HA       MET  22  -8.267  -0.609  -0.993
  161    HB2  MET  22           HB2      MET  22  -5.276  -0.265  -1.119
  162    HB3  MET  22           HB3      MET  22  -6.078  -1.251   0.097
  163    HG2  MET  22           HG2      MET  22  -5.411  -2.758  -1.550
  164    HG3  MET  22           HG3      MET  22  -7.134  -2.508  -1.839
  165    HE1  MET  22           HE1      MET  22  -5.246  -3.844  -4.009
  166    HE2  MET  22           HE2      MET  22  -5.790  -3.014  -5.466
  167    HE3  MET  22           HE3      MET  22  -6.964  -3.530  -4.255
  168    H    ARG  23           H        ARG  23  -7.087  -0.504   1.469
  169    HA   ARG  23           HA       ARG  23  -7.866   2.227   2.264
  170    HB2  ARG  23           HB2      ARG  23  -8.105  -0.409   3.709
  171    HB3  ARG  23           HB3      ARG  23  -8.400   1.134   4.492
  172    HG2  ARG  23           HG2      ARG  23 -10.075   1.553   2.608
  173    HG3  ARG  23           HG3      ARG  23  -9.927  -0.169   2.282
  174    HD2  ARG  23           HD2      ARG  23 -10.606   0.886   5.007
  175    HD3  ARG  23           HD3      ARG  23 -11.838   0.551   3.791
  176    HE   ARG  23           HE       ARG  23 -10.405  -1.748   3.889
  177   HH11  ARG  23          HH11      ARG  23 -12.011   0.200   6.313
  178   HH12  ARG  23          HH12      ARG  23 -12.384  -1.150   7.332
  179   HH21  ARG  23          HH21      ARG  23 -10.874  -3.512   5.226
  180   HH22  ARG  23          HH22      ARG  23 -11.723  -3.272   6.716
  181    H    PHE  24           H        PHE  24  -5.776  -0.415   3.368
  182    HA   PHE  24           HA       PHE  24  -4.095   1.564   4.752
  183    HB2  PHE  24           HB2      PHE  24  -3.788  -1.368   5.218
  184    HB3  PHE  24           HB3      PHE  24  -3.667  -0.033   6.363
  185    HD1  PHE  24           HD2      PHE  24  -5.719   0.934   7.352
  186    HD2  PHE  24           HD1      PHE  24  -5.823  -2.408   4.744
  187    HE1  PHE  24           HE2      PHE  24  -8.029   0.453   8.061
  188    HE2  PHE  24           HE1      PHE  24  -8.125  -2.896   5.434
  189    HZ   PHE  24           HZ       PHE  24  -9.232  -1.468   7.108
  190    H    GLY  25           H        GLY  25  -1.881  -0.355   4.991
  191    HA2  GLY  25           HA2      GLY  25  -1.048  -1.190   2.414
  192    HA3  GLY  25           HA3      GLY  25  -0.346   0.376   2.797
  193    H    LYS  26           H        LYS  26   0.638  -2.555   2.544
  194    HA   LYS  26           HA       LYS  26   2.368  -2.395   4.916
  195    HB2  LYS  26           HB2      LYS  26   0.518  -4.137   5.133
  196    HB3  LYS  26           HB3      LYS  26   1.296  -4.979   3.804
  197    HG2  LYS  26           HG2      LYS  26   3.266  -5.355   5.093
  198    HG3  LYS  26           HG3      LYS  26   2.665  -4.328   6.397
  199    HD2  LYS  26           HD2      LYS  26   2.394  -6.702   6.932
  200    HD3  LYS  26           HD3      LYS  26   0.833  -5.891   6.797
  201    HE2  LYS  26           HE2      LYS  26   0.652  -6.746   4.472
  202    HE3  LYS  26           HE3      LYS  26   2.146  -7.646   4.726
  203    HZ1  LYS  26           HZ1      LYS  26   1.050  -8.830   6.546
  204    HZ2  LYS  26           HZ2      LYS  26   0.244  -9.057   5.077
  205    HZ3  LYS  26           HZ3      LYS  26  -0.386  -7.996   6.230
  206    H    CYS  27           H        CYS  27   4.452  -3.307   4.592
  207    HA   CYS  27           HA       CYS  27   5.228  -3.295   1.759
  208    HB2  CYS  27           HB2      CYS  27   6.288  -1.584   3.215
  209    HB3  CYS  27           HB3      CYS  27   6.957  -2.872   4.209
  210    H    ILE  28           H        ILE  28   5.488  -5.258   0.920
  211    HA   ILE  28           HA       ILE  28   6.186  -7.417   2.784
  212    HB   ILE  28           HB       ILE  28   4.597  -7.465   0.216
  213   HG12  ILE  28          HG12      ILE  28   3.969  -7.820   3.132
  214   HG13  ILE  28          HG13      ILE  28   3.267  -6.684   1.986
  215   HG21  ILE  28          HG21      ILE  28   4.472  -9.720   0.178
  216   HG22  ILE  28          HG22      ILE  28   4.848  -9.904   1.895
  217   HG23  ILE  28          HG23      ILE  28   6.136  -9.539   0.743
  218   HD11  ILE  28          HD11      ILE  28   2.148  -8.528   0.850
  219   HD12  ILE  28          HD12      ILE  28   1.701  -8.440   2.553
  220   HD13  ILE  28          HD13      ILE  28   2.848  -9.662   2.003
  221    H    ASN  29           H        ASN  29   6.490  -8.395  -0.466
  222    HA   ASN  29           HA       ASN  29   9.370  -8.481  -0.076
  223    HB2  ASN  29           HB2      ASN  29   9.315  -9.998  -2.108
  224    HB3  ASN  29           HB3      ASN  29   8.499 -10.596  -0.673
  225   HD21  ASN  29          HD21      ASN  29   7.175  -8.185  -2.869
  226   HD22  ASN  29          HD22      ASN  29   5.912  -9.186  -3.489
  227    H    GLY  30           H        GLY  30   8.542  -5.970  -0.496
  228    HA2  GLY  30           HA2      GLY  30   9.492  -4.230  -1.779
  229    HA3  GLY  30           HA3      GLY  30   9.680  -5.354  -3.118
  230    H    LYS  31           H        LYS  31   6.663  -5.843  -1.863
  231    HA   LYS  31           HA       LYS  31   5.457  -3.982  -3.798
  232    HB2  LYS  31           HB2      LYS  31   3.636  -5.582  -4.045
  233    HB3  LYS  31           HB3      LYS  31   5.170  -6.375  -4.381
  234    HG2  LYS  31           HG2      LYS  31   5.099  -7.639  -2.466
  235    HG3  LYS  31           HG3      LYS  31   4.052  -6.497  -1.626
  236    HD2  LYS  31           HD2      LYS  31   2.817  -8.483  -2.129
  237    HD3  LYS  31           HD3      LYS  31   2.196  -7.163  -3.117
  238    HE2  LYS  31           HE2      LYS  31   3.606  -7.998  -4.992
  239    HE3  LYS  31           HE3      LYS  31   4.048  -9.377  -3.988
  240    HZ1  LYS  31           HZ1      LYS  31   1.315  -8.683  -4.925
  241    HZ2  LYS  31           HZ2      LYS  31   1.674  -9.953  -3.868
  242    HZ3  LYS  31           HZ3      LYS  31   2.264  -9.981  -5.451
  243    H    CYS  32           H        CYS  32   3.579  -2.907  -3.173
  244    HA   CYS  32           HA       CYS  32   3.108  -2.773  -0.310
  245    HB2  CYS  32           HB2      CYS  32   2.183  -1.110  -2.650
  246    HB3  CYS  32           HB3      CYS  32   1.473  -0.917  -1.051
  247    H    ASP  33           H        ASP  33   2.158  -4.817   0.038
  248    HA   ASP  33           HA       ASP  33  -0.378  -5.434  -1.176
  249    HB2  ASP  33           HB2      ASP  33   1.075  -7.217  -0.342
  250    HB3  ASP  33           HB3      ASP  33   0.971  -6.553   1.286
  251    H    CYS  34           H        CYS  34  -2.244  -4.518  -0.641
  252    HA   CYS  34           HA       CYS  34  -2.516  -3.308   2.016
  253    HB2  CYS  34           HB2      CYS  34  -3.328  -1.954  -0.560
  254    HB3  CYS  34           HB3      CYS  34  -3.396  -1.274   1.062
  255    H    THR  35           H        THR  35  -4.576  -3.357   2.866
  256    HA   THR  35           HA       THR  35  -6.337  -5.282   1.597
  257    HB   THR  35           HB       THR  35  -6.526  -3.949   4.309
  258    HG1  THR  35           HG1      THR  35  -5.006  -5.990   3.369
  259   HG21  THR  35          HG21      THR  35  -8.690  -4.792   3.371
  260   HG22  THR  35          HG22      THR  35  -8.182  -5.592   4.862
  261   HG23  THR  35          HG23      THR  35  -7.965  -6.402   3.311
  262    HA   PRO  36           HA       PRO  36  -8.790  -1.997   0.019
  263    HB2  PRO  36           HB2      PRO  36 -10.661  -3.431  -1.211
  264    HB3  PRO  36           HB3      PRO  36  -8.976  -3.498  -1.737
  265    HG2  PRO  36           HG2      PRO  36 -10.499  -5.423  -0.022
  266    HG3  PRO  36           HG3      PRO  36  -9.396  -5.762  -1.366
  267    HD2  PRO  36           HD2      PRO  36  -8.679  -5.857   1.291
  268    HD3  PRO  36           HD3      PRO  36  -7.542  -5.576  -0.040
  269    H    LYS  37           H        LYS  37 -11.498  -2.090  -0.326
  270    HA   LYS  37           HA       LYS  37 -12.416  -1.297   2.256
  271    HB2  LYS  37           HB2      LYS  37 -13.854  -1.599  -0.381
  272    HB3  LYS  37           HB3      LYS  37 -14.637  -1.026   1.078
  273    HG2  LYS  37           HG2      LYS  37 -14.099   0.866  -0.245
  274    HG3  LYS  37           HG3      LYS  37 -12.996   0.856   1.129
  275    HD2  LYS  37           HD2      LYS  37 -11.181   0.185  -0.189
  276    HD3  LYS  37           HD3      LYS  37 -12.224  -0.359  -1.505
  277    HE2  LYS  37           HE2      LYS  37 -11.061   1.745  -2.034
  278    HE3  LYS  37           HE3      LYS  37 -12.812   1.929  -2.031
  279    HZ1  LYS  37           HZ1      LYS  37 -12.686   2.930   0.144
  280    HZ2  LYS  37           HZ2      LYS  37 -11.683   3.767  -0.924
  281    HZ3  LYS  37           HZ3      LYS  37 -11.013   2.703   0.202
  Start of MODEL   17
    1    H1   VAL   1           H1       VAL   1  -5.277  -9.319  -3.525
    2    H2   VAL   1           H2       VAL   1  -5.221  -8.906  -5.161
    3    H3   VAL   1           H3       VAL   1  -6.642  -8.664  -4.279
    4    HA   VAL   1           HA       VAL   1  -5.482  -6.593  -4.651
    5    HB   VAL   1           HB       VAL   1  -5.204  -5.878  -2.252
    6   HG11  VAL   1          HG11      VAL   1  -7.523  -5.914  -1.800
    7   HG12  VAL   1          HG12      VAL   1  -7.756  -7.390  -2.735
    8   HG13  VAL   1          HG13      VAL   1  -7.361  -5.880  -3.554
    9   HG21  VAL   1          HG21      VAL   1  -4.426  -7.996  -1.329
   10   HG22  VAL   1          HG22      VAL   1  -5.975  -8.745  -1.716
   11   HG23  VAL   1          HG23      VAL   1  -5.895  -7.461  -0.509
   12    H    GLY   2           H        GLY   2  -3.691  -5.246  -3.463
   13    HA2  GLY   2           HA2      GLY   2  -1.385  -5.171  -2.833
   14    HA3  GLY   2           HA3      GLY   2  -1.188  -6.781  -3.511
   15    H    ILE   3           H        ILE   3  -0.555  -3.588  -4.023
   16    HA   ILE   3           HA       ILE   3  -1.120  -3.612  -6.882
   17    HB   ILE   3           HB       ILE   3  -0.717  -1.269  -6.858
   18   HG12  ILE   3          HG12      ILE   3   0.335  -1.635  -4.048
   19   HG13  ILE   3          HG13      ILE   3   1.325  -1.328  -5.465
   20   HG21  ILE   3          HG21      ILE   3  -2.245  -0.535  -5.003
   21   HG22  ILE   3          HG22      ILE   3  -2.191  -2.185  -4.394
   22   HG23  ILE   3          HG23      ILE   3  -2.864  -1.857  -5.989
   23   HD11  ILE   3          HD11      ILE   3  -0.613   0.512  -4.128
   24   HD12  ILE   3          HD12      ILE   3   0.054   0.831  -5.724
   25   HD13  ILE   3          HD13      ILE   3   1.123   0.717  -4.325
   26    H    ASN   4           H        ASN   4   0.639  -2.263  -8.109
   27    HA   ASN   4           HA       ASN   4   3.130  -3.798  -7.804
   28    HB2  ASN   4           HB2      ASN   4   1.966  -4.124  -9.941
   29    HB3  ASN   4           HB3      ASN   4   1.982  -2.389 -10.228
   30   HD21  ASN   4          HD21      ASN   4   3.099  -2.592 -12.125
   31   HD22  ASN   4          HD22      ASN   4   4.774  -3.020 -12.190
   32    H    VAL   5           H        VAL   5   4.109  -2.478  -6.295
   33    HA   VAL   5           HA       VAL   5   5.014   0.126  -7.240
   34    HB   VAL   5           HB       VAL   5   2.805   0.177  -5.772
   35   HG11  VAL   5          HG11      VAL   5   3.283   0.478  -3.402
   36   HG12  VAL   5          HG12      VAL   5   4.949  -0.013  -3.679
   37   HG13  VAL   5          HG13      VAL   5   3.634  -1.156  -3.956
   38   HG21  VAL   5          HG21      VAL   5   3.412   2.391  -4.949
   39   HG22  VAL   5          HG22      VAL   5   3.978   2.157  -6.603
   40   HG23  VAL   5          HG23      VAL   5   5.113   2.053  -5.258
   41    H    ASP   6           H        ASP   6   6.447   1.048  -5.260
   42    HA   ASP   6           HA       ASP   6   8.008  -1.169  -4.138
   43    HB2  ASP   6           HB2      ASP   6   9.248   1.291  -5.371
   44    HB3  ASP   6           HB3      ASP   6  10.093  -0.066  -4.647
   45    H    CYS   7           H        CYS   7   7.678  -0.926  -2.044
   46    HA   CYS   7           HA       CYS   7   7.482   1.749  -0.900
   47    HB2  CYS   7           HB2      CYS   7   6.997   0.444   1.242
   48    HB3  CYS   7           HB3      CYS   7   5.792   0.377  -0.025
   49    H    LYS   8           H        LYS   8   8.988   2.685   0.267
   50    HA   LYS   8           HA       LYS   8  11.440   1.299   0.924
   51    HB2  LYS   8           HB2      LYS   8  10.517   4.048   1.799
   52    HB3  LYS   8           HB3      LYS   8  12.164   3.431   1.823
   53    HG2  LYS   8           HG2      LYS   8  12.171   3.329  -0.612
   54    HG3  LYS   8           HG3      LYS   8  10.509   3.921  -0.642
   55    HD2  LYS   8           HD2      LYS   8  11.258   5.990   0.472
   56    HD3  LYS   8           HD3      LYS   8  12.919   5.399   0.407
   57    HE2  LYS   8           HE2      LYS   8  11.127   5.947  -1.955
   58    HE3  LYS   8           HE3      LYS   8  12.475   6.946  -1.421
   59    HZ1  LYS   8           HZ1      LYS   8  12.652   4.163  -2.441
   60    HZ2  LYS   8           HZ2      LYS   8  13.959   5.069  -1.867
   61    HZ3  LYS   8           HZ3      LYS   8  13.137   5.562  -3.256
   62    H    HIS   9           H        HIS   9   8.370   1.913   2.263
   63    HA   HIS   9           HA       HIS   9   8.786   0.217   4.473
   64    HB2  HIS   9           HB2      HIS   9   8.254   1.971   6.253
   65    HB3  HIS   9           HB3      HIS   9   9.903   1.936   5.639
   66    HD1  HIS   9           HD1      HIS   9  10.744   3.992   4.425
   67    HD2  HIS   9           HD2      HIS   9   6.738   4.242   5.489
   68    HE1  HIS   9           HE1      HIS   9  10.058   6.342   3.913
   69    HE2  HIS   9           HE2      HIS   9   7.715   6.543   4.831
   70    H    SER  10           H        SER  10   6.808   0.246   5.955
   71    HA   SER  10           HA       SER  10   4.552  -0.121   4.298
   72    HB2  SER  10           HB2      SER  10   3.397  -0.403   6.589
   73    HB3  SER  10           HB3      SER  10   4.695  -1.522   6.172
   74    HG   SER  10           HG       SER  10   5.968  -0.634   7.643
   75    H    GLY  11           H        GLY  11   5.448   2.455   6.542
   76    HA2  GLY  11           HA2      GLY  11   3.003   3.725   6.828
   77    HA3  GLY  11           HA3      GLY  11   4.559   4.520   6.957
   78    H    GLN  12           H        GLN  12   5.258   3.992   4.134
   79    HA   GLN  12           HA       GLN  12   3.771   6.261   3.063
   80    HB2  GLN  12           HB2      GLN  12   5.460   6.364   1.331
   81    HB3  GLN  12           HB3      GLN  12   6.229   6.259   2.910
   82    HG2  GLN  12           HG2      GLN  12   6.787   3.978   2.580
   83    HG3  GLN  12           HG3      GLN  12   5.783   3.880   1.137
   84   HE21  GLN  12          HE21      GLN  12   7.788   6.653   1.766
   85   HE22  GLN  12          HE22      GLN  12   8.932   6.350   0.508
   86    H    CYS  13           H        CYS  13   3.308   3.034   3.072
   87    HA   CYS  13           HA       CYS  13   2.771   2.543   0.296
   88    HB2  CYS  13           HB2      CYS  13   3.395   0.719   1.805
   89    HB3  CYS  13           HB3      CYS  13   1.966   1.018   2.784
   90    H    LEU  14           H        LEU  14   1.114   3.880   2.951
   91    HA   LEU  14           HA       LEU  14  -1.561   3.412   2.319
   92    HB2  LEU  14           HB2      LEU  14  -0.143   5.630   3.765
   93    HB3  LEU  14           HB3      LEU  14  -1.870   5.635   3.557
   94    HG   LEU  14           HG       LEU  14  -1.357   4.822   5.754
   95   HD11  LEU  14          HD11      LEU  14  -2.196   2.591   3.934
   96   HD12  LEU  14          HD12      LEU  14  -3.250   3.802   4.658
   97   HD13  LEU  14          HD13      LEU  14  -2.428   2.623   5.681
   98   HD21  LEU  14          HD21      LEU  14   0.951   4.027   5.078
   99   HD22  LEU  14          HD22      LEU  14   0.172   2.541   4.543
  100   HD23  LEU  14          HD23      LEU  14   0.076   3.028   6.235
  101    H    LYS  15           H        LYS  15   0.643   5.944   1.306
  102    HA   LYS  15           HA       LYS  15  -1.139   7.680   0.141
  103    HB2  LYS  15           HB2      LYS  15   0.996   8.491   0.563
  104    HB3  LYS  15           HB3      LYS  15   1.779   7.133  -0.230
  105    HG2  LYS  15           HG2      LYS  15   1.102   7.956  -2.373
  106    HG3  LYS  15           HG3      LYS  15   0.230   9.296  -1.628
  107    HD2  LYS  15           HD2      LYS  15   2.345  10.121  -0.680
  108    HD3  LYS  15           HD3      LYS  15   3.207   8.795  -1.460
  109    HE2  LYS  15           HE2      LYS  15   2.574   9.635  -3.646
  110    HE3  LYS  15           HE3      LYS  15   1.616  10.913  -2.902
  111    HZ1  LYS  15           HZ1      LYS  15   4.555  10.603  -2.615
  112    HZ2  LYS  15           HZ2      LYS  15   3.618  11.854  -1.975
  113    HZ3  LYS  15           HZ3      LYS  15   3.789  11.699  -3.649
  114    HA   PRO  16           HA       PRO  16  -0.620   5.835  -4.175
  115    HB2  PRO  16           HB2      PRO  16   0.838   3.654  -4.699
  116    HB3  PRO  16           HB3      PRO  16   1.591   5.241  -4.498
  117    HG2  PRO  16           HG2      PRO  16   1.342   2.996  -2.528
  118    HG3  PRO  16           HG3      PRO  16   2.760   3.998  -2.904
  119    HD2  PRO  16           HD2      PRO  16   1.142   4.452  -0.752
  120    HD3  PRO  16           HD3      PRO  16   2.038   5.737  -1.586
  121    H    CYS  17           H        CYS  17  -0.827   3.287  -1.729
  122    HA   CYS  17           HA       CYS  17  -2.233   1.506  -3.474
  123    HB2  CYS  17           HB2      CYS  17  -0.758   0.893  -1.452
  124    HB3  CYS  17           HB3      CYS  17  -2.178   1.260  -0.478
  125    H    LYS  18           H        LYS  18  -3.126   4.030  -1.273
  126    HA   LYS  18           HA       LYS  18  -5.852   3.215  -0.981
  127    HB2  LYS  18           HB2      LYS  18  -4.486   4.752   0.533
  128    HB3  LYS  18           HB3      LYS  18  -4.768   6.001  -0.669
  129    HG2  LYS  18           HG2      LYS  18  -7.158   5.819  -0.346
  130    HG3  LYS  18           HG3      LYS  18  -6.916   4.507   0.814
  131    HD2  LYS  18           HD2      LYS  18  -5.519   6.081   2.159
  132    HD3  LYS  18           HD3      LYS  18  -6.037   7.373   1.076
  133    HE2  LYS  18           HE2      LYS  18  -7.843   5.656   2.774
  134    HE3  LYS  18           HE3      LYS  18  -7.403   7.332   3.097
  135    HZ1  LYS  18           HZ1      LYS  18  -9.564   7.224   2.078
  136    HZ2  LYS  18           HZ2      LYS  18  -8.962   6.342   0.770
  137    HZ3  LYS  18           HZ3      LYS  18  -8.482   7.949   0.996
  138    H    LYS  19           H        LYS  19  -4.048   5.324  -3.131
  139    HA   LYS  19           HA       LYS  19  -6.314   6.348  -4.522
  140    HB2  LYS  19           HB2      LYS  19  -4.142   7.507  -4.518
  141    HB3  LYS  19           HB3      LYS  19  -3.418   6.163  -5.387
  142    HG2  LYS  19           HG2      LYS  19  -3.883   8.016  -6.882
  143    HG3  LYS  19           HG3      LYS  19  -4.866   6.613  -7.302
  144    HD2  LYS  19           HD2      LYS  19  -6.777   7.597  -6.138
  145    HD3  LYS  19           HD3      LYS  19  -5.794   8.995  -5.699
  146    HE2  LYS  19           HE2      LYS  19  -5.514   9.559  -8.045
  147    HE3  LYS  19           HE3      LYS  19  -6.421   8.125  -8.519
  148    HZ1  LYS  19           HZ1      LYS  19  -7.502  10.399  -6.943
  149    HZ2  LYS  19           HZ2      LYS  19  -8.367   9.030  -7.434
  150    HZ3  LYS  19           HZ3      LYS  19  -7.787  10.118  -8.587
  151    H    ALA  20           H        ALA  20  -4.393   3.473  -4.730
  152    HA   ALA  20           HA       ALA  20  -5.175   2.598  -7.297
  153    HB1  ALA  20           HB1      ALA  20  -3.309   1.606  -6.018
  154    HB2  ALA  20           HB2      ALA  20  -4.461   0.395  -6.580
  155    HB3  ALA  20           HB3      ALA  20  -4.477   0.909  -4.895
  156    H    GLY  21           H        GLY  21  -6.456   1.805  -4.065
  157    HA2  GLY  21           HA2      GLY  21  -9.090   2.104  -4.447
  158    HA3  GLY  21           HA3      GLY  21  -8.800   0.575  -5.258
  159    H    MET  22           H        MET  22  -6.637   0.802  -2.728
  160    HA   MET  22           HA       MET  22  -8.432  -0.821  -1.076
  161    HB2  MET  22           HB2      MET  22  -5.416  -0.714  -1.158
  162    HB3  MET  22           HB3      MET  22  -6.334  -1.639   0.023
  163    HG2  MET  22           HG2      MET  22  -5.724  -3.179  -1.634
  164    HG3  MET  22           HG3      MET  22  -7.424  -2.810  -1.936
  165    HE1  MET  22           HE1      MET  22  -6.221  -3.304  -5.587
  166    HE2  MET  22           HE2      MET  22  -7.450  -3.688  -4.382
  167    HE3  MET  22           HE3      MET  22  -5.793  -4.254  -4.165
  168    H    ARG  23           H        ARG  23  -7.400  -0.684   1.406
  169    HA   ARG  23           HA       ARG  23  -8.036   2.122   1.997
  170    HB2  ARG  23           HB2      ARG  23  -8.296  -0.374   3.674
  171    HB3  ARG  23           HB3      ARG  23  -8.603   1.240   4.294
  172    HG2  ARG  23           HG2      ARG  23 -10.256   1.450   2.338
  173    HG3  ARG  23           HG3      ARG  23 -10.111  -0.303   2.238
  174    HD2  ARG  23           HD2      ARG  23 -10.796   1.078   4.804
  175    HD3  ARG  23           HD3      ARG  23 -12.029   0.637   3.624
  176    HE   ARG  23           HE       ARG  23 -10.870  -1.697   3.906
  177   HH11  ARG  23          HH11      ARG  23 -11.608   0.663   6.383
  178   HH12  ARG  23          HH12      ARG  23 -11.829  -0.524   7.628
  179   HH21  ARG  23          HH21      ARG  23 -11.160  -3.257   5.528
  180   HH22  ARG  23          HH22      ARG  23 -11.571  -2.767   7.143
  181    H    PHE  24           H        PHE  24  -5.967  -0.465   3.241
  182    HA   PHE  24           HA       PHE  24  -4.218   1.594   4.410
  183    HB2  PHE  24           HB2      PHE  24  -3.987  -1.297   5.132
  184    HB3  PHE  24           HB3      PHE  24  -3.748   0.133   6.140
  185    HD1  PHE  24           HD2      PHE  24  -5.739   1.340   7.040
  186    HD2  PHE  24           HD1      PHE  24  -6.038  -2.320   4.929
  187    HE1  PHE  24           HE2      PHE  24  -8.035   1.050   7.875
  188    HE2  PHE  24           HE1      PHE  24  -8.333  -2.623   5.744
  189    HZ   PHE  24           HZ       PHE  24  -9.335  -0.937   7.235
  190    H    GLY  25           H        GLY  25  -1.984  -0.167   4.767
  191    HA2  GLY  25           HA2      GLY  25  -1.250  -1.439   2.356
  192    HA3  GLY  25           HA3      GLY  25  -0.617   0.206   2.369
  193    H    LYS  26           H        LYS  26   0.517  -2.672   2.659
  194    HA   LYS  26           HA       LYS  26   2.325  -1.927   4.857
  195    HB2  LYS  26           HB2      LYS  26   1.238  -4.658   4.176
  196    HB3  LYS  26           HB3      LYS  26   2.609  -4.402   5.243
  197    HG2  LYS  26           HG2      LYS  26   1.221  -3.118   6.758
  198    HG3  LYS  26           HG3      LYS  26  -0.164  -3.325   5.684
  199    HD2  LYS  26           HD2      LYS  26  -0.049  -5.749   6.008
  200    HD3  LYS  26           HD3      LYS  26   1.336  -5.539   7.083
  201    HE2  LYS  26           HE2      LYS  26  -0.707  -5.839   8.368
  202    HE3  LYS  26           HE3      LYS  26  -0.053  -4.221   8.608
  203    HZ1  LYS  26           HZ1      LYS  26  -2.290  -4.923   6.789
  204    HZ2  LYS  26           HZ2      LYS  26  -1.670  -3.370   7.033
  205    HZ3  LYS  26           HZ3      LYS  26  -2.443  -4.178   8.298
  206    H    CYS  27           H        CYS  27   4.441  -3.135   4.664
  207    HA   CYS  27           HA       CYS  27   5.241  -3.106   1.828
  208    HB2  CYS  27           HB2      CYS  27   6.217  -1.365   3.454
  209    HB3  CYS  27           HB3      CYS  27   7.120  -2.708   4.150
  210    H    ILE  28           H        ILE  28   5.195  -5.167   1.191
  211    HA   ILE  28           HA       ILE  28   5.981  -7.239   3.091
  212    HB   ILE  28           HB       ILE  28   4.395  -7.342   0.521
  213   HG12  ILE  28          HG12      ILE  28   2.676  -8.318   2.100
  214   HG13  ILE  28          HG13      ILE  28   3.749  -7.872   3.418
  215   HG21  ILE  28          HG21      ILE  28   4.092  -9.700   0.809
  216   HG22  ILE  28          HG22      ILE  28   5.128  -9.704   2.239
  217   HG23  ILE  28          HG23      ILE  28   5.815  -9.353   0.651
  218   HD11  ILE  28          HD11      ILE  28   2.559  -5.951   1.443
  219   HD12  ILE  28          HD12      ILE  28   3.535  -5.546   2.854
  220   HD13  ILE  28          HD13      ILE  28   1.939  -6.267   3.065
  221    H    ASN  29           H        ASN  29   6.235  -7.785  -0.379
  222    HA   ASN  29           HA       ASN  29   9.108  -8.205  -0.047
  223    HB2  ASN  29           HB2      ASN  29   7.141  -9.000  -2.175
  224    HB3  ASN  29           HB3      ASN  29   8.878  -9.062  -2.476
  225   HD21  ASN  29          HD21      ASN  29   8.070  -9.448   0.738
  226   HD22  ASN  29          HD22      ASN  29   8.186 -11.182   0.838
  227    H    GLY  30           H        GLY  30   8.563  -5.705   0.270
  228    HA2  GLY  30           HA2      GLY  30   9.095  -3.576  -0.476
  229    HA3  GLY  30           HA3      GLY  30   9.764  -4.307  -1.930
  230    H    LYS  31           H        LYS  31   6.684  -5.428  -1.429
  231    HA   LYS  31           HA       LYS  31   5.576  -3.493  -3.336
  232    HB2  LYS  31           HB2      LYS  31   4.108  -5.336  -4.096
  233    HB3  LYS  31           HB3      LYS  31   5.813  -5.688  -4.318
  234    HG2  LYS  31           HG2      LYS  31   5.025  -7.689  -3.523
  235    HG3  LYS  31           HG3      LYS  31   5.598  -6.923  -2.045
  236    HD2  LYS  31           HD2      LYS  31   3.478  -7.887  -1.558
  237    HD3  LYS  31           HD3      LYS  31   3.238  -6.142  -1.653
  238    HE2  LYS  31           HE2      LYS  31   1.434  -7.285  -2.791
  239    HE3  LYS  31           HE3      LYS  31   2.414  -6.407  -3.960
  240    HZ1  LYS  31           HZ1      LYS  31   2.702  -9.307  -3.397
  241    HZ2  LYS  31           HZ2      LYS  31   3.457  -8.433  -4.632
  242    HZ3  LYS  31           HZ3      LYS  31   1.786  -8.675  -4.670
  243    H    CYS  32           H        CYS  32   3.236  -3.152  -3.175
  244    HA   CYS  32           HA       CYS  32   2.547  -2.803  -0.371
  245    HB2  CYS  32           HB2      CYS  32   1.850  -1.428  -2.903
  246    HB3  CYS  32           HB3      CYS  32   0.592  -1.484  -1.668
  247    H    ASP  33           H        ASP  33   1.843  -4.912   0.155
  248    HA   ASP  33           HA       ASP  33  -0.667  -5.795  -1.019
  249    HB2  ASP  33           HB2      ASP  33   1.005  -7.430  -0.130
  250    HB3  ASP  33           HB3      ASP  33   0.730  -6.763   1.479
  251    H    CYS  34           H        CYS  34  -2.621  -5.127  -0.310
  252    HA   CYS  34           HA       CYS  34  -2.737  -3.647   2.225
  253    HB2  CYS  34           HB2      CYS  34  -4.042  -2.640  -0.295
  254    HB3  CYS  34           HB3      CYS  34  -3.785  -1.779   1.217
  255    H    THR  35           H        THR  35  -4.918  -3.364   3.051
  256    HA   THR  35           HA       THR  35  -6.710  -5.500   2.163
  257    HB   THR  35           HB       THR  35  -6.958  -3.742   4.613
  258    HG1  THR  35           HG1      THR  35  -5.756  -6.284   4.208
  259   HG21  THR  35          HG21      THR  35  -9.047  -4.805   3.740
  260   HG22  THR  35          HG22      THR  35  -8.598  -5.311   5.372
  261   HG23  THR  35          HG23      THR  35  -8.284  -6.377   4.001
  262    HA   PRO  36           HA       PRO  36  -9.031  -2.327   0.121
  263    HB2  PRO  36           HB2      PRO  36 -10.880  -3.886  -1.008
  264    HB3  PRO  36           HB3      PRO  36  -9.188  -3.973  -1.505
  265    HG2  PRO  36           HG2      PRO  36 -10.723  -5.782   0.316
  266    HG3  PRO  36           HG3      PRO  36  -9.561  -6.198  -0.956
  267    HD2  PRO  36           HD2      PRO  36  -8.962  -6.064   1.735
  268    HD3  PRO  36           HD3      PRO  36  -7.773  -5.902   0.432
  269    H    LYS  37           H        LYS  37 -11.745  -2.479  -0.269
  270    HA   LYS  37           HA       LYS  37 -12.714  -1.521   2.231
  271    HB2  LYS  37           HB2      LYS  37 -14.951  -1.633   0.691
  272    HB3  LYS  37           HB3      LYS  37 -13.809  -0.303   0.698
  273    HG2  LYS  37           HG2      LYS  37 -14.268  -0.813  -1.565
  274    HG3  LYS  37           HG3      LYS  37 -12.642  -1.396  -1.231
  275    HD2  LYS  37           HD2      LYS  37 -13.755  -3.055  -2.533
  276    HD3  LYS  37           HD3      LYS  37 -13.626  -3.675  -0.886
  277    HE2  LYS  37           HE2      LYS  37 -15.941  -2.995  -0.458
  278    HE3  LYS  37           HE3      LYS  37 -16.065  -2.387  -2.109
  279    HZ1  LYS  37           HZ1      LYS  37 -17.033  -4.569  -1.948
  280    HZ2  LYS  37           HZ2      LYS  37 -15.606  -5.209  -1.308
  281    HZ3  LYS  37           HZ3      LYS  37 -15.640  -4.648  -2.902
  Start of MODEL   18
    1    H1   VAL   1           H1       VAL   1  -4.927  -9.521  -2.274
    2    H2   VAL   1           H2       VAL   1  -4.826  -9.751  -3.943
    3    H3   VAL   1           H3       VAL   1  -6.307  -9.348  -3.237
    4    HA   VAL   1           HA       VAL   1  -5.335  -7.456  -4.347
    5    HB   VAL   1           HB       VAL   1  -5.215  -5.893  -2.344
    6   HG11  VAL   1          HG11      VAL   1  -7.578  -6.041  -1.914
    7   HG12  VAL   1          HG12      VAL   1  -7.620  -7.698  -2.517
    8   HG13  VAL   1          HG13      VAL   1  -7.272  -6.367  -3.620
    9   HG21  VAL   1          HG21      VAL   1  -4.404  -7.426  -0.677
   10   HG22  VAL   1          HG22      VAL   1  -5.806  -8.471  -0.897
   11   HG23  VAL   1          HG23      VAL   1  -6.004  -6.861  -0.205
   12    H    GLY   2           H        GLY   2  -3.745  -5.550  -3.622
   13    HA2  GLY   2           HA2      GLY   2  -1.413  -5.268  -2.820
   14    HA3  GLY   2           HA3      GLY   2  -1.102  -6.853  -3.513
   15    H    ILE   3           H        ILE   3  -0.403  -3.794  -4.028
   16    HA   ILE   3           HA       ILE   3  -1.108  -3.746  -6.883
   17    HB   ILE   3           HB       ILE   3  -0.798  -1.381  -6.809
   18   HG12  ILE   3          HG12      ILE   3   0.250  -1.781  -3.997
   19   HG13  ILE   3          HG13      ILE   3   1.236  -1.397  -5.400
   20   HG21  ILE   3          HG21      ILE   3  -2.392  -0.749  -5.002
   21   HG22  ILE   3          HG22      ILE   3  -2.231  -2.373  -4.349
   22   HG23  ILE   3          HG23      ILE   3  -2.921  -2.134  -5.953
   23   HD11  ILE   3          HD11      ILE   3  -0.687   0.323  -3.927
   24   HD12  ILE   3          HD12      ILE   3  -0.242   0.695  -5.586
   25   HD13  ILE   3          HD13      ILE   3   0.996   0.633  -4.332
   26    H    ASN   4           H        ASN   4   0.593  -2.246  -8.051
   27    HA   ASN   4           HA       ASN   4   3.234  -3.475  -7.666
   28    HB2  ASN   4           HB2      ASN   4   2.314  -3.900  -9.877
   29    HB3  ASN   4           HB3      ASN   4   2.002  -2.183 -10.112
   30   HD21  ASN   4          HD21      ASN   4   4.434  -4.660  -9.959
   31   HD22  ASN   4          HD22      ASN   4   5.701  -3.738 -10.688
   32    H    VAL   5           H        VAL   5   4.550  -2.212  -6.550
   33    HA   VAL   5           HA       VAL   5   4.896   0.565  -7.159
   34    HB   VAL   5           HB       VAL   5   2.735   0.262  -5.665
   35   HG11  VAL   5          HG11      VAL   5   3.240   0.401  -3.277
   36   HG12  VAL   5          HG12      VAL   5   4.932   0.074  -3.627
   37   HG13  VAL   5          HG13      VAL   5   3.704  -1.140  -3.987
   38   HG21  VAL   5          HG21      VAL   5   3.107   2.436  -4.649
   39   HG22  VAL   5          HG22      VAL   5   3.712   2.421  -6.306
   40   HG23  VAL   5          HG23      VAL   5   4.838   2.307  -4.955
   41    H    ASP   6           H        ASP   6   6.263   1.503  -5.141
   42    HA   ASP   6           HA       ASP   6   8.130  -0.586  -4.234
   43    HB2  ASP   6           HB2      ASP   6   8.916   2.198  -5.118
   44    HB3  ASP   6           HB3      ASP   6  10.000   0.955  -4.513
   45    H    CYS   7           H        CYS   7   7.868  -0.676  -2.103
   46    HA   CYS   7           HA       CYS   7   7.041   1.720  -0.679
   47    HB2  CYS   7           HB2      CYS   7   6.981   0.094   1.313
   48    HB3  CYS   7           HB3      CYS   7   5.753  -0.052   0.078
   49    H    LYS   8           H        LYS   8   8.428   3.004   0.210
   50    HA   LYS   8           HA       LYS   8  11.066   2.206   0.991
   51    HB2  LYS   8           HB2      LYS   8   9.473   4.630   1.870
   52    HB3  LYS   8           HB3      LYS   8  11.217   4.426   1.980
   53    HG2  LYS   8           HG2      LYS   8  11.437   4.481  -0.407
   54    HG3  LYS   8           HG3      LYS   8   9.684   4.485  -0.610
   55    HD2  LYS   8           HD2      LYS   8  10.470   6.721  -0.926
   56    HD3  LYS   8           HD3      LYS   8   9.621   6.655   0.620
   57    HE2  LYS   8           HE2      LYS   8  11.628   7.939   0.897
   58    HE3  LYS   8           HE3      LYS   8  11.814   6.410   1.753
   59    HZ1  LYS   8           HZ1      LYS   8  12.892   6.969  -0.958
   60    HZ2  LYS   8           HZ2      LYS   8  13.152   5.571  -0.041
   61    HZ3  LYS   8           HZ3      LYS   8  13.793   7.049   0.472
   62    H    HIS   9           H        HIS   9   7.888   2.223   2.308
   63    HA   HIS   9           HA       HIS   9   8.446   0.412   4.350
   64    HB2  HIS   9           HB2      HIS   9   7.943   1.876   6.349
   65    HB3  HIS   9           HB3      HIS   9   9.538   2.094   5.640
   66    HD1  HIS   9           HD1      HIS   9   9.928   4.328   4.310
   67    HD2  HIS   9           HD2      HIS   9   6.342   4.117   6.395
   68    HE1  HIS   9           HE1      HIS   9   9.030   6.659   4.341
   69    HE2  HIS   9           HE2      HIS   9   7.020   6.553   5.854
   70    H    SER  10           H        SER  10   6.474   0.090   5.790
   71    HA   SER  10           HA       SER  10   4.257  -0.096   4.069
   72    HB2  SER  10           HB2      SER  10   3.066  -0.769   6.249
   73    HB3  SER  10           HB3      SER  10   4.427  -1.753   5.711
   74    HG   SER  10           HG       SER  10   4.269   0.067   7.845
   75    H    GLY  11           H        GLY  11   5.059   2.207   6.608
   76    HA2  GLY  11           HA2      GLY  11   2.607   3.430   6.993
   77    HA3  GLY  11           HA3      GLY  11   4.154   4.245   7.143
   78    H    GLN  12           H        GLN  12   4.941   4.006   4.393
   79    HA   GLN  12           HA       GLN  12   3.280   6.172   3.378
   80    HB2  GLN  12           HB2      GLN  12   5.074   6.584   1.777
   81    HB3  GLN  12           HB3      GLN  12   5.695   6.527   3.415
   82    HG2  GLN  12           HG2      GLN  12   7.286   5.322   2.338
   83    HG3  GLN  12           HG3      GLN  12   6.190   4.031   2.819
   84   HE21  GLN  12          HE21      GLN  12   5.599   6.297   0.200
   85   HE22  GLN  12          HE22      GLN  12   5.693   5.128  -1.070
   86    H    CYS  13           H        CYS  13   3.156   2.946   3.189
   87    HA   CYS  13           HA       CYS  13   2.754   2.561   0.366
   88    HB2  CYS  13           HB2      CYS  13   3.510   0.681   1.681
   89    HB3  CYS  13           HB3      CYS  13   2.145   0.835   2.776
   90    H    LEU  14           H        LEU  14   0.928   3.572   3.049
   91    HA   LEU  14           HA       LEU  14  -1.690   2.985   2.326
   92    HB2  LEU  14           HB2      LEU  14  -0.371   5.134   3.920
   93    HB3  LEU  14           HB3      LEU  14  -2.066   5.282   3.555
   94    HG   LEU  14           HG       LEU  14  -2.519   3.169   4.717
   95   HD11  LEU  14          HD11      LEU  14   0.445   3.204   5.166
   96   HD12  LEU  14          HD12      LEU  14  -0.501   1.956   4.361
   97   HD13  LEU  14          HD13      LEU  14  -0.665   2.205   6.101
   98   HD21  LEU  14          HD21      LEU  14  -0.895   5.133   6.316
   99   HD22  LEU  14          HD22      LEU  14  -2.017   3.947   6.984
  100   HD23  LEU  14          HD23      LEU  14  -2.619   5.255   5.964
  101    H    LYS  15           H        LYS  15   0.400   5.651   1.379
  102    HA   LYS  15           HA       LYS  15  -1.514   7.297   0.244
  103    HB2  LYS  15           HB2      LYS  15   0.536   8.266   0.806
  104    HB3  LYS  15           HB3      LYS  15   1.458   7.045  -0.059
  105    HG2  LYS  15           HG2      LYS  15   0.614   7.935  -2.162
  106    HG3  LYS  15           HG3      LYS  15  -0.228   9.212  -1.284
  107    HD2  LYS  15           HD2      LYS  15   1.932   9.985  -0.387
  108    HD3  LYS  15           HD3      LYS  15   2.754   8.729  -1.315
  109    HE2  LYS  15           HE2      LYS  15   1.861   9.719  -3.387
  110    HE3  LYS  15           HE3      LYS  15   1.122  11.002  -2.433
  111    HZ1  LYS  15           HZ1      LYS  15   3.210  11.722  -3.374
  112    HZ2  LYS  15           HZ2      LYS  15   4.029  10.442  -2.634
  113    HZ3  LYS  15           HZ3      LYS  15   3.332  11.657  -1.688
  114    HA   PRO  16           HA       PRO  16  -0.488   5.736  -4.138
  115    HB2  PRO  16           HB2      PRO  16   0.964   3.508  -4.553
  116    HB3  PRO  16           HB3      PRO  16   1.726   5.086  -4.308
  117    HG2  PRO  16           HG2      PRO  16   1.268   2.874  -2.332
  118    HG3  PRO  16           HG3      PRO  16   2.746   3.819  -2.624
  119    HD2  PRO  16           HD2      PRO  16   1.066   4.397  -0.589
  120    HD3  PRO  16           HD3      PRO  16   1.953   5.661  -1.464
  121    H    CYS  17           H        CYS  17  -0.944   3.206  -1.735
  122    HA   CYS  17           HA       CYS  17  -2.391   1.517  -3.551
  123    HB2  CYS  17           HB2      CYS  17  -1.033   0.741  -1.529
  124    HB3  CYS  17           HB3      CYS  17  -2.397   1.274  -0.549
  125    H    LYS  18           H        LYS  18  -3.138   4.083  -1.349
  126    HA   LYS  18           HA       LYS  18  -5.919   3.631  -1.124
  127    HB2  LYS  18           HB2      LYS  18  -4.498   5.162   0.280
  128    HB3  LYS  18           HB3      LYS  18  -4.453   6.267  -1.086
  129    HG2  LYS  18           HG2      LYS  18  -6.780   6.671  -0.948
  130    HG3  LYS  18           HG3      LYS  18  -7.001   5.355   0.211
  131    HD2  LYS  18           HD2      LYS  18  -7.015   7.448   1.404
  132    HD3  LYS  18           HD3      LYS  18  -5.534   6.562   1.786
  133    HE2  LYS  18           HE2      LYS  18  -5.119   8.956   1.413
  134    HE3  LYS  18           HE3      LYS  18  -4.267   7.934   0.260
  135    HZ1  LYS  18           HZ1      LYS  18  -5.309   9.878  -0.773
  136    HZ2  LYS  18           HZ2      LYS  18  -6.832   9.324  -0.289
  137    HZ3  LYS  18           HZ3      LYS  18  -5.918   8.429  -1.391
  138    H    LYS  19           H        LYS  19  -3.884   5.368  -3.405
  139    HA   LYS  19           HA       LYS  19  -5.980   6.390  -5.026
  140    HB2  LYS  19           HB2      LYS  19  -3.573   7.177  -4.984
  141    HB3  LYS  19           HB3      LYS  19  -3.154   5.728  -5.879
  142    HG2  LYS  19           HG2      LYS  19  -3.316   7.541  -7.415
  143    HG3  LYS  19           HG3      LYS  19  -4.688   6.467  -7.687
  144    HD2  LYS  19           HD2      LYS  19  -5.440   8.759  -7.762
  145    HD3  LYS  19           HD3      LYS  19  -6.094   7.981  -6.321
  146    HE2  LYS  19           HE2      LYS  19  -5.321  10.208  -5.774
  147    HE3  LYS  19           HE3      LYS  19  -4.302   9.013  -4.979
  148    HZ1  LYS  19           HZ1      LYS  19  -3.637  10.508  -7.456
  149    HZ2  LYS  19           HZ2      LYS  19  -2.665   9.318  -6.754
  150    HZ3  LYS  19           HZ3      LYS  19  -2.964  10.759  -5.926
  151    H    ALA  20           H        ALA  20  -4.313   3.361  -4.793
  152    HA   ALA  20           HA       ALA  20  -5.273   2.292  -7.275
  153    HB1  ALA  20           HB1      ALA  20  -4.004   0.951  -4.887
  154    HB2  ALA  20           HB2      ALA  20  -3.196   1.474  -6.365
  155    HB3  ALA  20           HB3      ALA  20  -4.364   0.157  -6.422
  156    H    GLY  21           H        GLY  21  -6.648   2.810  -4.218
  157    HA2  GLY  21           HA2      GLY  21  -9.126   2.641  -4.400
  158    HA3  GLY  21           HA3      GLY  21  -8.861   0.998  -4.956
  159    H    MET  22           H        MET  22  -6.642   0.750  -2.869
  160    HA   MET  22           HA       MET  22  -8.478  -0.334  -0.914
  161    HB2  MET  22           HB2      MET  22  -5.489  -0.585  -1.212
  162    HB3  MET  22           HB3      MET  22  -6.394  -1.311   0.109
  163    HG2  MET  22           HG2      MET  22  -6.093  -3.011  -1.479
  164    HG3  MET  22           HG3      MET  22  -7.769  -2.489  -1.640
  165    HE1  MET  22           HE1      MET  22  -6.945  -3.401  -5.326
  166    HE2  MET  22           HE2      MET  22  -8.088  -3.582  -3.996
  167    HE3  MET  22           HE3      MET  22  -6.463  -4.253  -3.859
  168    H    ARG  23           H        ARG  23  -7.509  -0.246   1.487
  169    HA   ARG  23           HA       ARG  23  -7.630   2.623   2.060
  170    HB2  ARG  23           HB2      ARG  23  -8.111   0.197   3.787
  171    HB3  ARG  23           HB3      ARG  23  -8.108   1.836   4.421
  172    HG2  ARG  23           HG2      ARG  23  -9.888   2.347   2.689
  173    HG3  ARG  23           HG3      ARG  23  -9.999   0.602   2.457
  174    HD2  ARG  23           HD2      ARG  23 -10.290   1.905   5.149
  175    HD3  ARG  23           HD3      ARG  23 -11.657   1.631   4.070
  176    HE   ARG  23           HE       ARG  23 -10.533  -0.815   4.230
  177   HH11  ARG  23          HH11      ARG  23 -11.503   1.500   6.675
  178   HH12  ARG  23          HH12      ARG  23 -11.874   0.282   7.852
  179   HH21  ARG  23          HH21      ARG  23 -11.020  -2.401   5.771
  180   HH22  ARG  23          HH22      ARG  23 -11.613  -1.938   7.336
  181    H    PHE  24           H        PHE  24  -5.874  -0.174   3.381
  182    HA   PHE  24           HA       PHE  24  -3.631   1.642   3.996
  183    HB2  PHE  24           HB2      PHE  24  -3.600  -0.710   5.654
  184    HB3  PHE  24           HB3      PHE  24  -3.651   0.982   6.144
  185    HD1  PHE  24           HD1      PHE  24  -5.812  -1.723   4.867
  186    HD2  PHE  24           HD2      PHE  24  -5.523   1.740   7.294
  187    HE1  PHE  24           HE1      PHE  24  -8.107  -2.091   5.628
  188    HE2  PHE  24           HE2      PHE  24  -7.829   1.391   8.077
  189    HZ   PHE  24           HZ       PHE  24  -9.126  -0.531   7.248
  190    H    GLY  25           H        GLY  25  -1.527   0.577   4.075
  191    HA2  GLY  25           HA2      GLY  25  -1.401  -1.821   2.369
  192    HA3  GLY  25           HA3      GLY  25  -0.456  -0.394   1.962
  193    H    LYS  26           H        LYS  26   0.563  -3.012   2.479
  194    HA   LYS  26           HA       LYS  26   2.295  -2.339   4.767
  195    HB2  LYS  26           HB2      LYS  26   0.706  -4.268   5.188
  196    HB3  LYS  26           HB3      LYS  26   1.528  -5.127   3.901
  197    HG2  LYS  26           HG2      LYS  26   2.382  -5.903   5.980
  198    HG3  LYS  26           HG3      LYS  26   3.637  -4.944   5.196
  199    HD2  LYS  26           HD2      LYS  26   3.163  -3.066   6.626
  200    HD3  LYS  26           HD3      LYS  26   1.772  -3.899   7.323
  201    HE2  LYS  26           HE2      LYS  26   3.200  -5.554   8.324
  202    HE3  LYS  26           HE3      LYS  26   4.611  -4.887   7.509
  203    HZ1  LYS  26           HZ1      LYS  26   4.349  -2.858   8.793
  204    HZ2  LYS  26           HZ2      LYS  26   4.510  -4.190   9.816
  205    HZ3  LYS  26           HZ3      LYS  26   2.991  -3.495   9.571
  206    H    CYS  27           H        CYS  27   4.513  -3.195   4.509
  207    HA   CYS  27           HA       CYS  27   5.230  -3.277   1.664
  208    HB2  CYS  27           HB2      CYS  27   6.201  -1.416   2.994
  209    HB3  CYS  27           HB3      CYS  27   7.003  -2.601   4.017
  210    H    ILE  28           H        ILE  28   5.164  -5.353   1.125
  211    HA   ILE  28           HA       ILE  28   6.212  -7.365   2.944
  212    HB   ILE  28           HB       ILE  28   4.626  -7.576   0.369
  213   HG12  ILE  28          HG12      ILE  28   3.003  -8.691   2.014
  214   HG13  ILE  28          HG13      ILE  28   3.996  -7.974   3.277
  215   HG21  ILE  28          HG21      ILE  28   4.618  -9.860   0.414
  216   HG22  ILE  28          HG22      ILE  28   5.140  -9.952   2.097
  217   HG23  ILE  28          HG23      ILE  28   6.297  -9.513   0.837
  218   HD11  ILE  28          HD11      ILE  28   2.644  -6.444   1.079
  219   HD12  ILE  28          HD12      ILE  28   3.529  -5.772   2.453
  220   HD13  ILE  28          HD13      ILE  28   2.017  -6.644   2.718
  221    H    ASN  29           H        ASN  29   6.535  -8.290  -0.337
  222    HA   ASN  29           HA       ASN  29   9.430  -8.171  -0.049
  223    HB2  ASN  29           HB2      ASN  29   9.379  -9.611  -2.153
  224    HB3  ASN  29           HB3      ASN  29   8.722 -10.327  -0.690
  225   HD21  ASN  29          HD21      ASN  29   7.020  -7.946  -2.631
  226   HD22  ASN  29          HD22      ASN  29   5.806  -9.028  -3.221
  227    H    GLY  30           H        GLY  30   8.554  -5.703  -0.327
  228    HA2  GLY  30           HA2      GLY  30   8.919  -3.802  -1.610
  229    HA3  GLY  30           HA3      GLY  30   9.476  -4.838  -2.920
  230    H    LYS  31           H        LYS  31   6.513  -5.617  -1.449
  231    HA   LYS  31           HA       LYS  31   5.011  -4.543  -3.728
  232    HB2  LYS  31           HB2      LYS  31   5.039  -6.902  -3.991
  233    HB3  LYS  31           HB3      LYS  31   4.827  -7.175  -2.267
  234    HG2  LYS  31           HG2      LYS  31   2.580  -5.861  -2.741
  235    HG3  LYS  31           HG3      LYS  31   2.825  -6.544  -4.351
  236    HD2  LYS  31           HD2      LYS  31   3.031  -8.787  -3.318
  237    HD3  LYS  31           HD3      LYS  31   2.683  -8.060  -1.743
  238    HE2  LYS  31           HE2      LYS  31   0.516  -7.288  -2.600
  239    HE3  LYS  31           HE3      LYS  31   0.857  -8.056  -4.149
  240    HZ1  LYS  31           HZ1      LYS  31  -0.558  -9.457  -2.824
  241    HZ2  LYS  31           HZ2      LYS  31   0.536  -9.432  -1.535
  242    HZ3  LYS  31           HZ3      LYS  31   0.954 -10.199  -2.985
  243    H    CYS  32           H        CYS  32   3.202  -3.390  -3.218
  244    HA   CYS  32           HA       CYS  32   2.570  -3.034  -0.416
  245    HB2  CYS  32           HB2      CYS  32   1.918  -1.589  -2.918
  246    HB3  CYS  32           HB3      CYS  32   0.663  -1.591  -1.679
  247    H    ASP  33           H        ASP  33   1.889  -5.263  -0.081
  248    HA   ASP  33           HA       ASP  33  -0.713  -5.983  -1.105
  249    HB2  ASP  33           HB2      ASP  33   0.890  -7.709  -0.350
  250    HB3  ASP  33           HB3      ASP  33   0.802  -7.063   1.285
  251    H    CYS  34           H        CYS  34  -2.636  -5.344  -0.287
  252    HA   CYS  34           HA       CYS  34  -2.488  -3.545   2.039
  253    HB2  CYS  34           HB2      CYS  34  -4.082  -3.131  -0.489
  254    HB3  CYS  34           HB3      CYS  34  -3.977  -2.023   0.871
  255    H    THR  35           H        THR  35  -4.802  -2.879   2.717
  256    HA   THR  35           HA       THR  35  -6.678  -5.111   2.376
  257    HB   THR  35           HB       THR  35  -6.304  -3.426   4.869
  258    HG1  THR  35           HG1      THR  35  -5.748  -6.161   4.270
  259   HG21  THR  35          HG21      THR  35  -8.677  -4.132   4.221
  260   HG22  THR  35          HG22      THR  35  -8.115  -4.591   5.833
  261   HG23  THR  35          HG23      THR  35  -8.141  -5.785   4.534
  262    HA   PRO  36           HA       PRO  36  -8.956  -1.698   0.694
  263    HB2  PRO  36           HB2      PRO  36 -11.015  -3.092  -0.266
  264    HB3  PRO  36           HB3      PRO  36  -9.411  -3.238  -0.975
  265    HG2  PRO  36           HG2      PRO  36 -10.838  -5.085   0.881
  266    HG3  PRO  36           HG3      PRO  36  -9.789  -5.461  -0.497
  267    HD2  PRO  36           HD2      PRO  36  -9.004  -5.485   2.163
  268    HD3  PRO  36           HD3      PRO  36  -7.909  -5.370   0.777
  269    H    LYS  37           H        LYS  37 -11.717  -1.642   0.592
  270    HA   LYS  37           HA       LYS  37 -12.389  -0.822   3.243
  271    HB2  LYS  37           HB2      LYS  37 -13.979  -1.016   0.701
  272    HB3  LYS  37           HB3      LYS  37 -14.750  -0.620   2.226
  273    HG2  LYS  37           HG2      LYS  37 -14.368   1.463   1.381
  274    HG3  LYS  37           HG3      LYS  37 -12.907   1.228   2.338
  275    HD2  LYS  37           HD2      LYS  37 -11.661   0.620   0.363
  276    HD3  LYS  37           HD3      LYS  37 -13.127   0.687  -0.621
  277    HE2  LYS  37           HE2      LYS  37 -13.335   3.097   0.002
  278    HE3  LYS  37           HE3      LYS  37 -11.757   2.979   0.777
  279    HZ1  LYS  37           HZ1      LYS  37 -10.812   2.340  -1.375
  280    HZ2  LYS  37           HZ2      LYS  37 -11.546   3.863  -1.441
  281    HZ3  LYS  37           HZ3      LYS  37 -12.332   2.521  -2.102
  Start of MODEL   19
    1    H1   VAL   1           H1       VAL   1  -4.966  -9.573  -3.335
    2    H2   VAL   1           H2       VAL   1  -5.059  -9.024  -4.930
    3    H3   VAL   1           H3       VAL   1  -6.448  -9.069  -3.971
    4    HA   VAL   1           HA       VAL   1  -5.600  -6.828  -4.220
    5    HB   VAL   1           HB       VAL   1  -5.345  -6.291  -1.759
    6   HG11  VAL   1          HG11      VAL   1  -7.636  -6.602  -1.337
    7   HG12  VAL   1          HG12      VAL   1  -7.709  -8.050  -2.336
    8   HG13  VAL   1          HG13      VAL   1  -7.504  -6.470  -3.089
    9   HG21  VAL   1          HG21      VAL   1  -4.315  -8.384  -1.047
   10   HG22  VAL   1          HG22      VAL   1  -5.772  -9.268  -1.499
   11   HG23  VAL   1          HG23      VAL   1  -5.822  -8.103  -0.176
   12    H    GLY   2           H        GLY   2  -3.950  -5.336  -2.898
   13    HA2  GLY   2           HA2      GLY   2  -1.655  -4.962  -2.393
   14    HA3  GLY   2           HA3      GLY   2  -1.270  -6.511  -3.139
   15    H    ILE   3           H        ILE   3  -0.314  -3.658  -3.622
   16    HA   ILE   3           HA       ILE   3  -1.361  -3.292  -6.345
   17    HB   ILE   3           HB       ILE   3  -1.010  -0.977  -6.087
   18   HG12  ILE   3          HG12      ILE   3   0.521  -1.623  -3.551
   19   HG13  ILE   3          HG13      ILE   3   1.245  -1.127  -5.075
   20   HG21  ILE   3          HG21      ILE   3  -2.205  -0.506  -3.917
   21   HG22  ILE   3          HG22      ILE   3  -2.028  -2.211  -3.531
   22   HG23  ILE   3          HG23      ILE   3  -2.969  -1.718  -4.935
   23   HD11  ILE   3          HD11      ILE   3  -0.548   0.493  -3.320
   24   HD12  ILE   3          HD12      ILE   3   0.037   1.015  -4.893
   25   HD13  ILE   3          HD13      ILE   3   1.175   0.733  -3.575
   26    H    ASN   4           H        ASN   4   0.242  -1.897  -7.655
   27    HA   ASN   4           HA       ASN   4   2.812  -3.313  -7.684
   28    HB2  ASN   4           HB2      ASN   4   1.618  -3.510  -9.779
   29    HB3  ASN   4           HB3      ASN   4   1.345  -1.773  -9.842
   30   HD21  ASN   4          HD21      ASN   4   3.722  -4.310 -10.172
   31   HD22  ASN   4          HD22      ASN   4   4.892  -3.366 -11.030
   32    H    VAL   5           H        VAL   5   4.169  -2.226  -6.423
   33    HA   VAL   5           HA       VAL   5   4.905   0.470  -7.027
   34    HB   VAL   5           HB       VAL   5   2.720   0.421  -5.457
   35   HG11  VAL   5          HG11      VAL   5   3.329   0.624  -3.122
   36   HG12  VAL   5          HG12      VAL   5   4.985   0.172  -3.511
   37   HG13  VAL   5          HG13      VAL   5   3.673  -0.979  -3.764
   38   HG21  VAL   5          HG21      VAL   5   3.415   2.590  -4.527
   39   HG22  VAL   5          HG22      VAL   5   3.778   2.454  -6.246
   40   HG23  VAL   5          HG23      VAL   5   5.067   2.278  -5.057
   41    H    ASP   6           H        ASP   6   6.430   1.196  -5.056
   42    HA   ASP   6           HA       ASP   6   7.941  -1.155  -4.127
   43    HB2  ASP   6           HB2      ASP   6   9.149   1.431  -5.135
   44    HB3  ASP   6           HB3      ASP   6  10.040   0.072  -4.468
   45    H    CYS   7           H        CYS   7   7.798  -1.165  -1.980
   46    HA   CYS   7           HA       CYS   7   7.252   1.329  -0.600
   47    HB2  CYS   7           HB2      CYS   7   7.023  -0.127   1.429
   48    HB3  CYS   7           HB3      CYS   7   5.879  -0.449   0.149
   49    H    LYS   8           H        LYS   8   8.692   2.490   0.378
   50    HA   LYS   8           HA       LYS   8  11.282   1.400   1.085
   51    HB2  LYS   8           HB2      LYS   8  10.140   4.115   1.769
   52    HB3  LYS   8           HB3      LYS   8  11.833   3.639   1.778
   53    HG2  LYS   8           HG2      LYS   8  10.080   3.830  -0.663
   54    HG3  LYS   8           HG3      LYS   8  11.279   5.022  -0.158
   55    HD2  LYS   8           HD2      LYS   8  13.047   3.354  -0.408
   56    HD3  LYS   8           HD3      LYS   8  11.850   2.151  -0.891
   57    HE2  LYS   8           HE2      LYS   8  11.276   3.495  -2.841
   58    HE3  LYS   8           HE3      LYS   8  12.441   4.722  -2.351
   59    HZ1  LYS   8           HZ1      LYS   8  13.104   1.918  -3.052
   60    HZ2  LYS   8           HZ2      LYS   8  14.211   3.122  -2.632
   61    HZ3  LYS   8           HZ3      LYS   8  13.321   3.254  -4.063
   62    H    HIS   9           H        HIS   9   8.171   1.687   2.320
   63    HA   HIS   9           HA       HIS   9   8.593   0.193   4.612
   64    HB2  HIS   9           HB2      HIS   9   8.119   1.943   6.381
   65    HB3  HIS   9           HB3      HIS   9   9.734   1.987   5.697
   66    HD1  HIS   9           HD1      HIS   9  10.292   4.002   4.123
   67    HD2  HIS   9           HD2      HIS   9   6.599   4.229   6.012
   68    HE1  HIS   9           HE1      HIS   9   9.480   6.335   3.737
   69    HE2  HIS   9           HE2      HIS   9   7.358   6.518   5.086
   70    H    SER  10           H        SER  10   6.558   0.010   5.927
   71    HA   SER  10           HA       SER  10   4.376  -0.222   4.188
   72    HB2  SER  10           HB2      SER  10   3.052  -0.637   6.293
   73    HB3  SER  10           HB3      SER  10   4.505  -1.624   6.127
   74    HG   SER  10           HG       SER  10   3.910   0.390   7.943
   75    H    GLY  11           H        GLY  11   5.264   2.353   6.398
   76    HA2  GLY  11           HA2      GLY  11   2.845   3.727   6.537
   77    HA3  GLY  11           HA3      GLY  11   4.427   4.456   6.733
   78    H    GLN  12           H        GLN  12   5.255   3.769   3.954
   79    HA   GLN  12           HA       GLN  12   3.908   6.063   2.760
   80    HB2  GLN  12           HB2      GLN  12   5.717   6.014   1.064
   81    HB3  GLN  12           HB3      GLN  12   6.290   6.218   2.707
   82    HG2  GLN  12           HG2      GLN  12   7.809   4.739   1.847
   83    HG3  GLN  12           HG3      GLN  12   6.660   3.660   2.632
   84   HE21  GLN  12          HE21      GLN  12   7.836   4.874  -0.416
   85   HE22  GLN  12          HE22      GLN  12   7.140   3.629  -1.398
   86    H    CYS  13           H        CYS  13   3.134   2.994   2.874
   87    HA   CYS  13           HA       CYS  13   2.600   2.503   0.079
   88    HB2  CYS  13           HB2      CYS  13   1.786   1.072   2.610
   89    HB3  CYS  13           HB3      CYS  13   1.238   0.577   1.017
   90    H    LEU  14           H        LEU  14   1.215   4.322   2.526
   91    HA   LEU  14           HA       LEU  14  -1.512   3.757   2.299
   92    HB2  LEU  14           HB2      LEU  14  -0.125   6.292   3.137
   93    HB3  LEU  14           HB3      LEU  14  -1.819   5.947   3.402
   94    HG   LEU  14           HG       LEU  14   0.545   4.531   4.623
   95   HD11  LEU  14          HD11      LEU  14   0.037   6.639   5.660
   96   HD12  LEU  14          HD12      LEU  14  -0.445   5.321   6.729
   97   HD13  LEU  14          HD13      LEU  14  -1.664   6.199   5.803
   98   HD21  LEU  14          HD21      LEU  14  -1.068   2.839   4.157
   99   HD22  LEU  14          HD22      LEU  14  -2.384   3.847   4.757
  100   HD23  LEU  14          HD23      LEU  14  -1.172   3.224   5.876
  101    H    LYS  15           H        LYS  15   0.309   6.488   0.912
  102    HA   LYS  15           HA       LYS  15  -1.823   7.651  -0.392
  103    HB2  LYS  15           HB2      LYS  15   0.045   9.002  -0.117
  104    HB3  LYS  15           HB3      LYS  15   1.141   7.786  -0.757
  105    HG2  LYS  15           HG2      LYS  15   0.395   8.168  -2.963
  106    HG3  LYS  15           HG3      LYS  15  -0.903   9.228  -2.421
  107    HD2  LYS  15           HD2      LYS  15   0.883  10.594  -3.272
  108    HD3  LYS  15           HD3      LYS  15   0.830  10.778  -1.519
  109    HE2  LYS  15           HE2      LYS  15   3.116  10.574  -2.148
  110    HE3  LYS  15           HE3      LYS  15   2.647   9.065  -1.372
  111    HZ1  LYS  15           HZ1      LYS  15   3.924   8.575  -3.311
  112    HZ2  LYS  15           HZ2      LYS  15   2.949   9.556  -4.281
  113    HZ3  LYS  15           HZ3      LYS  15   2.322   8.129  -3.629
  114    HA   PRO  16           HA       PRO  16  -0.660   5.370  -4.459
  115    HB2  PRO  16           HB2      PRO  16   0.805   3.076  -4.272
  116    HB3  PRO  16           HB3      PRO  16   1.511   4.661  -4.598
  117    HG2  PRO  16           HG2      PRO  16   1.364   3.139  -2.034
  118    HG3  PRO  16           HG3      PRO  16   2.696   4.110  -2.690
  119    HD2  PRO  16           HD2      PRO  16   1.033   5.032  -0.757
  120    HD3  PRO  16           HD3      PRO  16   1.781   6.095  -1.965
  121    H    CYS  17           H        CYS  17  -1.154   3.551  -1.513
  122    HA   CYS  17           HA       CYS  17  -2.623   1.421  -2.730
  123    HB2  CYS  17           HB2      CYS  17  -1.472   1.208  -0.543
  124    HB3  CYS  17           HB3      CYS  17  -2.615   2.352   0.149
  125    H    LYS  18           H        LYS  18  -3.395   4.536  -1.335
  126    HA   LYS  18           HA       LYS  18  -6.217   4.134  -1.275
  127    HB2  LYS  18           HB2      LYS  18  -5.168   5.747   0.183
  128    HB3  LYS  18           HB3      LYS  18  -4.498   6.612  -1.192
  129    HG2  LYS  18           HG2      LYS  18  -6.721   7.269  -1.894
  130    HG3  LYS  18           HG3      LYS  18  -7.427   6.343  -0.566
  131    HD2  LYS  18           HD2      LYS  18  -5.430   8.540  -0.145
  132    HD3  LYS  18           HD3      LYS  18  -7.172   8.839  -0.183
  133    HE2  LYS  18           HE2      LYS  18  -5.716   6.995   1.714
  134    HE3  LYS  18           HE3      LYS  18  -6.351   8.589   2.111
  135    HZ1  LYS  18           HZ1      LYS  18  -7.861   6.887   2.847
  136    HZ2  LYS  18           HZ2      LYS  18  -7.945   6.219   1.298
  137    HZ3  LYS  18           HZ3      LYS  18  -8.580   7.757   1.591
  138    H    LYS  19           H        LYS  19  -3.921   5.601  -3.506
  139    HA   LYS  19           HA       LYS  19  -5.843   6.440  -5.415
  140    HB2  LYS  19           HB2      LYS  19  -3.542   7.334  -5.309
  141    HB3  LYS  19           HB3      LYS  19  -2.918   5.767  -5.801
  142    HG2  LYS  19           HG2      LYS  19  -4.000   5.966  -7.949
  143    HG3  LYS  19           HG3      LYS  19  -4.759   7.480  -7.458
  144    HD2  LYS  19           HD2      LYS  19  -1.782   7.035  -7.631
  145    HD3  LYS  19           HD3      LYS  19  -2.754   7.781  -8.897
  146    HE2  LYS  19           HE2      LYS  19  -2.427   8.807  -6.077
  147    HE3  LYS  19           HE3      LYS  19  -1.637   9.459  -7.510
  148    HZ1  LYS  19           HZ1      LYS  19  -4.574   9.388  -7.064
  149    HZ2  LYS  19           HZ2      LYS  19  -3.786  10.066  -8.398
  150    HZ3  LYS  19           HZ3      LYS  19  -3.589  10.746  -6.863
  151    H    ALA  20           H        ALA  20  -4.196   3.443  -4.764
  152    HA   ALA  20           HA       ALA  20  -4.895   2.093  -7.156
  153    HB1  ALA  20           HB1      ALA  20  -3.142   1.320  -5.553
  154    HB2  ALA  20           HB2      ALA  20  -4.307   0.071  -5.994
  155    HB3  ALA  20           HB3      ALA  20  -4.431   0.878  -4.432
  156    H    GLY  21           H        GLY  21  -6.404   2.354  -3.964
  157    HA2  GLY  21           HA2      GLY  21  -8.877   2.734  -4.148
  158    HA3  GLY  21           HA3      GLY  21  -8.889   1.302  -5.164
  159    H    MET  22           H        MET  22  -6.698   1.187  -2.540
  160    HA   MET  22           HA       MET  22  -8.606  -0.527  -1.098
  161    HB2  MET  22           HB2      MET  22  -5.613  -0.877  -1.315
  162    HB3  MET  22           HB3      MET  22  -6.701  -1.905  -0.386
  163    HG2  MET  22           HG2      MET  22  -7.862  -2.543  -2.423
  164    HG3  MET  22           HG3      MET  22  -6.801  -1.500  -3.367
  165    HE1  MET  22           HE1      MET  22  -5.447  -4.853  -4.615
  166    HE2  MET  22           HE2      MET  22  -5.999  -3.230  -5.025
  167    HE3  MET  22           HE3      MET  22  -7.130  -4.399  -4.345
  168    H    ARG  23           H        ARG  23  -7.379  -0.930   1.298
  169    HA   ARG  23           HA       ARG  23  -7.791   1.777   2.323
  170    HB2  ARG  23           HB2      ARG  23  -7.910  -0.895   3.724
  171    HB3  ARG  23           HB3      ARG  23  -8.186   0.649   4.516
  172    HG2  ARG  23           HG2      ARG  23  -9.985   1.002   2.706
  173    HG3  ARG  23           HG3      ARG  23  -9.840  -0.738   2.462
  174    HD2  ARG  23           HD2      ARG  23 -10.313   0.430   5.177
  175    HD3  ARG  23           HD3      ARG  23 -11.643   0.100   4.068
  176    HE   ARG  23           HE       ARG  23 -10.256  -2.239   4.145
  177   HH11  ARG  23          HH11      ARG  23 -11.709  -0.165   6.560
  178   HH12  ARG  23          HH12      ARG  23 -12.035  -1.463   7.665
  179   HH21  ARG  23          HH21      ARG  23 -10.670  -3.942   5.588
  180   HH22  ARG  23          HH22      ARG  23 -11.442  -3.624   7.107
  181    H    PHE  24           H        PHE  24  -5.878  -0.868   3.708
  182    HA   PHE  24           HA       PHE  24  -3.819   1.131   4.358
  183    HB2  PHE  24           HB2      PHE  24  -3.579  -1.416   5.741
  184    HB3  PHE  24           HB3      PHE  24  -3.674   0.210   6.416
  185    HD1  PHE  24           HD1      PHE  24  -5.607  -2.597   5.140
  186    HD2  PHE  24           HD2      PHE  24  -5.706   0.984   7.396
  187    HE1  PHE  24           HE1      PHE  24  -7.889  -3.139   5.849
  188    HE2  PHE  24           HE2      PHE  24  -7.997   0.459   8.139
  189    HZ   PHE  24           HZ       PHE  24  -9.092  -1.609   7.369
  190    H    GLY  25           H        GLY  25  -1.584   0.323   4.377
  191    HA2  GLY  25           HA2      GLY  25  -1.162  -1.755   2.335
  192    HA3  GLY  25           HA3      GLY  25  -0.391  -0.184   2.178
  193    H    LYS  26           H        LYS  26   0.512  -3.067   2.646
  194    HA   LYS  26           HA       LYS  26   2.297  -2.509   4.925
  195    HB2  LYS  26           HB2      LYS  26   0.638  -4.398   5.218
  196    HB3  LYS  26           HB3      LYS  26   1.445  -5.214   3.891
  197    HG2  LYS  26           HG2      LYS  26   3.414  -5.526   5.131
  198    HG3  LYS  26           HG3      LYS  26   2.904  -4.380   6.371
  199    HD2  LYS  26           HD2      LYS  26   2.668  -6.669   7.167
  200    HD3  LYS  26           HD3      LYS  26   1.092  -5.895   7.024
  201    HE2  LYS  26           HE2      LYS  26   0.792  -8.045   6.144
  202    HE3  LYS  26           HE3      LYS  26   0.934  -6.997   4.737
  203    HZ1  LYS  26           HZ1      LYS  26   3.029  -8.769   5.860
  204    HZ2  LYS  26           HZ2      LYS  26   3.311  -7.652   4.626
  205    HZ3  LYS  26           HZ3      LYS  26   2.240  -8.938   4.373
  206    H    CYS  27           H        CYS  27   4.488  -3.349   4.680
  207    HA   CYS  27           HA       CYS  27   5.314  -3.126   1.881
  208    HB2  CYS  27           HB2      CYS  27   6.332  -1.566   3.528
  209    HB3  CYS  27           HB3      CYS  27   7.024  -2.950   4.369
  210    H    ILE  28           H        ILE  28   5.433  -4.991   0.892
  211    HA   ILE  28           HA       ILE  28   6.326  -7.366   2.324
  212    HB   ILE  28           HB       ILE  28   4.769  -6.850  -0.212
  213   HG12  ILE  28          HG12      ILE  28   3.234  -8.506   0.901
  214   HG13  ILE  28          HG13      ILE  28   4.313  -8.443   2.287
  215   HG21  ILE  28          HG21      ILE  28   4.700  -9.215  -0.750
  216   HG22  ILE  28          HG22      ILE  28   5.880  -9.549   0.514
  217   HG23  ILE  28          HG23      ILE  28   6.341  -8.587  -0.892
  218   HD11  ILE  28          HD11      ILE  28   3.003  -6.027   1.140
  219   HD12  ILE  28          HD12      ILE  28   3.816  -6.187   2.695
  220   HD13  ILE  28          HD13      ILE  28   2.277  -7.003   2.415
  221    H    ASN  29           H        ASN  29   7.587  -8.738   0.195
  222    HA   ASN  29           HA       ASN  29  10.177  -8.074   0.499
  223    HB2  ASN  29           HB2      ASN  29  10.732  -9.280  -1.565
  224    HB3  ASN  29           HB3      ASN  29   9.515 -10.131  -0.632
  225   HD21  ASN  29          HD21      ASN  29   7.473 -10.376  -1.460
  226   HD22  ASN  29          HD22      ASN  29   7.071  -9.986  -3.097
  227    H    GLY  30           H        GLY  30   8.160  -6.768  -2.119
  228    HA2  GLY  30           HA2      GLY  30   9.780  -4.354  -1.950
  229    HA3  GLY  30           HA3      GLY  30   9.733  -5.153  -3.514
  230    H    LYS  31           H        LYS  31   6.816  -5.611  -1.881
  231    HA   LYS  31           HA       LYS  31   5.658  -3.509  -3.575
  232    HB2  LYS  31           HB2      LYS  31   3.942  -5.040  -4.311
  233    HB3  LYS  31           HB3      LYS  31   5.527  -5.712  -4.647
  234    HG2  LYS  31           HG2      LYS  31   4.507  -7.569  -3.842
  235    HG3  LYS  31           HG3      LYS  31   5.134  -6.912  -2.331
  236    HD2  LYS  31           HD2      LYS  31   2.870  -7.549  -1.948
  237    HD3  LYS  31           HD3      LYS  31   2.917  -5.787  -2.004
  238    HE2  LYS  31           HE2      LYS  31   1.008  -6.529  -3.248
  239    HE3  LYS  31           HE3      LYS  31   2.199  -5.905  -4.385
  240    HZ1  LYS  31           HZ1      LYS  31   1.756  -8.776  -3.770
  241    HZ2  LYS  31           HZ2      LYS  31   2.862  -8.162  -4.894
  242    HZ3  LYS  31           HZ3      LYS  31   1.205  -7.974  -5.150
  243    H    CYS  32           H        CYS  32   3.670  -2.648  -2.952
  244    HA   CYS  32           HA       CYS  32   3.132  -2.822  -0.099
  245    HB2  CYS  32           HB2      CYS  32   2.235  -0.928  -2.276
  246    HB3  CYS  32           HB3      CYS  32   1.512  -0.902  -0.665
  247    H    ASP  33           H        ASP  33   2.118  -4.793   0.107
  248    HA   ASP  33           HA       ASP  33  -0.269  -5.384  -1.372
  249    HB2  ASP  33           HB2      ASP  33   1.060  -7.261  -0.710
  250    HB3  ASP  33           HB3      ASP  33   1.048  -6.748   0.972
  251    H    CYS  34           H        CYS  34  -2.367  -5.201  -0.650
  252    HA   CYS  34           HA       CYS  34  -2.671  -3.449   1.697
  253    HB2  CYS  34           HB2      CYS  34  -3.884  -3.202  -1.048
  254    HB3  CYS  34           HB3      CYS  34  -4.509  -2.339   0.349
  255    H    THR  35           H        THR  35  -4.709  -3.468   2.737
  256    HA   THR  35           HA       THR  35  -6.385  -5.800   2.141
  257    HB   THR  35           HB       THR  35  -6.374  -4.005   4.580
  258    HG1  THR  35           HG1      THR  35  -4.907  -6.202   3.905
  259   HG21  THR  35          HG21      THR  35  -8.579  -5.062   3.956
  260   HG22  THR  35          HG22      THR  35  -7.957  -5.496   5.552
  261   HG23  THR  35          HG23      THR  35  -7.805  -6.630   4.211
  262    HA   PRO  36           HA       PRO  36  -9.026  -2.780   0.286
  263    HB2  PRO  36           HB2      PRO  36 -10.893  -4.405  -0.673
  264    HB3  PRO  36           HB3      PRO  36  -9.233  -4.495  -1.270
  265    HG2  PRO  36           HG2      PRO  36 -10.619  -6.236   0.734
  266    HG3  PRO  36           HG3      PRO  36  -9.568  -6.702  -0.613
  267    HD2  PRO  36           HD2      PRO  36  -8.733  -6.454   2.008
  268    HD3  PRO  36           HD3      PRO  36  -7.662  -6.331   0.602
  269    H    LYS  37           H        LYS  37 -11.715  -2.918   0.125
  270    HA   LYS  37           HA       LYS  37 -12.545  -2.012   2.701
  271    HB2  LYS  37           HB2      LYS  37 -14.304  -2.603   0.324
  272    HB3  LYS  37           HB3      LYS  37 -14.688  -1.571   1.689
  273    HG2  LYS  37           HG2      LYS  37 -12.650  -1.055  -0.456
  274    HG3  LYS  37           HG3      LYS  37 -14.176  -0.213  -0.208
  275    HD2  LYS  37           HD2      LYS  37 -13.308   0.502   2.031
  276    HD3  LYS  37           HD3      LYS  37 -11.745  -0.173   1.562
  277    HE2  LYS  37           HE2      LYS  37 -13.238   2.066   0.202
  278    HE3  LYS  37           HE3      LYS  37 -11.750   2.202   1.135
  279    HZ1  LYS  37           HZ1      LYS  37 -12.088   0.788  -1.453
  280    HZ2  LYS  37           HZ2      LYS  37 -10.668   0.788  -0.540
  281    HZ3  LYS  37           HZ3      LYS  37 -11.245   2.232  -1.194
  Start of MODEL   20
    1    H1   VAL   1           H1       VAL   1  -5.098  -9.277  -4.607
    2    H2   VAL   1           H2       VAL   1  -6.521  -8.756  -3.863
    3    H3   VAL   1           H3       VAL   1  -5.188  -9.209  -2.921
    4    HA   VAL   1           HA       VAL   1  -5.263  -6.922  -4.790
    5    HB   VAL   1           HB       VAL   1  -5.072  -5.547  -2.677
    6   HG11  VAL   1          HG11      VAL   1  -7.432  -5.445  -2.315
    7   HG12  VAL   1          HG12      VAL   1  -7.645  -7.096  -2.902
    8   HG13  VAL   1          HG13      VAL   1  -7.163  -5.819  -4.020
    9   HG21  VAL   1          HG21      VAL   1  -4.415  -7.335  -1.155
   10   HG22  VAL   1          HG22      VAL   1  -5.976  -8.120  -1.390
   11   HG23  VAL   1          HG23      VAL   1  -5.891  -6.548  -0.599
   12    H    GLY   2           H        GLY   2  -3.480  -5.334  -3.737
   13    HA2  GLY   2           HA2      GLY   2  -1.204  -5.328  -2.854
   14    HA3  GLY   2           HA3      GLY   2  -1.022  -6.947  -3.516
   15    H    ILE   3           H        ILE   3  -0.490  -3.691  -4.047
   16    HA   ILE   3           HA       ILE   3  -0.871  -3.791  -6.935
   17    HB   ILE   3           HB       ILE   3  -0.529  -1.433  -6.935
   18   HG12  ILE   3          HG12      ILE   3   0.392  -1.743  -4.073
   19   HG13  ILE   3          HG13      ILE   3   1.427  -1.392  -5.448
   20   HG21  ILE   3          HG21      ILE   3  -2.204  -0.670  -5.295
   21   HG22  ILE   3          HG22      ILE   3  -2.094  -2.230  -4.480
   22   HG23  ILE   3          HG23      ILE   3  -2.708  -2.138  -6.131
   23   HD11  ILE   3          HD11      ILE   3  -0.658   0.364  -4.225
   24   HD12  ILE   3          HD12      ILE   3   0.116   0.717  -5.762
   25   HD13  ILE   3          HD13      ILE   3   1.078   0.632  -4.286
   26    H    ASN   4           H        ASN   4   0.874  -2.413  -8.111
   27    HA   ASN   4           HA       ASN   4   3.480  -3.655  -7.560
   28    HB2  ASN   4           HB2      ASN   4   2.610  -4.182  -9.780
   29    HB3  ASN   4           HB3      ASN   4   2.366  -2.473 -10.119
   30   HD21  ASN   4          HD21      ASN   4   4.701  -5.019  -9.753
   31   HD22  ASN   4          HD22      ASN   4   6.028  -4.181 -10.477
   32    H    VAL   5           H        VAL   5   4.697  -2.340  -6.395
   33    HA   VAL   5           HA       VAL   5   5.105   0.404  -7.160
   34    HB   VAL   5           HB       VAL   5   2.921   0.210  -5.718
   35   HG11  VAL   5          HG11      VAL   5   3.331   0.350  -3.315
   36   HG12  VAL   5          HG12      VAL   5   5.033  -0.003  -3.590
   37   HG13  VAL   5          HG13      VAL   5   3.806  -1.206  -3.991
   38   HG21  VAL   5          HG21      VAL   5   3.276   2.390  -4.790
   39   HG22  VAL   5          HG22      VAL   5   4.082   2.317  -6.357
   40   HG23  VAL   5          HG23      VAL   5   5.025   2.198  -4.874
   41    H    ASP   6           H        ASP   6   6.404   1.404  -5.078
   42    HA   ASP   6           HA       ASP   6   8.227  -0.660  -4.080
   43    HB2  ASP   6           HB2      ASP   6   9.056   1.962  -5.309
   44    HB3  ASP   6           HB3      ASP   6  10.126   0.919  -4.387
   45    H    CYS   7           H        CYS   7   7.830  -0.629  -2.016
   46    HA   CYS   7           HA       CYS   7   7.331   1.884  -0.627
   47    HB2  CYS   7           HB2      CYS   7   6.990   0.273   1.360
   48    HB3  CYS   7           HB3      CYS   7   5.772   0.326   0.104
   49    H    LYS   8           H        LYS   8   8.944   2.937   0.314
   50    HA   LYS   8           HA       LYS   8  11.393   1.673   1.064
   51    HB2  LYS   8           HB2      LYS   8  11.175   4.126   0.565
   52    HB3  LYS   8           HB3      LYS   8  10.242   4.300   2.042
   53    HG2  LYS   8           HG2      LYS   8  12.504   4.977   2.445
   54    HG3  LYS   8           HG3      LYS   8  12.160   3.484   3.325
   55    HD2  LYS   8           HD2      LYS   8  13.262   2.194   1.551
   56    HD3  LYS   8           HD3      LYS   8  13.623   3.692   0.692
   57    HE2  LYS   8           HE2      LYS   8  14.966   4.445   2.599
   58    HE3  LYS   8           HE3      LYS   8  14.615   2.935   3.437
   59    HZ1  LYS   8           HZ1      LYS   8  16.777   2.881   2.359
   60    HZ2  LYS   8           HZ2      LYS   8  16.063   3.175   0.856
   61    HZ3  LYS   8           HZ3      LYS   8  15.742   1.730   1.675
   62    H    HIS   9           H        HIS   9   8.283   2.004   2.362
   63    HA   HIS   9           HA       HIS   9   8.717   0.356   4.598
   64    HB2  HIS   9           HB2      HIS   9   8.115   2.133   6.348
   65    HB3  HIS   9           HB3      HIS   9   9.766   2.138   5.746
   66    HD1  HIS   9           HD1      HIS   9  10.530   4.161   4.396
   67    HD2  HIS   9           HD2      HIS   9   6.560   4.376   5.597
   68    HE1  HIS   9           HE1      HIS   9   9.775   6.475   3.795
   69    HE2  HIS   9           HE2      HIS   9   7.432   6.647   4.714
   70    H    SER  10           H        SER  10   6.680   0.226   5.973
   71    HA   SER  10           HA       SER  10   4.486  -0.086   4.203
   72    HB2  SER  10           HB2      SER  10   3.247  -0.571   6.409
   73    HB3  SER  10           HB3      SER  10   4.590  -1.623   5.968
   74    HG   SER  10           HG       SER  10   4.294  -0.167   8.172
   75    H    GLY  11           H        GLY  11   5.349   2.408   6.505
   76    HA2  GLY  11           HA2      GLY  11   2.906   3.676   6.847
   77    HA3  GLY  11           HA3      GLY  11   4.463   4.482   6.915
   78    H    GLN  12           H        GLN  12   5.120   3.903   4.117
   79    HA   GLN  12           HA       GLN  12   3.607   6.131   2.997
   80    HB2  GLN  12           HB2      GLN  12   5.359   6.463   1.513
   81    HB3  GLN  12           HB3      GLN  12   6.198   5.831   2.922
   82    HG2  GLN  12           HG2      GLN  12   6.235   3.609   1.901
   83    HG3  GLN  12           HG3      GLN  12   5.402   4.249   0.486
   84   HE21  GLN  12          HE21      GLN  12   7.004   3.831  -0.969
   85   HE22  GLN  12          HE22      GLN  12   8.532   4.646  -0.957
   86    H    CYS  13           H        CYS  13   3.159   2.927   3.133
   87    HA   CYS  13           HA       CYS  13   2.771   2.309   0.338
   88    HB2  CYS  13           HB2      CYS  13   3.608   0.609   1.889
   89    HB3  CYS  13           HB3      CYS  13   2.146   0.745   2.852
   90    H    LEU  14           H        LEU  14   0.980   3.679   2.847
   91    HA   LEU  14           HA       LEU  14  -1.632   2.852   2.200
   92    HB2  LEU  14           HB2      LEU  14  -0.485   5.209   3.652
   93    HB3  LEU  14           HB3      LEU  14  -2.192   5.125   3.321
   94    HG   LEU  14           HG       LEU  14  -2.392   3.091   4.647
   95   HD11  LEU  14          HD11      LEU  14  -0.090   2.277   4.146
   96   HD12  LEU  14          HD12      LEU  14  -0.568   2.139   5.837
   97   HD13  LEU  14          HD13      LEU  14   0.519   3.433   5.328
   98   HD21  LEU  14          HD21      LEU  14  -0.920   5.316   6.040
   99   HD22  LEU  14          HD22      LEU  14  -1.876   4.069   6.840
  100   HD23  LEU  14          HD23      LEU  14  -2.660   5.226   5.763
  101    H    LYS  15           H        LYS  15   0.255   5.698   1.256
  102    HA   LYS  15           HA       LYS  15  -1.684   7.127  -0.056
  103    HB2  LYS  15           HB2      LYS  15   0.749   7.723   0.561
  104    HB3  LYS  15           HB3      LYS  15   1.154   7.077  -1.020
  105    HG2  LYS  15           HG2      LYS  15  -0.357   8.686  -2.060
  106    HG3  LYS  15           HG3      LYS  15  -0.746   9.322  -0.461
  107    HD2  LYS  15           HD2      LYS  15   1.611   9.922  -0.140
  108    HD3  LYS  15           HD3      LYS  15   1.978   9.313  -1.754
  109    HE2  LYS  15           HE2      LYS  15   0.481  10.979  -2.726
  110    HE3  LYS  15           HE3      LYS  15   0.094  11.580  -1.114
  111    HZ1  LYS  15           HZ1      LYS  15   1.751  12.963  -2.157
  112    HZ2  LYS  15           HZ2      LYS  15   2.766  11.634  -2.404
  113    HZ3  LYS  15           HZ3      LYS  15   2.435  12.165  -0.833
  114    HA   PRO  16           HA       PRO  16  -0.472   5.283  -4.323
  115    HB2  PRO  16           HB2      PRO  16   0.878   2.934  -4.435
  116    HB3  PRO  16           HB3      PRO  16   1.692   4.504  -4.381
  117    HG2  PRO  16           HG2      PRO  16   1.148   2.575  -2.153
  118    HG3  PRO  16           HG3      PRO  16   2.643   3.459  -2.524
  119    HD2  PRO  16           HD2      PRO  16   0.940   4.294  -0.611
  120    HD3  PRO  16           HD3      PRO  16   1.850   5.434  -1.617
  121    H    CYS  17           H        CYS  17  -1.180   3.019  -1.727
  122    HA   CYS  17           HA       CYS  17  -2.750   1.293  -3.364
  123    HB2  CYS  17           HB2      CYS  17  -1.989   1.514  -0.505
  124    HB3  CYS  17           HB3      CYS  17  -3.434   0.613  -0.893
  125    H    LYS  18           H        LYS  18  -3.247   4.107  -1.391
  126    HA   LYS  18           HA       LYS  18  -6.055   3.874  -1.097
  127    HB2  LYS  18           HB2      LYS  18  -4.626   5.291   0.330
  128    HB3  LYS  18           HB3      LYS  18  -4.256   6.310  -1.048
  129    HG2  LYS  18           HG2      LYS  18  -7.085   5.945  -0.152
  130    HG3  LYS  18           HG3      LYS  18  -6.017   7.079   0.676
  131    HD2  LYS  18           HD2      LYS  18  -5.543   8.085  -1.587
  132    HD3  LYS  18           HD3      LYS  18  -6.866   7.100  -2.211
  133    HE2  LYS  18           HE2      LYS  18  -8.403   8.153  -0.629
  134    HE3  LYS  18           HE3      LYS  18  -7.083   9.135   0.003
  135    HZ1  LYS  18           HZ1      LYS  18  -6.843  10.117  -2.216
  136    HZ2  LYS  18           HZ2      LYS  18  -8.369  10.405  -1.550
  137    HZ3  LYS  18           HZ3      LYS  18  -8.181   9.230  -2.750
  138    H    LYS  19           H        LYS  19  -3.924   5.375  -3.469
  139    HA   LYS  19           HA       LYS  19  -5.967   6.452  -5.118
  140    HB2  LYS  19           HB2      LYS  19  -3.562   7.112  -5.240
  141    HB3  LYS  19           HB3      LYS  19  -3.199   5.536  -5.929
  142    HG2  LYS  19           HG2      LYS  19  -4.890   6.152  -7.751
  143    HG3  LYS  19           HG3      LYS  19  -4.742   7.801  -7.143
  144    HD2  LYS  19           HD2      LYS  19  -2.488   6.070  -8.154
  145    HD3  LYS  19           HD3      LYS  19  -3.233   7.411  -9.025
  146    HE2  LYS  19           HE2      LYS  19  -1.862   7.692  -6.358
  147    HE3  LYS  19           HE3      LYS  19  -1.058   7.944  -7.903
  148    HZ1  LYS  19           HZ1      LYS  19  -1.809  10.021  -6.934
  149    HZ2  LYS  19           HZ2      LYS  19  -3.405   9.466  -6.918
  150    HZ3  LYS  19           HZ3      LYS  19  -2.614   9.717  -8.390
  151    H    ALA  20           H        ALA  20  -4.390   3.339  -4.876
  152    HA   ALA  20           HA       ALA  20  -5.482   2.260  -7.284
  153    HB1  ALA  20           HB1      ALA  20  -4.094   1.000  -4.922
  154    HB2  ALA  20           HB2      ALA  20  -3.444   1.325  -6.530
  155    HB3  ALA  20           HB3      ALA  20  -4.669   0.077  -6.312
  156    H    GLY  21           H        GLY  21  -6.764   2.819  -4.183
  157    HA2  GLY  21           HA2      GLY  21  -9.177   2.715  -4.022
  158    HA3  GLY  21           HA3      GLY  21  -9.122   1.231  -4.956
  159    H    MET  22           H        MET  22  -6.687   1.418  -2.589
  160    HA   MET  22           HA       MET  22  -8.267  -0.381  -0.902
  161    HB2  MET  22           HB2      MET  22  -5.284  -0.082  -1.190
  162    HB3  MET  22           HB3      MET  22  -6.038  -1.070   0.051
  163    HG2  MET  22           HG2      MET  22  -5.461  -2.553  -1.666
  164    HG3  MET  22           HG3      MET  22  -7.203  -2.300  -1.821
  165    HE1  MET  22           HE1      MET  22  -6.092  -2.746  -5.544
  166    HE2  MET  22           HE2      MET  22  -7.206  -3.275  -4.283
  167    HE3  MET  22           HE3      MET  22  -5.480  -3.598  -4.126
  168    H    ARG  23           H        ARG  23  -7.174  -0.325   1.499
  169    HA   ARG  23           HA       ARG  23  -7.749   2.450   2.307
  170    HB2  ARG  23           HB2      ARG  23  -8.118  -0.170   3.757
  171    HB3  ARG  23           HB3      ARG  23  -8.330   1.390   4.533
  172    HG2  ARG  23           HG2      ARG  23 -10.006   1.903   2.712
  173    HG3  ARG  23           HG3      ARG  23  -9.908   0.197   2.301
  174    HD2  ARG  23           HD2      ARG  23 -10.527   1.108   5.085
  175    HD3  ARG  23           HD3      ARG  23 -11.788   0.913   3.867
  176    HE   ARG  23           HE       ARG  23 -10.568  -1.450   3.722
  177   HH11  ARG  23          HH11      ARG  23 -11.650   0.389   6.500
  178   HH12  ARG  23          HH12      ARG  23 -11.929  -1.018   7.471
  179   HH21  ARG  23          HH21      ARG  23 -10.926  -3.273   4.977
  180   HH22  ARG  23          HH22      ARG  23 -11.524  -3.118   6.599
  181    H    PHE  24           H        PHE  24  -5.799  -0.316   3.355
  182    HA   PHE  24           HA       PHE  24  -4.006   1.556   4.751
  183    HB2  PHE  24           HB2      PHE  24  -3.866  -1.399   5.163
  184    HB3  PHE  24           HB3      PHE  24  -3.623  -0.092   6.322
  185    HD1  PHE  24           HD2      PHE  24  -5.570   0.996   7.382
  186    HD2  PHE  24           HD1      PHE  24  -5.980  -2.283   4.730
  187    HE1  PHE  24           HE2      PHE  24  -7.891   0.673   8.138
  188    HE2  PHE  24           HE1      PHE  24  -8.296  -2.621   5.475
  189    HZ   PHE  24           HZ       PHE  24  -9.253  -1.139   7.194
  190    H    GLY  25           H        GLY  25  -1.822  -0.282   4.971
  191    HA2  GLY  25           HA2      GLY  25  -1.095  -1.281   2.410
  192    HA3  GLY  25           HA3      GLY  25  -0.344   0.280   2.707
  193    H    LYS  26           H        LYS  26   0.458  -2.736   2.611
  194    HA   LYS  26           HA       LYS  26   2.331  -2.509   4.866
  195    HB2  LYS  26           HB2      LYS  26   0.526  -4.324   5.120
  196    HB3  LYS  26           HB3      LYS  26   1.330  -5.134   3.784
  197    HG2  LYS  26           HG2      LYS  26   2.179  -6.141   5.716
  198    HG3  LYS  26           HG3      LYS  26   3.444  -5.043   5.166
  199    HD2  LYS  26           HD2      LYS  26   3.417  -4.530   7.398
  200    HD3  LYS  26           HD3      LYS  26   2.228  -3.369   6.807
  201    HE2  LYS  26           HE2      LYS  26   1.611  -6.065   8.015
  202    HE3  LYS  26           HE3      LYS  26   1.468  -4.517   8.840
  203    HZ1  LYS  26           HZ1      LYS  26  -0.218  -3.863   7.232
  204    HZ2  LYS  26           HZ2      LYS  26  -0.667  -5.275   8.041
  205    HZ3  LYS  26           HZ3      LYS  26  -0.087  -5.360   6.457
  206    H    CYS  27           H        CYS  27   4.426  -3.301   4.424
  207    HA   CYS  27           HA       CYS  27   5.046  -3.096   1.573
  208    HB2  CYS  27           HB2      CYS  27   6.129  -1.533   3.204
  209    HB3  CYS  27           HB3      CYS  27   6.937  -2.921   3.925
  210    H    ILE  28           H        ILE  28   5.225  -4.975   0.531
  211    HA   ILE  28           HA       ILE  28   6.401  -7.244   1.965
  212    HB   ILE  28           HB       ILE  28   4.496  -7.034  -0.367
  213   HG12  ILE  28          HG12      ILE  28   4.410  -8.208   2.388
  214   HG13  ILE  28          HG13      ILE  28   3.368  -6.984   1.682
  215   HG21  ILE  28          HG21      ILE  28   4.580  -9.400  -0.724
  216   HG22  ILE  28          HG22      ILE  28   5.785  -9.595   0.547
  217   HG23  ILE  28          HG23      ILE  28   6.204  -8.741  -0.938
  218   HD11  ILE  28          HD11      ILE  28   2.458  -8.719   0.166
  219   HD12  ILE  28          HD12      ILE  28   2.137  -9.014   1.875
  220   HD13  ILE  28          HD13      ILE  28   3.403  -9.919   1.045
  221    H    ASN  29           H        ASN  29   7.724  -8.672   0.255
  222    HA   ASN  29           HA       ASN  29  10.079  -7.359  -0.072
  223    HB2  ASN  29           HB2      ASN  29  10.858  -9.177  -1.476
  224    HB3  ASN  29           HB3      ASN  29   9.860  -9.808  -0.173
  225   HD21  ASN  29          HD21      ASN  29   7.857 -10.682  -0.645
  226   HD22  ASN  29          HD22      ASN  29   7.381 -11.091  -2.255
  227    H    GLY  30           H        GLY  30   7.514  -7.527  -2.516
  228    HA2  GLY  30           HA2      GLY  30   8.882  -5.241  -3.756
  229    HA3  GLY  30           HA3      GLY  30   8.427  -6.597  -4.771
  230    H    LYS  31           H        LYS  31   6.031  -6.278  -2.414
  231    HA   LYS  31           HA       LYS  31   4.475  -4.699  -4.352
  232    HB2  LYS  31           HB2      LYS  31   2.628  -6.221  -4.184
  233    HB3  LYS  31           HB3      LYS  31   4.074  -7.134  -4.595
  234    HG2  LYS  31           HG2      LYS  31   4.296  -7.732  -2.193
  235    HG3  LYS  31           HG3      LYS  31   2.728  -6.974  -1.917
  236    HD2  LYS  31           HD2      LYS  31   3.202  -9.219  -3.870
  237    HD3  LYS  31           HD3      LYS  31   2.658  -9.447  -2.211
  238    HE2  LYS  31           HE2      LYS  31   0.670  -8.096  -2.680
  239    HE3  LYS  31           HE3      LYS  31   1.216  -7.870  -4.340
  240    HZ1  LYS  31           HZ1      LYS  31   1.079 -10.281  -4.649
  241    HZ2  LYS  31           HZ2      LYS  31  -0.420  -9.619  -4.231
  242    HZ3  LYS  31           HZ3      LYS  31   0.487 -10.455  -3.074
  243    H    CYS  32           H        CYS  32   2.731  -3.511  -3.541
  244    HA   CYS  32           HA       CYS  32   2.747  -3.090  -0.657
  245    HB2  CYS  32           HB2      CYS  32   1.962  -1.467  -2.957
  246    HB3  CYS  32           HB3      CYS  32   0.715  -1.509  -1.715
  247    H    ASP  33           H        ASP  33   1.855  -4.973   0.087
  248    HA   ASP  33           HA       ASP  33  -0.719  -5.859  -0.845
  249    HB2  ASP  33           HB2      ASP  33   0.727  -7.558  -0.010
  250    HB3  ASP  33           HB3      ASP  33   1.012  -6.684   1.490
  251    H    CYS  34           H        CYS  34  -2.352  -4.556  -0.507
  252    HA   CYS  34           HA       CYS  34  -2.658  -3.307   2.139
  253    HB2  CYS  34           HB2      CYS  34  -3.509  -2.102  -0.496
  254    HB3  CYS  34           HB3      CYS  34  -3.461  -1.315   1.080
  255    H    THR  35           H        THR  35  -4.758  -3.236   2.972
  256    HA   THR  35           HA       THR  35  -6.551  -5.170   1.744
  257    HB   THR  35           HB       THR  35  -6.835  -3.749   4.400
  258    HG1  THR  35           HG1      THR  35  -5.403  -5.993   3.601
  259   HG21  THR  35          HG21      THR  35  -8.931  -4.646   3.381
  260   HG22  THR  35          HG22      THR  35  -8.501  -5.392   4.922
  261   HG23  THR  35          HG23      THR  35  -8.194  -6.250   3.412
  262    HA   PRO  36           HA       PRO  36  -8.857  -1.832   0.023
  263    HB2  PRO  36           HB2      PRO  36 -10.696  -3.263  -1.273
  264    HB3  PRO  36           HB3      PRO  36  -8.998  -3.316  -1.747
  265    HG2  PRO  36           HG2      PRO  36 -10.570  -5.270  -0.116
  266    HG3  PRO  36           HG3      PRO  36  -9.401  -5.582  -1.413
  267    HD2  PRO  36           HD2      PRO  36  -8.815  -5.699   1.278
  268    HD3  PRO  36           HD3      PRO  36  -7.618  -5.414   0.003
  269    H    LYS  37           H        LYS  37 -11.613  -1.995  -0.402
  270    HA   LYS  37           HA       LYS  37 -12.560  -0.990   2.058
  271    HB2  LYS  37           HB2      LYS  37 -14.074  -1.789  -0.426
  272    HB3  LYS  37           HB3      LYS  37 -14.813  -0.998   0.950
  273    HG2  LYS  37           HG2      LYS  37 -14.452   0.704  -0.599
  274    HG3  LYS  37           HG3      LYS  37 -13.140   0.882   0.565
  275    HD2  LYS  37           HD2      LYS  37 -11.556  -0.008  -0.918
  276    HD3  LYS  37           HD3      LYS  37 -12.797  -0.700  -1.963
  277    HE2  LYS  37           HE2      LYS  37 -11.813   1.257  -3.005
  278    HE3  LYS  37           HE3      LYS  37 -13.501   1.558  -2.607
  279    HZ1  LYS  37           HZ1      LYS  37 -12.091   3.440  -2.055
  280    HZ2  LYS  37           HZ2      LYS  37 -11.172   2.479  -1.014
  281    HZ3  LYS  37           HZ3      LYS  37 -12.795   2.790  -0.662