*HEADER    TOXIN                                   21-FEB-14   2MLA              
*TITLE     SOLUTION STRUCTURE OF BMKTX-D19K                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: POTASSIUM CHANNEL TOXIN ALPHA-KTX 3.6;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: BMKTX, KALIOTOXIN;                                          
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 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_TYPE: VECTOR;                               
*SOURCE   8 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 2MLA    0                                                


     Assignment              w1              w2           Volume
                                                                
       G2H-V1HB           9.116           1.990        1.87e+07 ga
     G2H-V1HG21           9.115           0.902        1.06e+08 ga
        G2H-HA2           9.114           4.600        2.24e+08 ga
        G2H-HA3           9.115           3.794        3.88e+08 ga
        G2H-I3H           9.115           8.105        3.64e+07 ga
     G2H-I3HG21           9.114           0.759        7.19e+06 ga
      G2H-D33HA           9.113           5.102        1.88e+07 ga
      I3H-G2HA2           8.111           4.601        3.35e+08 ga
      I3H-G2HA3           8.112           3.798        1.32e+08 ga
         I3H-HA           8.112           4.669        2.72e+07 ga
         I3H-HB           8.112           1.933        2.42e+07 ga
       I3H-HD11           8.111           0.599        2.47e+07 ga
       I3H-HG12           8.111           1.027        4.52e+08 ga
       I3H-HG13           8.111           0.991        7.18e+07 ga
       I3H-HG21           8.112           0.760        7.19e+07 ga
     I3H-V5HG11           8.111           0.901        7.09e+06 ga
     I3H-V5HG21           8.112           0.834        5.40e+06 ga
     I3H-C32HB2           8.099           2.610        2.25e+06 ga
     I3H-C32HB3           8.112           2.434        7.11e+06 ga
      I3H-D33HA           8.112           5.103        1.01e+08 ga
        N4H-I3H           8.843           8.104        7.30e+07 ga
       N4H-I3HA           8.843           4.668        3.02e+08 ga
       N4H-I3HB           8.844           1.935        2.02e+08 ga
     N4H-I3HD11           8.843           0.600        3.84e+07 ga
        N4H-HB2           8.844           2.952        1.40e+08 ga
        N4H-HB3           8.843           2.605        2.03e+08 ga
        N4H-V5H           8.842           7.622        6.11e+07 ga
     N4H-T5HG21           8.845           0.902        1.98e+07 ga
     N4HD21-HB2           7.618           2.954        1.20e+08 ga
     N4HD21-HB3           7.617           2.605        6.98e+07 ga
  N4HD21-V5HG21           7.618           0.831        1.33e+07 ga
     N4HD22-HB2           6.889           2.959        4.11e+07 ga
     N4HD22-HB3           6.889           2.606        2.58e+07 ga
         V5H-HA           7.633           4.125        3.24e+06 ga
         V5H-HB           7.635           1.282        8.78e+06 ga
       V5H-HG11           7.639           0.903        6.76e+05 ga
     K6H-I3HD11           8.495           0.597        2.78e+06 ga
       K6H-V5HA           8.498           4.119        6.59e+08 ga
       K6H-V5HB           8.495           1.282        7.41e+07 ga
     K6H-V5HG21           8.497           0.832        5.95e+07 ga
         K6H-HA           8.497           4.771        2.75e+07 ga
        K6H-HE#           8.496           2.971        4.67e+07 ga
        K6H-HB3           8.497           1.684        3.17e+08 ga
        K6H-C7H           8.497           8.062        3.92e+07 ga
     C7H-V5HG11           8.068           0.903        9.98e+05 ga
       C7H-K6HA           8.070           4.771        2.27e+08 ga
      C7H-K6HB2           8.061           1.818        1.46e+08 ga
      C7H-K6HG#           8.061           1.382        4.61e+07 ga
         C7H-HA           8.062           4.608        3.18e+08 ga
        C7H-HB2           8.066           2.959        1.74e+08 ga
        C7H-HB3           8.066           2.702        3.24e+08 ga
      C7H-K31HA           8.070           5.284        2.28e+08 ga
      C7H-K31HA           8.061           5.284        1.11e+07 ga
       K8H-C7HA           8.955           4.607        2.42e+08 ga
      K8H-C7HB2           8.955           2.955        9.80e+07 ga
      K8H-C7HB3           8.955           2.702        4.57e+07 ga
         K8H-HA           8.961           4.334        3.64e+08 ga
        K8H-HB2           8.955           1.564        1.34e+08 ga
        K8H-HB3           8.955           1.513        8.45e+07 ga
        K8H-HG2           8.956           1.330        1.20e+08 ga
        K8H-HG3           8.955           1.243        3.11e+07 ga
      K8H-H9HE1           8.954           7.130        1.91e+07 ga
     K8H-Q12HB2           8.954           2.371        6.06e+07 ga
     K8H-Q12HB3           8.955           2.207        1.04e+07 ga
    K8H-Q12HE21           8.955           7.796        6.00e+06 ga
    K8H-Q12HE22           8.955           7.049        1.95e+07 ga
       H9H-K8HA           8.056           4.328        1.43e+08 ga
      H9H-K8HB2           8.066           1.556        3.21e+07 ga
      H9H-K8HB3           8.067           1.520        1.47e+08 ga
      H9H-K8HG3           8.067           1.252        7.44e+06 ga
         H9H-HA           8.067           5.085        1.01e+07 ga
         H9H-HA           8.079           5.087        8.09e+07 ga
        H9H-HB2           8.067           3.532        2.85e+07 ga
     H9H-S10HB2           8.051           4.101        4.26e+07 ga
    H9HE1-K8HB2           7.133           1.563        1.32e+08 ga
    H9HE1-K8HB3           7.134           1.512        4.44e+08 ga
   H9HE1-Q12HB3           7.133           2.207        1.61e+07 ga
      S10H-H9HA           9.946           5.085        2.14e+07 ga
        S10H-HA           9.947           4.792        3.56e+07 ga
       S10H-HB2           9.947           4.118        4.07e+07 ga
     Q12H-H9HB2           7.448           3.527        2.97e+07 ga
     Q12H-H9HB3           7.446           3.023        4.33e+07 ga
    Q12H-G11HA2           7.449           4.003        1.78e+07 ga
    Q12H-G11HA3           7.447           3.893        6.05e+07 ga
        Q12H-HA           7.454           4.235        1.20e+08 ga
       Q12H-HB2           7.448           2.373        2.60e+08 ga
       Q12H-HB3           7.448           2.206        3.80e+08 ga
    Q12H-C13HB3           7.447           2.591        1.95e+06 ga
      Q12H-L14H           7.447           7.068        2.83e+07 ga
    Q12HE21-HB2           7.797           2.372        3.93e+07 ga
    Q12HE21-HB3           7.798           2.205        1.17e+08 ga
   Q12HE21-HE22           7.798           7.048        1.08e+09 ga
    Q12HE21-HG#           7.798           2.503        1.58e+08 ga
  Q12HE22-K8HB2           7.050           1.561        5.62e+07 ga
  Q12HE22-K8HB3           7.050           1.507        3.12e+06 ga
  Q12HE22-K8HG2           7.051           1.329        3.66e+05 ga
    Q12HE22-HB2           7.050           2.361        3.69e+06 ga
    Q12HE22-HG#           7.048           2.503        8.12e+07 ga
      C13H-Q12H           8.039           7.447        2.29e+08 ga
     C13H-Q12HA           8.039           4.240        7.50e+07 ga
    C13H-Q12HB2           8.048           2.370        4.22e+07 ga
    C13H-Q12HB3           8.051           2.213        1.03e+08 ga
    C13H-Q12HG#           8.038           2.502        1.75e+07 ga
        C13H-HA           8.047           4.708        9.10e+07 ga
       C13H-HB2           8.041           3.047        1.27e+08 ga
       C13H-HB3           8.040           2.592        2.67e+08 ga
      C13H-L14H           8.040           7.070        3.13e+08 ga
     C13H-L14HA           8.050           4.132        3.38e+07 ga
   C13H-L14HD11           8.050           1.012        7.56e+06 ga
   C13H-L14HD21           8.049           0.873        3.55e+07 ga
    L14H-G11HA3           7.071           3.892        8.69e+06 ga
     L14H-Q12HA           7.071           4.229        2.58e+07 ga
     L14H-C13HA           7.070           4.708        4.44e+07 ga
    L14H-C13HB2           7.069           3.046        2.49e+07 ga
    L14H-C13HB3           7.070           2.592        3.74e+07 ga
        L14H-HA           7.070           4.142        1.51e+08 ga
       L14H-HB2           7.070           1.806        3.01e+08 ga
      L14H-HD11           7.069           1.010        3.95e+07 ga
      L14H-HD21           7.070           0.874        4.13e+07 ga
    L14H-P16HD2           7.070           3.623        2.28e+07 ga
    L14H-P16HD3           7.071           3.535        4.42e+07 ga
      K15H-C13H           9.043           8.046        1.87e+07 ga
     K15H-C13HA           9.046           4.706        2.55e+07 ga
      K15H-L14H           9.046           7.069        1.17e+08 ga
     K15H-L14HA           9.046           4.142        4.06e+07 ga
    K15H-L14HB2           9.046           1.811        2.42e+08 ga
    K15H-L14HB3           9.046           1.684        2.80e+08 ga
   K15H-L14HD11           9.046           1.010        1.73e+07 ga
   K15H-L14HD21           9.045           0.873        1.83e+07 ga
        K15H-HA           9.046           4.207        1.84e+08 ga
       K15H-HB2           9.046           1.885        3.96e+08 ga
       K15H-HG2           9.047           1.369        5.52e+07 ga
       K15H-HG3           9.047           1.544        1.15e+08 ga
    K15H-P16HD2           9.046           3.624        2.57e+08 ga
    K15H-P16HD3           9.047           3.536        2.48e+08 ga
    K15H-P16HG2           9.046           2.287        4.68e+07 ga
    K15H-P16HG3           9.047           2.073        3.56e+07 ga
      K15H-C17H           9.044           7.953        2.41e+07 ga
      K15H-K18H           9.043           7.830        1.80e+07 ga
    C17H-I3HD11           7.954           0.598        5.58e+07 ga
    C17H-I3HG21           7.953           0.757        5.75e+06 ga
    C17H-V5HG11           7.955           0.906        1.45e+07 ga
    C17H-V5HG21           7.954           0.832        6.14e+06 ga
     C17H-C13HA           7.955           4.707        3.32e+07 ga
      C17H-L14H           7.957           7.068        1.35e+07 ga
     C17H-L14HA           7.951           4.140        4.63e+07 ga
    C17H-K15HB2           7.955           1.884        5.13e+07 ga
     C17H-P16HA           7.955           4.199        6.12e+07 ga
    C17H-P16HB#           7.955           1.668        1.62e+08 ga
    C17H-P16HD2           7.955           3.623        4.77e+07 ga
    C17H-P16HD3           7.955           3.536        9.61e+07 ga
    C17H-P16HG3           7.954           2.072        3.65e+07 ga
        C17H-HA           7.954           4.411        1.42e+08 ga
       C17H-HB2           7.954           3.049        2.90e+08 ga
       C17H-HB3           7.955           2.290        3.13e+08 ga
      C17H-K18H           7.955           7.827        2.09e+08 ga
     K18H-K15HA           7.828           4.205        9.35e+07 ga
    K18H-P16HD3           7.829           3.532        7.98e+05 ga
     K18H-C17HA           7.828           4.413        5.14e+07 ga
    K18H-C17HB2           7.828           3.047        8.94e+07 ga
    K18H-C17HB3           7.829           2.299        7.23e+07 ga
        K18H-HA           7.828           4.266        1.71e+08 ga
       K18H-HB2           7.828           1.931        2.04e+08 ga
       K18H-HB3           7.829           1.886        3.45e+08 ga
       K18H-HD#           7.828           1.655        4.04e+07 ga
       K18H-HG2           7.829           1.537        8.43e+07 ga
       K18H-HG3           7.828           1.391        4.32e+07 ga
      K18H-A20H           7.828           7.336        2.11e+07 ga
    K18H-A20HB1           7.829           1.477        1.17e+07 ga
     K19H-P16HA           8.500           4.199        1.11e+08 ga
      K19H-C17H           8.497           7.944        5.68e+07 ga
      K19H-K18H           8.498           7.827        1.59e+08 ga
     K19H-K18HA           8.499           4.267        4.25e+07 ga
    K19H-K18HG3           8.498           1.389        1.57e+08 ga
        K19H-HA           8.498           4.021        1.54e+08 ga
       K19H-HB2           8.499           1.897        4.70e+08 ga
       K19H-HG2           8.499           1.526        2.52e+08 ga
      K19H-A20H           8.499           7.338        1.60e+08 ga
    K19H-A20HB1           8.499           1.479        8.17e+07 ga
    A20H-I3HD11           7.336           0.598        8.42e+06 ga
     A20H-P16HA           7.343           4.200        1.00e+07 ga
     A20H-K18HA           7.344           4.267        2.04e+07 ga
     A20H-K18G3           7.315           1.391        6.50e+07 ga
     A20H-K19HA           7.343           4.021        4.55e+07 ga
    A20H-K19HB2           7.337           1.897        1.42e+08 ga
    A20H-K19HB3           7.337           1.830        9.09e+07 ga
        A20H-HA           7.342           4.400        2.27e+08 ga
       A20H-HB1           7.337           1.476        4.98e+08 ga
     G21H-K18HA           7.926           4.266        5.58e+07 ga
    G21H-K18HB3           7.927           1.883        7.78e+06 ga
      G21H-A20H           7.925           7.338        2.07e+08 ga
     G21H-A20HA           7.926           4.399        1.01e+08 ga
    G21H-A20HB1           7.925           1.476        1.12e+08 ga
       G21H-HA2           7.925           4.125        9.86e+07 ga
       G21H-HA3           7.925           3.825        5.21e+08 ga
     M22H-K18HA           8.050           4.265        7.50e+07 ga
      M22H-A20H           8.050           7.337        2.37e+07 ga
     M22H-A20HA           8.064           4.408        8.87e+07 ga
    M22H-A20HB1           8.065           1.478        1.61e+08 ga
      M22H-G21H           8.050           7.925        5.20e+08 ga
        M22H-HA           8.051           4.526        1.03e+08 ga
       M22H-HB2           8.050           2.065        7.42e+07 ga
       M22H-HB3           8.063           1.682        4.66e+08 ga
       M22H-HG2           8.050           2.437        8.64e+07 ga
     R23H-M22HA           8.487           4.524        1.84e+08 ga
    R23H-M22HB2           8.487           2.067        3.47e+08 ga
    R23H-M22HG2           8.486           2.438        7.47e+07 ga
    R23H-M22HG3           8.487           2.237        3.59e+07 ga
        R23H-HA           8.494           4.432        1.36e+08 ga
       R23H-HB3           8.487           1.211        8.73e+07 ga
       R23H-HG2           8.488           1.137        8.20e+07 ga
      R23H-F24H           8.487           8.164        6.77e+07 ga
     R23H-F24HA           8.487           4.321        3.45e+07 ga
    R23H-C34HB3           8.486           2.700        8.36e+06 ga
     R23H-T35HB           8.487           3.846        6.32e+07 ga
    R23H-P36HB2           8.487           2.311        2.67e+07 ga
    R23HH2#-HB2           6.811           1.280        4.12e+07 ga
    R23HH2#-HB3           6.812           1.213        3.75e+07 ga
    R23HH2#-HD2           6.810           2.788        8.90e+07 ga
    R23HH2#-HD3           6.810           2.736        7.41e+07 ga
R23HH2#-T35HG21           6.811           1.392        3.97e+07 ga
  R23HH2#-K37HA           6.810           3.811        7.30e+07 ga
   F24H-L14HD21           8.163           0.874        1.98e+07 ga
    F24H-M22HB2           8.168           2.066        2.06e+06 ga
     F24H-R23HA           8.166           4.432        2.90e+08 ga
    F24H-R23HB2           8.165           1.282        1.99e+08 ga
    F24H-R23HB3           8.165           1.215        1.62e+08 ga
    F24H-R23HD2           8.163           2.790        3.78e+06 ga
    F24H-R23HD3           8.169           2.737        3.94e+06 ga
    F24H-R23HG2           8.166           1.137        1.02e+08 ga
    F24H-R23HG3           8.165           0.973        6.15e+07 ga
        F24H-HA           8.164           4.329        3.90e+08 ga
       F24H-HB2           8.162           3.269        7.02e+07 ga
       F24H-HB3           8.165           3.153        6.21e+07 ga
       F24H-HE1           8.166           7.155        9.38e+07 ga
       F24H-HE2           8.162           7.311        9.20e+05 ga
     F24H-T35HB           8.166           3.845        2.73e+07 ga
   F24H-T35HG21           8.165           1.391        3.97e+06 ga
  F24HE1-R23HB2           7.149           1.280        5.20e+07 ga
  F24HE1-R23HB3           7.150           1.216        1.11e+08 ga
  F24HE1-R23HD3           7.160           2.736        1.50e+07 ga
  F24HE1-R23HG2           7.150           1.145        3.61e+07 ga
  F24HE1-R23HG3           7.147           0.969        7.23e+07 ga
   F24HE1-T35HB           7.162           3.847        2.05e+08 ga
 F24HE1-T35HG21           7.150           1.392        3.48e+08 ga
  F24HE2-R23HB2           7.314           1.282        1.88e+07 ga
  F24HE2-R23HB3           7.314           1.212        2.89e+07 ga
  F24HE2-R23HD2           7.316           2.787        1.20e+07 ga
  F24HE2-R23HD3           7.317           2.739        2.76e+07 ga
  F24HE2-R23HG2           7.314           1.130        4.25e+07 ga
  F24HE2-R23HG3           7.317           0.976        6.95e+07 ga
     F24HE2-HB2           7.314           3.272        4.63e+07 ga
    G25H-F24HB2           8.050           3.272        4.01e+08 ga
    G25H-F24HB3           8.050           3.153        3.77e+08 ga
       G25H-HA2           8.049           3.898        2.14e+08 ga
    K26H-G25HA2           8.987           3.904        2.43e+08 ga
       K26H-HB#           8.987           1.720        1.74e+08 ga
       K26H-HG3           8.989           1.344        6.15e+07 ga
      K26H-C27H           8.987           8.767        3.21e+07 ga
     K26H-C32HA           8.994           4.921        3.01e+07 ga
    K26H-D33HB2           8.986           2.641        2.00e+07 ga
    C27H-S10HB2           8.761           4.117        1.33e+08 ga
    C27H-S10HB3           8.761           3.961        1.86e+08 ga
     C27H-K26HA           8.761           4.590        4.07e+08 ga
    C27H-K26HB#           8.761           1.722        2.13e+08 ga
    C27H-K26HG2           8.772           1.376        1.54e+08 ga
        C27H-HA           8.761           4.760        6.80e+07 ga
       C27H-HB2           8.768           2.851        1.91e+08 ga
       C27H-HB3           8.761           2.244        1.78e+08 ga
   C27H-I28HD11           8.769           0.756        3.24e+07 ga
     I28H-C27HA           8.844           4.760        3.78e+08 ga
    I28H-C27HB2           8.844           2.864        9.07e+07 ga
    I28H-C27HB3           8.828           2.242        4.97e+07 ga
        I28H-HA           8.829           4.300        1.09e+08 ga
        I28H-HB           8.829           1.742        2.47e+08 ga
      I28H-HG12           8.829           1.388        1.10e+08 ga
      I28H-HG13           8.830           0.969        5.06e+07 ga
      I28H-HG21           8.835           0.826        9.94e+07 ga
      I28H-G30H           8.845           8.207        3.46e+06 ga
      I28H-K31H           8.829           7.712        1.83e+08 ga
     I28H-C32HA           8.829           4.921        1.08e+08 ga
    I28H-D33HB3           8.829           2.360        1.07e+07 ga
      N29H-I28H           9.419           8.835        2.55e+07 ga
     N29H-I28HA           9.419           4.305        9.68e+08 ga
     N29H-I28HB           9.420           1.741        4.71e+07 ga
   N29H-I28HD11           9.419           0.755        4.97e+07 ga
   N29H-I28HG12           9.418           1.388        4.70e+07 ga
   N29H-I28HG13           9.417           0.970        4.71e+07 ga
   N29H-I28HG21           9.419           0.822        1.64e+08 ga
       N29H-HB2           9.419           3.036        1.05e+08 ga
       N29H-HB3           9.419           2.736        7.98e+07 ga
      N29H-HD21           9.413           7.641        4.56e+06 ga
      N29H-G30H           9.419           8.206        1.06e+08 ga
      N29H-K31H           9.420           7.712        1.69e+07 ga
N29HD21-I28HG21           7.641           0.825        4.94e+07 ga
    N29HD21-HB2           7.640           3.034        3.01e+07 ga
    N29HD21-HB3           7.641           2.733        1.06e+08 ga
N29HD22-I28HG21           6.896           0.821        4.10e+07 ga
    N29HD22-HB3           6.897           2.735        4.22e+07 ga
     G30H-N29HA           8.207           4.308        2.30e+08 ga
   G30H-I28HG21           8.207           0.825        6.37e+05 ga
    G30H-N29HB2           8.207           3.036        5.32e+06 ga
    G30H-N29HB3           8.208           2.742        2.55e+06 ga
       G30H-HA2           8.208           4.031        5.91e+08 ga
      G30H-K31H           8.207           7.712        1.35e+08 ga
     K31H-C27HA           7.708           4.763        5.95e+07 ga
     K31H-I28HA           7.720           4.305        6.31e+07 ga
   K31H-I28HG21           7.705           0.825        1.07e+08 ga
    K31H-N29HB3           7.707           2.741        3.49e+06 ga
    K31H-G30HA2           7.706           4.029        2.08e+08 ga
        K31H-HA           7.708           5.287        2.40e+08 ga
       K31H-HB2           7.707           1.933        7.63e+07 ga
       K31H-HB3           7.706           1.733        2.04e+08 ga
       K31H-HG3           7.707           1.368        4.25e+07 ga
    C32H-V5HG11           8.297           0.903        6.98e+06 ga
     C32H-K31HA           8.302           5.284        1.96e+08 ga
        C32H-HA           8.303           4.920        3.54e+07 ga
       C32H-HB2           8.302           2.614        3.65e+07 ga
       C32H-HB3           8.295           2.435        1.32e+08 ga
      D33H-C7HA           9.457           4.611        1.56e+07 ga
     D33H-C27HA           9.457           4.757        7.90e+07 ga
      D33H-I28H           9.457           8.838        4.21e+07 ga
   D33H-I28HD11           9.456           0.759        3.91e+07 ga
   D33H-I28HG12           9.459           1.387        5.45e+07 ga
   D33H-I28HG13           9.457           0.976        1.37e+07 ga
   D33H-I28HG21           9.456           0.828        1.41e+07 ga
    D33H-K31HB3           9.457           1.724        3.38e+07 ga
      D33H-C32H           9.468           8.298        3.55e+06 ga
     D33H-C32HA           9.457           4.921        4.51e+08 ga
    D33H-C32HB3           9.455           2.440        7.44e+07 ga
        D33H-HA           9.456           5.101        1.04e+08 ga
       D33H-HB2           9.457           2.640        4.88e+08 ga
       D33H-HB3           9.456           2.359        2.58e+08 ga
      C34H-V1HB           9.012           1.990        5.20e+07 ga
    C34H-V1HG11           9.013           1.057        7.36e+06 ga
    C34H-V1HG21           9.012           0.902        4.36e+07 ga
       C34H-I3H           9.013           8.101        3.00e+07 ga
    C34H-I3HD11           9.011           0.598        4.78e+06 ga
     C34H-D33HA           9.013           5.100        8.74e+08 ga
    C34H-D33HB3           9.013           2.358        1.01e+08 ga
        C34H-HA           9.012           5.199        1.30e+08 ga
       C34H-HB2           9.013           2.972        1.65e+08 ga
       C34H-HB3           9.013           2.701        3.20e+08 ga
      C34H-T35H           9.027           8.686        9.35e+07 ga
    T35H-M22HB2           8.682           2.065        5.65e+07 ga
    T35H-M22HB3           8.687           1.673        6.85e+07 ga
    T35H-M22HG3           8.686           2.243        7.92e+05 ga
      T35H-R23H           8.682           8.487        8.78e+07 ga
     T35H-R23HA           8.686           4.431        7.71e+05 ga
    T35H-R23HB2           8.682           1.284        4.17e+06 ga
    T35H-R23HB3           8.685           1.217        9.13e+05 ga
    T35H-R23HG3           8.690           0.972        2.40e+05 ga
      T35H-F24H           8.690           8.164        2.95e+07 ga
    T35H-F24HB2           8.682           3.271        3.00e+07 ga
    T35H-F24HB3           8.683           3.154        6.12e+07 ga
    T35H-F24HE1           8.692           7.155        2.97e+07 ga
      T35H-G25H           8.694           8.050        6.22e+07 ga
     T35H-C34HA           8.682           5.198        6.82e+08 ga
    T35H-C34HB2           8.682           2.973        2.30e+08 ga
    T35H-C34HB3           8.682           2.701        1.36e+08 ga
        T35H-HA           8.682           4.893        7.98e+07 ga
        T35H-HB           8.682           3.847        5.18e+08 ga
      T35H-HG21           8.683           1.392        1.32e+07 ga
    T35H-P36HB2           8.695           2.301        8.27e+06 ga
    T35H-P36HD2           8.681           3.966        2.05e+07 ga
     K37H-M22HA           8.288           4.524        4.66e+07 ga
   K37H-T35HG21           8.290           1.391        3.31e+07 ga
     K37H-P36HA           8.289           4.320        3.62e+08 ga
    K37H-P36HB2           8.287           2.305        8.89e+07 ga
    K37H-P36HB3           8.287           2.073        5.26e+07 ga
        K37H-HA           8.283           3.813        1.57e+08 ga
       K37H-HB3           8.288           1.678        2.85e+08 ga
       K37H-HD#           8.282           1.574        5.90e+06 ga
       K37H-HG2           8.285           1.309        5.34e+07 ga
       K37H-HG3           8.288           1.270        1.13e+08 ga
        V1HA-HB           3.643           1.997        4.71e+06 ga
      V1HA-HG11           3.649           1.061        8.23e+06 ga
      V1HA-HG21           3.649           0.906        8.09e+06 ga
      V1HB-HG11           1.996           1.061        1.80e+07 ga
      V1HB-HG21           2.000           0.907        1.65e+07 ga
      I3HB-HD11           1.940           0.604        1.35e+07 ga
      I3HB-HG21           1.941           0.763        2.51e+07 ga
    V5HB-I3HD11           1.285           0.603        9.13e+06 ga
      V5HB-HG11           1.290           0.906        2.54e+07 ga
      V5HB-HG21           1.290           0.839        2.42e+07 ga
     Q12HG#-HB3           2.507           2.206        6.03e+07 ga
      L14HA-HB3           4.120           1.685        1.03e+07 ga
     L14HA-HD11           4.126           1.013        3.01e+06 ga
    L14HB2-HD11           1.811           1.014        8.90e+06 ga
    L14HB2-HD21           1.811           0.878        6.01e+06 ga
    L14HB3-HD11           1.687           1.015        2.25e+07 ga
  P16HB#-I3HD11           1.668           0.603        1.63e+07 ga
  P16HD2-K15HB2           3.626           1.891        1.26e+07 ga
     P16HD2-HB#           3.627           1.680        3.20e+06 ga
     P16HD2-HG2           3.629           2.287        7.01e+06 ga
     P16HD2-HG3           3.626           2.073        7.70e+06 ga
  P16HD3-K15HB2           3.538           1.895        7.27e+06 ga
  P16HD3-K15HB3           3.539           1.858        7.83e+06 ga
     P16HD3-HB#           3.540           1.674        4.01e+06 ga
     P16HD3-HG2           3.541           2.288        1.06e+07 ga
     P16HD3-HG3           3.537           2.074        7.05e+06 ga
  P16HG2-I3HD11           2.283           0.602        1.08e+07 ga
    P16HG2-V5HB           2.287           1.286        1.97e+06 ga
  P16HG2-V5HG11           2.285           0.906        1.54e+07 ga
  P16HG2-V5HG21           2.280           0.838        1.07e+07 ga
     P16HG2-HG3           2.292           2.074        6.67e+07 ga
    P16HG3-V5HB           2.073           1.289        2.83e+06 ga
  P16HG3-V5HG11           2.073           0.905        8.22e+06 ga
  P16HG3-V5HG21           2.073           0.840        3.00e+06 ga
      K19HA-HB2           4.020           1.907        5.77e+06 ga
      K19HA-HB3           4.019           1.830        9.28e+06 ga
  A20HB1-I3HG21           1.479           0.763        1.07e+07 ga
  M22HB2-A20HB1           2.065           1.477        2.10e+06 ga
     M22HB2-HB3           2.070           1.681        4.17e+07 ga
  M22HG2-A20HB1           2.442           1.479        2.41e+06 ga
     M22HG2-HB2           2.441           2.071        1.03e+07 ga
     M22HG2-HB3           2.440           1.685        9.11e+06 ga
  M22HG3-A20HB1           2.243           1.480        3.56e+06 ga
     R23HD2-HB2           2.796           1.286        5.69e+06 ga
     R23HD2-HB3           2.797           1.219        6.37e+06 ga
     R23HD2-HG2           2.796           1.139        7.41e+06 ga
     R23HD2-HG3           2.799           0.983        7.06e+06 ga
     R23HD3-HB2           2.746           1.286        5.90e+06 ga
     R23HD3-HB3           2.747           1.219        4.92e+06 ga
     R23HD3-HG2           2.746           1.139        5.66e+06 ga
     R23HD3-HG3           2.744           0.981        9.37e+06 ga
     R23HG2-HG3           1.140           0.982        5.07e+07 ga
 F24HB2-L14HD11           3.276           1.008        1.23e+06 ga
 F24HB2-L14HD21           3.271           0.877        1.27e+06 ga
 F24HB3-T35HG21           3.152           1.391        2.24e+06 ga
  G25HA2-C13HB2           3.896           3.049        3.60e+06 ga
 K26HD#-I28HD11           1.663           0.761        9.00e+06 ga
 K26HE#-I28HD11           2.915           0.761        1.31e+06 ga
     I28HB-HD11           1.744           0.760        1.80e+07 ga
     I28HB-HG13           1.743           0.974        1.05e+07 ga
     I28HB-HG21           1.749           0.826        2.78e+07 ga
   I28HB-D33HB3           1.747           2.362        4.23e+06 ga
   I28HG12-HD11           1.387           0.761        1.91e+07 ga
   I28HG12-HG13           1.393           0.974        5.24e+07 ga
   I28HG12-HG21           1.394           0.827        1.00e+07 ga
 N29HB3-I28HG21           2.736           0.828        6.45e+06 ga
     K31HB2-HG3           1.936           1.383        2.57e+07 ga
  C32HB3-I3HD11           2.436           0.603        9.13e+06 ga
  C32HB3-I3HG21           2.437           0.763        1.31e+06 ga
    C32HB3-V5HB           2.436           1.285        1.05e+07 ga
  C32HB3-V5HG11           2.437           0.909        3.69e+06 ga
  C32HB3-V5HG21           2.437           0.840        3.28e+06 ga
  33HB2-I28HG12           2.650           1.390        6.04e+06 ga
 D33HB3-I28HG12           2.361           1.390        3.60e+06 ga
 D33HB2-I28HD11           2.648           0.759        1.05e+07 ga
   D33HB3-I28HB           2.355           1.741        6.43e+06 ga
  C34HB3-V1HG21           2.703           0.906        3.07e+06 ga
  C34HB3-M22HB2           2.704           2.069        7.26e+06 ga
  C34HB3-M22HB3           2.706           1.684        7.30e+06 ga
   T35HB-F24HB2           3.850           3.273        6.61e+05 ga
   T35HB-F24HB3           3.851           3.154        2.56e+06 ga
     T35HB-HG21           3.844           1.391        2.16e+07 ga
  P36HB2-V1HG11           2.307           1.061        2.23e+06 ga
  P36HB3-V1HG11           2.080           1.062        3.88e+06 ga
  P36HD2-V1HG11           3.962           1.062        2.73e+06 ga
  S10HB3-C27HB3           3.961           2.251        7.74e+06 ga
 P36HD2-T35HG21           3.962           1.390        3.85e+06 ga
     P36HD2-HB3           3.961           2.080        4.32e+06 ga
     P36HD2-HG3           3.962           1.942        4.60e+06 ga
  P36HD3-V1HG11           3.833           1.062        1.64e+06 ga
     P36HD3-HB2           3.830           2.306        1.17e+06 ga
     P36HD3-HB3           3.832           2.080        7.35e+06 ga
     P36HD3-HG3           3.831           1.952        1.10e+07 ga
!phi constraint of I3
assign (resid 2 and name c)  (resid 3 and name n)
       (resid 3 and name ca) (resid 3 and name c)  1.0 -120 40 2
       
!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 M22
assign (resid 21 and name c)  (resid 22 and name n)
       (resid 22 and name ca) (resid 22 and name c)  1.0 -120 40 2
       
!phi constraint of R23
assign (resid 22 and name c)  (resid 23 and name n)
       (resid 23 and name ca) (resid 23 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 -65 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   5 and name HN  ) ( residue   3  and name O )  1.80  0.00  0.50
assign ( residue   5 and name N  )  ( residue   3  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   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   17  and name O )  1.80  0.00  0.50
assign ( residue   20 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   31 and name HN  ) ( residue   28  and name O )  1.80  0.00  0.50
assign ( residue   31 and name N  )  ( residue   28  and name O )  2.80  0.00  0.50

assign ( residue   32 and name HN  ) ( residue   5  and name O )  1.80  0.00  0.50
assign ( residue   32 and name N  )  ( residue   5  and name O )  2.80  0.00  0.50

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

assign ( residue   35 and name HN  ) ( residue   24  and name O )  1.80  0.00  0.50
assign ( residue   35 and name N  )  ( residue   24  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  -3.422  -8.315  -3.729
    2    H2   VAL   1           H2       VAL   1  -4.606  -7.641  -2.730
    3    H3   VAL   1           H3       VAL   1  -2.996  -7.134  -2.589
    4    HA   VAL   1           HA       VAL   1  -4.704  -6.755  -4.981
    5    HB   VAL   1           HB       VAL   1  -3.898  -4.791  -2.835
    6   HG11  VAL   1          HG11      VAL   1  -3.703  -3.761  -5.047
    7   HG12  VAL   1          HG12      VAL   1  -5.080  -3.104  -4.162
    8   HG13  VAL   1          HG13      VAL   1  -5.339  -4.289  -5.442
    9   HG21  VAL   1          HG21      VAL   1  -6.349  -4.505  -2.631
   10   HG22  VAL   1          HG22      VAL   1  -5.801  -6.124  -2.210
   11   HG23  VAL   1          HG23      VAL   1  -6.568  -5.828  -3.770
   12    H    GLY   2           H        GLY   2  -1.828  -5.464  -3.300
   13    HA2  GLY   2           HA2      GLY   2   0.300  -5.104  -4.101
   14    HA3  GLY   2           HA3      GLY   2  -0.160  -5.933  -5.578
   15    H    ILE   3           H        ILE   3   0.953  -3.121  -4.459
   16    HA   ILE   3           HA       ILE   3  -0.131  -1.677  -6.780
   17    HB   ILE   3           HB       ILE   3   0.329   0.447  -5.510
   18   HG12  ILE   3          HG12      ILE   3   0.494  -1.440  -3.148
   19   HG13  ILE   3          HG13      ILE   3   1.830  -0.501  -3.805
   20   HG21  ILE   3          HG21      ILE   3  -1.734   0.294  -4.120
   21   HG22  ILE   3          HG22      ILE   3  -1.771  -1.437  -4.456
   22   HG23  ILE   3          HG23      ILE   3  -1.932  -0.280  -5.777
   23   HD11  ILE   3          HD11      ILE   3   0.817   1.542  -3.118
   24   HD12  ILE   3          HD12      ILE   3   0.808   0.439  -1.745
   25   HD13  ILE   3          HD13      ILE   3  -0.671   0.715  -2.664
   26    H    ASN   4           H        ASN   4   1.425  -0.045  -7.612
   27    HA   ASN   4           HA       ASN   4   3.993  -1.333  -7.894
   28    HB2  ASN   4           HB2      ASN   4   2.727  -0.346  -9.828
   29    HB3  ASN   4           HB3      ASN   4   3.036   1.248  -9.154
   30   HD21  ASN   4          HD21      ASN   4   5.061   2.150  -9.355
   31   HD22  ASN   4          HD22      ASN   4   6.311   1.457 -10.333
   32    H    VAL   5           H        VAL   5   4.222  -0.875  -5.484
   33    HA   VAL   5           HA       VAL   5   5.883   1.515  -5.168
   34    HB   VAL   5           HB       VAL   5   3.878   0.666  -3.079
   35   HG11  VAL   5          HG11      VAL   5   4.411   2.740  -1.968
   36   HG12  VAL   5          HG12      VAL   5   5.534   3.170  -3.258
   37   HG13  VAL   5          HG13      VAL   5   5.880   1.792  -2.212
   38   HG21  VAL   5          HG21      VAL   5   2.656   2.689  -3.614
   39   HG22  VAL   5          HG22      VAL   5   2.656   1.542  -4.950
   40   HG23  VAL   5          HG23      VAL   5   3.704   2.963  -5.000
   41    H    LYS   6           H        LYS   6   7.257   1.357  -3.292
   42    HA   LYS   6           HA       LYS   6   7.987  -1.438  -2.717
   43    HB2  LYS   6           HB2      LYS   6   9.761   1.004  -2.903
   44    HB3  LYS   6           HB3      LYS   6  10.306  -0.598  -2.424
   45    HG2  LYS   6           HG2      LYS   6   9.738  -1.482  -4.599
   46    HG3  LYS   6           HG3      LYS   6   9.080   0.080  -5.088
   47    HD2  LYS   6           HD2      LYS   6  11.292   1.088  -4.850
   48    HD3  LYS   6           HD3      LYS   6  11.949  -0.470  -4.344
   49    HE2  LYS   6           HE2      LYS   6  11.411  -1.435  -6.496
   50    HE3  LYS   6           HE3      LYS   6  10.640   0.067  -7.005
   51    HZ1  LYS   6           HZ1      LYS   6  13.514  -0.238  -6.332
   52    HZ2  LYS   6           HZ2      LYS   6  12.766   1.179  -6.863
   53    HZ3  LYS   6           HZ3      LYS   6  12.880  -0.154  -7.897
   54    H    CYS   7           H        CYS   7   7.962  -2.055  -0.671
   55    HA   CYS   7           HA       CYS   7   6.962  -0.382   1.370
   56    HB2  CYS   7           HB2      CYS   7   6.486  -2.656   1.652
   57    HB3  CYS   7           HB3      CYS   7   8.152  -3.141   1.355
   58    H    LYS   8           H        LYS   8   8.342   1.420   1.688
   59    HA   LYS   8           HA       LYS   8  11.040   0.891   2.629
   60    HB2  LYS   8           HB2      LYS   8   9.470   3.468   2.418
   61    HB3  LYS   8           HB3      LYS   8  11.146   3.356   2.929
   62    HG2  LYS   8           HG2      LYS   8  10.125   2.486   0.234
   63    HG3  LYS   8           HG3      LYS   8  10.857   4.055   0.574
   64    HD2  LYS   8           HD2      LYS   8  12.900   2.872   1.342
   65    HD3  LYS   8           HD3      LYS   8  12.164   1.351   0.838
   66    HE2  LYS   8           HE2      LYS   8  12.046   2.137  -1.451
   67    HE3  LYS   8           HE3      LYS   8  12.689   3.705  -0.969
   68    HZ1  LYS   8           HZ1      LYS   8  14.733   2.566  -0.268
   69    HZ2  LYS   8           HZ2      LYS   8  14.423   2.377  -1.920
   70    HZ3  LYS   8           HZ3      LYS   8  14.113   1.103  -0.853
   71    H    HIS   9           H        HIS   9   7.865   1.681   3.818
   72    HA   HIS   9           HA       HIS   9   8.662   1.115   6.550
   73    HB2  HIS   9           HB2      HIS   9   7.236   3.702   5.866
   74    HB3  HIS   9           HB3      HIS   9   7.699   3.154   7.471
   75    HD1  HIS   9           HD1      HIS   9   9.019   4.793   4.412
   76    HD2  HIS   9           HD2      HIS   9  10.448   3.470   8.084
   77    HE1  HIS   9           HE1      HIS   9  11.347   5.694   4.587
   78    HE2  HIS   9           HE2      HIS   9  12.220   4.856   6.797
   79    H    SER  10           H        SER  10   7.025   0.061   7.603
   80    HA   SER  10           HA       SER  10   4.733  -0.672   6.072
   81    HB2  SER  10           HB2      SER  10   4.085  -1.905   8.175
   82    HB3  SER  10           HB3      SER  10   5.664  -2.316   7.506
   83    HG   SER  10           HG       SER  10   5.255  -0.437   9.600
   84    H    GLY  11           H        GLY  11   3.637   1.154   5.632
   85    HA2  GLY  11           HA2      GLY  11   1.497   2.087   6.852
   86    HA3  GLY  11           HA3      GLY  11   2.748   2.904   7.786
   87    H    GLN  12           H        GLN  12   4.516   2.969   5.431
   88    HA   GLN  12           HA       GLN  12   3.773   5.470   4.328
   89    HB2  GLN  12           HB2      GLN  12   6.100   4.868   4.481
   90    HB3  GLN  12           HB3      GLN  12   5.845   3.427   3.510
   91    HG2  GLN  12           HG2      GLN  12   5.305   4.850   1.586
   92    HG3  GLN  12           HG3      GLN  12   5.625   6.274   2.577
   93   HE21  GLN  12          HE21      GLN  12   7.720   6.788   3.128
   94   HE22  GLN  12          HE22      GLN  12   9.087   6.074   2.335
   95    H    CYS  13           H        CYS  13   3.269   2.163   3.408
   96    HA   CYS  13           HA       CYS  13   2.682   2.515   0.685
   97    HB2  CYS  13           HB2      CYS  13   1.626   0.403   2.573
   98    HB3  CYS  13           HB3      CYS  13   1.643   0.306   0.816
   99    H    LEU  14           H        LEU  14   0.956   3.496   3.423
  100    HA   LEU  14           HA       LEU  14  -1.705   3.317   2.473
  101    HB2  LEU  14           HB2      LEU  14  -0.291   4.752   4.628
  102    HB3  LEU  14           HB3      LEU  14  -1.792   5.467   4.104
  103    HG   LEU  14           HG       LEU  14  -2.067   4.035   6.075
  104   HD11  LEU  14          HD11      LEU  14  -3.367   3.116   3.541
  105   HD12  LEU  14          HD12      LEU  14  -3.963   4.322   4.680
  106   HD13  LEU  14          HD13      LEU  14  -3.897   2.622   5.147
  107   HD21  LEU  14          HD21      LEU  14  -1.354   1.727   4.279
  108   HD22  LEU  14          HD22      LEU  14  -1.762   1.673   5.996
  109   HD23  LEU  14          HD23      LEU  14  -0.254   2.424   5.470
  110    H    LYS  15           H        LYS  15   0.847   5.687   2.101
  111    HA   LYS  15           HA       LYS  15  -0.698   7.858   1.255
  112    HB2  LYS  15           HB2      LYS  15   2.177   7.227   0.582
  113    HB3  LYS  15           HB3      LYS  15   1.406   8.793   0.382
  114    HG2  LYS  15           HG2      LYS  15   1.087   8.985   2.764
  115    HG3  LYS  15           HG3      LYS  15   1.727   7.359   3.011
  116    HD2  LYS  15           HD2      LYS  15   3.889   8.092   2.099
  117    HD3  LYS  15           HD3      LYS  15   3.242   9.721   1.901
  118    HE2  LYS  15           HE2      LYS  15   2.863   9.859   4.313
  119    HE3  LYS  15           HE3      LYS  15   3.510   8.232   4.510
  120    HZ1  LYS  15           HZ1      LYS  15   5.163   9.895   5.028
  121    HZ2  LYS  15           HZ2      LYS  15   5.006  10.587   3.495
  122    HZ3  LYS  15           HZ3      LYS  15   5.632   9.023   3.657
  123    HA   PRO  16           HA       PRO  16  -0.180   6.482  -3.278
  124    HB2  PRO  16           HB2      PRO  16   0.890   4.091  -3.883
  125    HB3  PRO  16           HB3      PRO  16   1.887   5.531  -3.648
  126    HG2  PRO  16           HG2      PRO  16   1.342   3.272  -1.766
  127    HG3  PRO  16           HG3      PRO  16   2.864   4.124  -2.086
  128    HD2  PRO  16           HD2      PRO  16   1.258   4.627   0.072
  129    HD3  PRO  16           HD3      PRO  16   2.358   5.818  -0.646
  130    H    CYS  17           H        CYS  17  -1.140   4.351  -0.768
  131    HA   CYS  17           HA       CYS  17  -2.697   2.566  -2.371
  132    HB2  CYS  17           HB2      CYS  17  -1.719   2.058  -0.078
  133    HB3  CYS  17           HB3      CYS  17  -3.032   3.026   0.588
  134    H    LYS  18           H        LYS  18  -3.353   5.522  -0.558
  135    HA   LYS  18           HA       LYS  18  -6.163   5.455  -0.849
  136    HB2  LYS  18           HB2      LYS  18  -6.102   7.835  -0.353
  137    HB3  LYS  18           HB3      LYS  18  -5.024   6.965   0.725
  138    HG2  LYS  18           HG2      LYS  18  -3.111   7.744  -0.384
  139    HG3  LYS  18           HG3      LYS  18  -4.045   8.289  -1.778
  140    HD2  LYS  18           HD2      LYS  18  -3.324  10.172  -0.386
  141    HD3  LYS  18           HD3      LYS  18  -5.080  10.028  -0.405
  142    HE2  LYS  18           HE2      LYS  18  -4.248  10.508   1.839
  143    HE3  LYS  18           HE3      LYS  18  -5.031   8.931   1.766
  144    HZ1  LYS  18           HZ1      LYS  18  -2.962   8.889   3.033
  145    HZ2  LYS  18           HZ2      LYS  18  -2.098   9.382   1.668
  146    HZ3  LYS  18           HZ3      LYS  18  -2.879   7.882   1.679
  147    H    LYS  19           H        LYS  19  -3.604   6.070  -3.040
  148    HA   LYS  19           HA       LYS  19  -5.249   7.485  -4.965
  149    HB2  LYS  19           HB2      LYS  19  -2.461   6.334  -5.241
  150    HB3  LYS  19           HB3      LYS  19  -3.258   7.369  -6.416
  151    HG2  LYS  19           HG2      LYS  19  -2.438   8.132  -3.621
  152    HG3  LYS  19           HG3      LYS  19  -1.672   8.645  -5.125
  153    HD2  LYS  19           HD2      LYS  19  -3.800   9.733  -5.782
  154    HD3  LYS  19           HD3      LYS  19  -4.467   9.303  -4.206
  155    HE2  LYS  19           HE2      LYS  19  -3.716  11.576  -4.117
  156    HE3  LYS  19           HE3      LYS  19  -2.628  10.592  -3.142
  157    HZ1  LYS  19           HZ1      LYS  19  -1.422  12.172  -4.515
  158    HZ2  LYS  19           HZ2      LYS  19  -2.100  11.512  -5.913
  159    HZ3  LYS  19           HZ3      LYS  19  -1.051  10.586  -4.967
  160    H    ALA  20           H        ALA  20  -4.421   4.336  -4.057
  161    HA   ALA  20           HA       ALA  20  -5.144   3.053  -6.541
  162    HB1  ALA  20           HB1      ALA  20  -4.663   1.912  -3.785
  163    HB2  ALA  20           HB2      ALA  20  -3.480   2.018  -5.093
  164    HB3  ALA  20           HB3      ALA  20  -4.887   0.966  -5.260
  165    H    GLY  21           H        GLY  21  -6.643   4.052  -3.592
  166    HA2  GLY  21           HA2      GLY  21  -8.952   4.389  -3.321
  167    HA3  GLY  21           HA3      GLY  21  -9.249   3.293  -4.663
  168    H    MET  22           H        MET  22  -6.994   2.243  -2.313
  169    HA   MET  22           HA       MET  22  -8.931   0.215  -1.477
  170    HB2  MET  22           HB2      MET  22  -5.915   0.257  -1.406
  171    HB3  MET  22           HB3      MET  22  -6.880  -1.005  -0.661
  172    HG2  MET  22           HG2      MET  22  -6.857  -0.287  -3.580
  173    HG3  MET  22           HG3      MET  22  -6.087  -1.691  -2.840
  174    HE1  MET  22           HE1      MET  22  -7.390  -3.189  -4.703
  175    HE2  MET  22           HE2      MET  22  -8.163  -1.730  -5.322
  176    HE3  MET  22           HE3      MET  22  -9.140  -3.139  -4.912
  177    H    ARG  23           H        ARG  23  -8.209  -0.687   0.851
  178    HA   ARG  23           HA       ARG  23  -9.060   1.471   2.549
  179    HB2  ARG  23           HB2      ARG  23  -9.934  -0.894   2.647
  180    HB3  ARG  23           HB3      ARG  23  -8.396  -1.360   3.345
  181    HG2  ARG  23           HG2      ARG  23  -8.832  -0.341   5.339
  182    HG3  ARG  23           HG3      ARG  23  -9.935   0.833   4.621
  183    HD2  ARG  23           HD2      ARG  23 -10.932  -1.041   6.076
  184    HD3  ARG  23           HD3      ARG  23 -11.695  -0.695   4.527
  185    HE   ARG  23           HE       ARG  23 -10.145  -2.628   3.750
  186   HH11  ARG  23          HH11      ARG  23 -11.816  -2.441   6.823
  187   HH12  ARG  23          HH12      ARG  23 -12.035  -4.158   6.944
  188   HH21  ARG  23          HH21      ARG  23 -10.454  -4.867   3.896
  189   HH22  ARG  23          HH22      ARG  23 -11.256  -5.538   5.285
  190    H    PHE  24           H        PHE  24  -6.493  -0.937   3.196
  191    HA   PHE  24           HA       PHE  24  -4.764   1.301   3.998
  192    HB2  PHE  24           HB2      PHE  24  -4.054  -1.216   5.285
  193    HB3  PHE  24           HB3      PHE  24  -4.257   0.381   5.994
  194    HD1  PHE  24           HD1      PHE  24  -5.899  -2.715   5.065
  195    HD2  PHE  24           HD2      PHE  24  -6.290   0.958   7.140
  196    HE1  PHE  24           HE1      PHE  24  -7.943  -3.549   6.095
  197    HE2  PHE  24           HE2      PHE  24  -8.342   0.130   8.223
  198    HZ   PHE  24           HZ       PHE  24  -9.174  -2.134   7.706
  199    H    GLY  25           H        GLY  25  -2.424   0.462   4.142
  200    HA2  GLY  25           HA2      GLY  25  -1.830  -1.326   1.894
  201    HA3  GLY  25           HA3      GLY  25  -1.060   0.249   2.002
  202    H    LYS  26           H        LYS  26  -0.942  -2.992   2.929
  203    HA   LYS  26           HA       LYS  26   0.810  -2.544   5.215
  204    HB2  LYS  26           HB2      LYS  26   0.691  -4.975   5.506
  205    HB3  LYS  26           HB3      LYS  26  -0.916  -4.270   5.402
  206    HG2  LYS  26           HG2      LYS  26  -1.037  -4.956   3.042
  207    HG3  LYS  26           HG3      LYS  26   0.545  -5.721   3.205
  208    HD2  LYS  26           HD2      LYS  26  -0.325  -7.231   4.883
  209    HD3  LYS  26           HD3      LYS  26  -1.896  -6.429   4.830
  210    HE2  LYS  26           HE2      LYS  26  -2.073  -7.061   2.437
  211    HE3  LYS  26           HE3      LYS  26  -0.567  -7.961   2.600
  212    HZ1  LYS  26           HZ1      LYS  26  -3.084  -8.493   4.080
  213    HZ2  LYS  26           HZ2      LYS  26  -1.637  -9.342   4.280
  214    HZ3  LYS  26           HZ3      LYS  26  -2.461  -9.417   2.808
  215    H    CYS  27           H        CYS  27   2.840  -3.804   5.330
  216    HA   CYS  27           HA       CYS  27   4.306  -3.497   2.858
  217    HB2  CYS  27           HB2      CYS  27   5.012  -3.835   5.712
  218    HB3  CYS  27           HB3      CYS  27   6.162  -4.459   4.534
  219    H    ILE  28           H        ILE  28   4.846  -5.018   1.526
  220    HA   ILE  28           HA       ILE  28   4.582  -7.821   2.357
  221    HB   ILE  28           HB       ILE  28   3.139  -6.503   0.382
  222   HG12  ILE  28          HG12      ILE  28   2.267  -8.697  -0.180
  223   HG13  ILE  28          HG13      ILE  28   3.655  -9.474   0.577
  224   HG21  ILE  28          HG21      ILE  28   5.227  -8.209  -0.965
  225   HG22  ILE  28          HG22      ILE  28   5.044  -6.458  -1.112
  226   HG23  ILE  28          HG23      ILE  28   3.788  -7.529  -1.736
  227   HD11  ILE  28          HD11      ILE  28   1.695  -7.731   2.059
  228   HD12  ILE  28          HD12      ILE  28   2.946  -8.772   2.744
  229   HD13  ILE  28          HD13      ILE  28   1.557  -9.486   1.927
  230    H    ASN  29           H        ASN  29   5.942  -9.195   0.617
  231    HA   ASN  29           HA       ASN  29   8.593  -8.914   1.120
  232    HB2  ASN  29           HB2      ASN  29   9.005 -10.361  -0.860
  233    HB3  ASN  29           HB3      ASN  29   7.701 -10.929   0.169
  234   HD21  ASN  29          HD21      ASN  29   5.583 -10.845  -0.571
  235   HD22  ASN  29          HD22      ASN  29   5.203 -10.640  -2.248
  236    H    GLY  30           H        GLY  30   9.184  -6.733   1.020
  237    HA2  GLY  30           HA2      GLY  30  10.464  -5.078   0.069
  238    HA3  GLY  30           HA3      GLY  30  10.479  -6.003  -1.421
  239    H    LYS  31           H        LYS  31   7.298  -5.802  -0.841
  240    HA   LYS  31           HA       LYS  31   7.106  -3.310  -2.412
  241    HB2  LYS  31           HB2      LYS  31   5.544  -5.865  -2.827
  242    HB3  LYS  31           HB3      LYS  31   5.277  -4.363  -3.697
  243    HG2  LYS  31           HG2      LYS  31   7.494  -4.494  -4.667
  244    HG3  LYS  31           HG3      LYS  31   7.824  -5.966  -3.751
  245    HD2  LYS  31           HD2      LYS  31   6.052  -7.131  -4.928
  246    HD3  LYS  31           HD3      LYS  31   5.626  -5.652  -5.794
  247    HE2  LYS  31           HE2      LYS  31   7.790  -5.629  -6.880
  248    HE3  LYS  31           HE3      LYS  31   8.297  -7.041  -5.956
  249    HZ1  LYS  31           HZ1      LYS  31   6.618  -8.349  -7.060
  250    HZ2  LYS  31           HZ2      LYS  31   7.603  -7.600  -8.212
  251    HZ3  LYS  31           HZ3      LYS  31   6.059  -6.993  -7.904
  252    H    CYS  32           H        CYS  32   4.677  -2.686  -2.593
  253    HA   CYS  32           HA       CYS  32   3.554  -2.715   0.122
  254    HB2  CYS  32           HB2      CYS  32   3.370  -0.759  -2.150
  255    HB3  CYS  32           HB3      CYS  32   2.260  -0.679  -0.797
  256    H    ASP  33           H        ASP  33   1.896  -4.019   0.399
  257    HA   ASP  33           HA       ASP  33   0.070  -4.464  -1.880
  258    HB2  ASP  33           HB2      ASP  33   1.081  -6.544  -1.174
  259    HB3  ASP  33           HB3      ASP  33   0.614  -6.250   0.498
  260    H    CYS  34           H        CYS  34  -1.948  -3.786  -1.721
  261    HA   CYS  34           HA       CYS  34  -2.737  -2.454   0.737
  262    HB2  CYS  34           HB2      CYS  34  -3.828  -2.401  -2.061
  263    HB3  CYS  34           HB3      CYS  34  -4.682  -1.667  -0.712
  264    H    THR  35           H        THR  35  -4.760  -2.725   1.709
  265    HA   THR  35           HA       THR  35  -5.977  -5.368   1.276
  266    HB   THR  35           HB       THR  35  -6.292  -3.448   3.573
  267    HG1  THR  35           HG1      THR  35  -4.749  -5.835   3.358
  268   HG21  THR  35          HG21      THR  35  -8.226  -4.915   3.257
  269   HG22  THR  35          HG22      THR  35  -7.351  -5.297   4.744
  270   HG23  THR  35          HG23      THR  35  -7.157  -6.322   3.321
  271    HA   PRO  36           HA       PRO  36  -9.342  -2.942  -0.418
  272    HB2  PRO  36           HB2      PRO  36 -10.815  -4.977  -1.319
  273    HB3  PRO  36           HB3      PRO  36  -9.316  -4.511  -2.124
  274    HG2  PRO  36           HG2      PRO  36  -9.841  -6.780  -0.253
  275    HG3  PRO  36           HG3      PRO  36  -8.829  -6.736  -1.708
  276    HD2  PRO  36           HD2      PRO  36  -7.886  -6.513   0.886
  277    HD3  PRO  36           HD3      PRO  36  -7.025  -5.948  -0.559
  278    H    LYS  37           H        LYS  37 -11.806  -3.112  -0.173
  279    HA   LYS  37           HA       LYS  37 -12.407  -3.593   2.622
  280    HB2  LYS  37           HB2      LYS  37 -14.605  -2.540   2.079
  281    HB3  LYS  37           HB3      LYS  37 -13.223  -1.509   1.749
  282    HG2  LYS  37           HG2      LYS  37 -13.392  -2.084  -0.636
  283    HG3  LYS  37           HG3      LYS  37 -14.816  -3.062  -0.280
  284    HD2  LYS  37           HD2      LYS  37 -15.962  -1.070   0.569
  285    HD3  LYS  37           HD3      LYS  37 -14.540  -0.095   0.191
  286    HE2  LYS  37           HE2      LYS  37 -16.251  -1.614  -1.774
  287    HE3  LYS  37           HE3      LYS  37 -16.213   0.134  -1.555
  288    HZ1  LYS  37           HZ1      LYS  37 -13.959  -1.553  -2.497
  289    HZ2  LYS  37           HZ2      LYS  37 -13.888   0.116  -2.255
  290    HZ3  LYS  37           HZ3      LYS  37 -14.893  -0.521  -3.452
  Start of MODEL    2
    1    H1   VAL   1           H1       VAL   1  -5.379  -8.262  -5.793
    2    H2   VAL   1           H2       VAL   1  -4.120  -8.499  -4.691
    3    H3   VAL   1           H3       VAL   1  -3.783  -8.359  -6.339
    4    HA   VAL   1           HA       VAL   1  -4.508  -6.090  -6.353
    5    HB   VAL   1           HB       VAL   1  -5.020  -4.934  -4.253
    6   HG11  VAL   1          HG11      VAL   1  -7.276  -5.748  -3.999
    7   HG12  VAL   1          HG12      VAL   1  -6.840  -7.290  -4.728
    8   HG13  VAL   1          HG13      VAL   1  -6.817  -5.818  -5.697
    9   HG21  VAL   1          HG21      VAL   1  -3.823  -6.506  -2.779
   10   HG22  VAL   1          HG22      VAL   1  -5.112  -7.685  -3.025
   11   HG23  VAL   1          HG23      VAL   1  -5.457  -6.152  -2.220
   12    H    GLY   2           H        GLY   2  -3.257  -4.247  -5.063
   13    HA2  GLY   2           HA2      GLY   2  -1.215  -4.042  -3.597
   14    HA3  GLY   2           HA3      GLY   2  -0.534  -5.301  -4.620
   15    H    ILE   3           H        ILE   3   0.386  -2.541  -4.149
   16    HA   ILE   3           HA       ILE   3   0.063  -1.454  -6.858
   17    HB   ILE   3           HB       ILE   3   0.797   0.729  -5.836
   18   HG12  ILE   3          HG12      ILE   3   0.245  -0.772  -3.268
   19   HG13  ILE   3          HG13      ILE   3   1.809  -0.168  -3.799
   20   HG21  ILE   3          HG21      ILE   3  -1.428   1.181  -4.805
   21   HG22  ILE   3          HG22      ILE   3  -1.778  -0.544  -4.931
   22   HG23  ILE   3          HG23      ILE   3  -1.502   0.410  -6.390
   23   HD11  ILE   3          HD11      ILE   3   1.077   2.093  -3.567
   24   HD12  ILE   3          HD12      ILE   3   0.724   1.226  -2.073
   25   HD13  ILE   3          HD13      ILE   3  -0.569   1.573  -3.219
   26    H    ASN   4           H        ASN   4   1.887  -0.490  -7.827
   27    HA   ASN   4           HA       ASN   4   4.258  -2.063  -7.416
   28    HB2  ASN   4           HB2      ASN   4   5.102  -0.704  -9.423
   29    HB3  ASN   4           HB3      ASN   4   3.747  -1.789  -9.685
   30   HD21  ASN   4          HD21      ASN   4   3.601   1.398  -8.159
   31   HD22  ASN   4          HD22      ASN   4   2.621   2.124  -9.383
   32    H    VAL   5           H        VAL   5   4.398  -1.038  -5.211
   33    HA   VAL   5           HA       VAL   5   6.255   1.244  -5.349
   34    HB   VAL   5           HB       VAL   5   4.194   0.817  -3.178
   35   HG11  VAL   5          HG11      VAL   5   4.886   2.916  -2.281
   36   HG12  VAL   5          HG12      VAL   5   5.988   3.186  -3.632
   37   HG13  VAL   5          HG13      VAL   5   6.314   1.898  -2.472
   38   HG21  VAL   5          HG21      VAL   5   3.013   2.726  -4.027
   39   HG22  VAL   5          HG22      VAL   5   3.179   1.530  -5.315
   40   HG23  VAL   5          HG23      VAL   5   4.219   2.955  -5.294
   41    H    LYS   6           H        LYS   6   8.079   0.994  -4.138
   42    HA   LYS   6           HA       LYS   6   8.596  -1.561  -2.926
   43    HB2  LYS   6           HB2      LYS   6  10.248   0.970  -3.026
   44    HB3  LYS   6           HB3      LYS   6  10.815  -0.566  -2.390
   45    HG2  LYS   6           HG2      LYS   6  10.565  -1.591  -4.573
   46    HG3  LYS   6           HG3      LYS   6   9.930  -0.083  -5.227
   47    HD2  LYS   6           HD2      LYS   6  12.620  -0.142  -3.915
   48    HD3  LYS   6           HD3      LYS   6  12.436  -0.692  -5.578
   49    HE2  LYS   6           HE2      LYS   6  13.088   1.612  -5.613
   50    HE3  LYS   6           HE3      LYS   6  11.409   1.505  -6.130
   51    HZ1  LYS   6           HZ1      LYS   6  12.274   2.225  -3.385
   52    HZ2  LYS   6           HZ2      LYS   6  10.694   2.266  -3.995
   53    HZ3  LYS   6           HZ3      LYS   6  11.853   3.341  -4.581
   54    H    CYS   7           H        CYS   7   7.835  -2.043  -0.971
   55    HA   CYS   7           HA       CYS   7   6.929  -0.011   0.817
   56    HB2  CYS   7           HB2      CYS   7   5.874  -2.278   0.642
   57    HB3  CYS   7           HB3      CYS   7   7.285  -2.932   1.475
   58    H    LYS   8           H        LYS   8   8.509   1.250   1.730
   59    HA   LYS   8           HA       LYS   8  10.722  -0.026   3.107
   60    HB2  LYS   8           HB2      LYS   8   9.826   2.863   2.962
   61    HB3  LYS   8           HB3      LYS   8  11.255   2.310   3.822
   62    HG2  LYS   8           HG2      LYS   8  12.272   1.580   1.768
   63    HG3  LYS   8           HG3      LYS   8  10.806   1.965   0.866
   64    HD2  LYS   8           HD2      LYS   8  12.471   3.713   0.566
   65    HD3  LYS   8           HD3      LYS   8  11.079   4.335   1.451
   66    HE2  LYS   8           HE2      LYS   8  13.131   5.149   2.444
   67    HE3  LYS   8           HE3      LYS   8  12.312   4.055   3.556
   68    HZ1  LYS   8           HZ1      LYS   8  14.616   3.346   1.819
   69    HZ2  LYS   8           HZ2      LYS   8  13.836   2.303   2.899
   70    HZ3  LYS   8           HZ3      LYS   8  14.688   3.637   3.484
   71    H    HIS   9           H        HIS   9   7.614   1.404   3.696
   72    HA   HIS   9           HA       HIS   9   7.504   0.300   6.380
   73    HB2  HIS   9           HB2      HIS   9   6.915   3.241   5.910
   74    HB3  HIS   9           HB3      HIS   9   6.843   2.384   7.443
   75    HD1  HIS   9           HD1      HIS   9   9.165   4.111   5.144
   76    HD2  HIS   9           HD2      HIS   9   9.386   1.800   8.589
   77    HE1  HIS   9           HE1      HIS   9  11.533   4.296   5.920
   78    HE2  HIS   9           HE2      HIS   9  11.689   2.756   7.907
   79    H    SER  10           H        SER  10   5.343  -0.090   7.014
   80    HA   SER  10           HA       SER  10   3.453  -0.389   4.954
   81    HB2  SER  10           HB2      SER  10   1.842  -0.772   6.899
   82    HB3  SER  10           HB3      SER  10   3.258  -1.820   6.842
   83    HG   SER  10           HG       SER  10   2.900  -0.978   8.940
   84    H    GLY  11           H        GLY  11   3.903   2.100   7.411
   85    HA2  GLY  11           HA2      GLY  11   1.578   3.601   6.869
   86    HA3  GLY  11           HA3      GLY  11   3.041   4.215   7.624
   87    H    GLN  12           H        GLN  12   4.605   3.363   5.195
   88    HA   GLN  12           HA       GLN  12   4.397   5.792   3.716
   89    HB2  GLN  12           HB2      GLN  12   6.543   4.625   3.917
   90    HB3  GLN  12           HB3      GLN  12   5.881   3.226   3.087
   91    HG2  GLN  12           HG2      GLN  12   5.485   4.743   1.110
   92    HG3  GLN  12           HG3      GLN  12   6.454   5.947   1.955
   93   HE21  GLN  12          HE21      GLN  12   6.463   2.886   0.329
   94   HE22  GLN  12          HE22      GLN  12   8.177   2.767   0.119
   95    H    CYS  13           H        CYS  13   3.347   2.480   3.250
   96    HA   CYS  13           HA       CYS  13   2.654   2.752   0.514
   97    HB2  CYS  13           HB2      CYS  13   1.793   0.696   2.551
   98    HB3  CYS  13           HB3      CYS  13   1.580   0.556   0.807
   99    H    LEU  14           H        LEU  14   1.068   3.682   3.387
  100    HA   LEU  14           HA       LEU  14  -1.619   3.553   2.515
  101    HB2  LEU  14           HB2      LEU  14  -0.130   4.838   4.690
  102    HB3  LEU  14           HB3      LEU  14  -1.567   5.701   4.205
  103    HG   LEU  14           HG       LEU  14  -1.989   4.215   6.100
  104   HD11  LEU  14          HD11      LEU  14  -3.300   3.495   3.505
  105   HD12  LEU  14          HD12      LEU  14  -3.847   4.662   4.704
  106   HD13  LEU  14          HD13      LEU  14  -3.885   2.937   5.069
  107   HD21  LEU  14          HD21      LEU  14  -1.396   1.924   4.237
  108   HD22  LEU  14          HD22      LEU  14  -1.827   1.842   5.947
  109   HD23  LEU  14          HD23      LEU  14  -0.269   2.514   5.462
  110    H    LYS  15           H        LYS  15   0.960   5.832   2.009
  111    HA   LYS  15           HA       LYS  15  -0.570   8.086   1.352
  112    HB2  LYS  15           HB2      LYS  15   2.226   7.426   0.422
  113    HB3  LYS  15           HB3      LYS  15   1.484   9.016   0.428
  114    HG2  LYS  15           HG2      LYS  15   1.365   8.973   2.855
  115    HG3  LYS  15           HG3      LYS  15   2.059   7.350   2.869
  116    HD2  LYS  15           HD2      LYS  15   4.090   8.239   1.791
  117    HD3  LYS  15           HD3      LYS  15   3.396   9.860   1.864
  118    HE2  LYS  15           HE2      LYS  15   3.280   9.668   4.317
  119    HE3  LYS  15           HE3      LYS  15   4.044   8.085   4.213
  120    HZ1  LYS  15           HZ1      LYS  15   5.647   9.795   4.746
  121    HZ2  LYS  15           HZ2      LYS  15   5.250  10.655   3.345
  122    HZ3  LYS  15           HZ3      LYS  15   5.985   9.139   3.225
  123    HA   PRO  16           HA       PRO  16  -0.354   6.862  -3.246
  124    HB2  PRO  16           HB2      PRO  16   0.673   4.505  -4.020
  125    HB3  PRO  16           HB3      PRO  16   1.697   5.919  -3.745
  126    HG2  PRO  16           HG2      PRO  16   1.200   3.566  -1.968
  127    HG3  PRO  16           HG3      PRO  16   2.719   4.414  -2.302
  128    HD2  PRO  16           HD2      PRO  16   1.196   4.818  -0.062
  129    HD3  PRO  16           HD3      PRO  16   2.300   6.021  -0.746
  130    H    CYS  17           H        CYS  17  -1.160   4.594  -0.797
  131    HA   CYS  17           HA       CYS  17  -2.733   2.819  -2.369
  132    HB2  CYS  17           HB2      CYS  17  -1.667   2.355  -0.095
  133    HB3  CYS  17           HB3      CYS  17  -3.022   3.237   0.601
  134    H    LYS  18           H        LYS  18  -3.402   5.792  -0.628
  135    HA   LYS  18           HA       LYS  18  -6.214   5.595  -0.656
  136    HB2  LYS  18           HB2      LYS  18  -6.229   7.985  -0.258
  137    HB3  LYS  18           HB3      LYS  18  -4.986   7.230   0.722
  138    HG2  LYS  18           HG2      LYS  18  -3.260   8.050  -0.667
  139    HG3  LYS  18           HG3      LYS  18  -4.410   8.547  -1.913
  140    HD2  LYS  18           HD2      LYS  18  -5.355  10.201  -0.355
  141    HD3  LYS  18           HD3      LYS  18  -4.185   9.708   0.869
  142    HE2  LYS  18           HE2      LYS  18  -3.455  10.827  -1.833
  143    HE3  LYS  18           HE3      LYS  18  -3.574  11.788  -0.360
  144    HZ1  LYS  18           HZ1      LYS  18  -1.710   9.519  -0.813
  145    HZ2  LYS  18           HZ2      LYS  18  -1.835  10.415   0.617
  146    HZ3  LYS  18           HZ3      LYS  18  -1.298  11.161  -0.802
  147    H    LYS  19           H        LYS  19  -3.907   6.316  -3.129
  148    HA   LYS  19           HA       LYS  19  -5.934   7.408  -4.916
  149    HB2  LYS  19           HB2      LYS  19  -2.987   6.875  -5.322
  150    HB3  LYS  19           HB3      LYS  19  -4.050   7.543  -6.553
  151    HG2  LYS  19           HG2      LYS  19  -4.530   9.442  -5.025
  152    HG3  LYS  19           HG3      LYS  19  -3.323   8.794  -3.914
  153    HD2  LYS  19           HD2      LYS  19  -2.356  10.549  -5.286
  154    HD3  LYS  19           HD3      LYS  19  -1.617   8.994  -5.668
  155    HE2  LYS  19           HE2      LYS  19  -2.091  10.279  -7.693
  156    HE3  LYS  19           HE3      LYS  19  -3.028   8.790  -7.645
  157    HZ1  LYS  19           HZ1      LYS  19  -4.034  11.499  -6.950
  158    HZ2  LYS  19           HZ2      LYS  19  -4.941  10.072  -6.889
  159    HZ3  LYS  19           HZ3      LYS  19  -4.374  10.649  -8.371
  160    H    ALA  20           H        ALA  20  -4.675   4.466  -3.975
  161    HA   ALA  20           HA       ALA  20  -5.166   3.065  -6.468
  162    HB1  ALA  20           HB1      ALA  20  -4.444   2.060  -3.714
  163    HB2  ALA  20           HB2      ALA  20  -3.338   2.315  -5.066
  164    HB3  ALA  20           HB3      ALA  20  -4.568   1.055  -5.161
  165    H    GLY  21           H        GLY  21  -6.952   4.197  -3.890
  166    HA2  GLY  21           HA2      GLY  21  -9.207   4.045  -3.463
  167    HA3  GLY  21           HA3      GLY  21  -9.345   2.924  -4.810
  168    H    MET  22           H        MET  22  -7.051   2.321  -2.277
  169    HA   MET  22           HA       MET  22  -8.689   0.006  -1.526
  170    HB2  MET  22           HB2      MET  22  -5.706   0.423  -1.343
  171    HB3  MET  22           HB3      MET  22  -6.547  -0.970  -0.682
  172    HG2  MET  22           HG2      MET  22  -6.490  -0.164  -3.579
  173    HG3  MET  22           HG3      MET  22  -5.560  -1.468  -2.844
  174    HE1  MET  22           HE1      MET  22  -7.500  -1.773  -5.410
  175    HE2  MET  22           HE2      MET  22  -8.248  -3.326  -5.042
  176    HE3  MET  22           HE3      MET  22  -6.526  -3.088  -4.751
  177    H    ARG  23           H        ARG  23  -7.882  -0.793   0.796
  178    HA   ARG  23           HA       ARG  23  -8.975   1.278   2.499
  179    HB2  ARG  23           HB2      ARG  23  -9.728  -1.131   2.481
  180    HB3  ARG  23           HB3      ARG  23  -8.204  -1.540   3.240
  181    HG2  ARG  23           HG2      ARG  23  -8.810  -0.679   5.246
  182    HG3  ARG  23           HG3      ARG  23  -9.869   0.537   4.529
  183    HD2  ARG  23           HD2      ARG  23 -10.948  -1.426   5.798
  184    HD3  ARG  23           HD3      ARG  23 -11.614  -0.976   4.233
  185    HE   ARG  23           HE       ARG  23 -10.273  -2.867   3.316
  186   HH11  ARG  23          HH11      ARG  23 -11.156  -2.857   6.710
  187   HH12  ARG  23          HH12      ARG  23 -11.172  -4.588   6.831
  188   HH21  ARG  23          HH21      ARG  23 -10.306  -5.124   3.481
  189   HH22  ARG  23          HH22      ARG  23 -10.691  -5.876   4.997
  190    H    PHE  24           H        PHE  24  -6.338  -1.034   3.203
  191    HA   PHE  24           HA       PHE  24  -4.722   1.245   4.127
  192    HB2  PHE  24           HB2      PHE  24  -3.989  -1.237   5.440
  193    HB3  PHE  24           HB3      PHE  24  -4.338   0.332   6.148
  194    HD1  PHE  24           HD1      PHE  24  -5.777  -2.831   5.021
  195    HD2  PHE  24           HD2      PHE  24  -6.422   0.738   7.224
  196    HE1  PHE  24           HE1      PHE  24  -7.820  -3.792   5.946
  197    HE2  PHE  24           HE2      PHE  24  -8.477  -0.223   8.181
  198    HZ   PHE  24           HZ       PHE  24  -9.178  -2.498   7.551
  199    H    GLY  25           H        GLY  25  -2.368   0.269   4.517
  200    HA2  GLY  25           HA2      GLY  25  -1.662  -1.358   2.172
  201    HA3  GLY  25           HA3      GLY  25  -0.779   0.110   2.564
  202    H    LYS  26           H        LYS  26  -0.887  -3.193   2.938
  203    HA   LYS  26           HA       LYS  26   0.559  -3.262   5.471
  204    HB2  LYS  26           HB2      LYS  26  -1.217  -4.967   4.840
  205    HB3  LYS  26           HB3      LYS  26  -0.099  -5.548   3.618
  206    HG2  LYS  26           HG2      LYS  26   1.522  -6.098   5.366
  207    HG3  LYS  26           HG3      LYS  26   0.366  -5.560   6.585
  208    HD2  LYS  26           HD2      LYS  26  -1.217  -7.265   5.844
  209    HD3  LYS  26           HD3      LYS  26  -0.080  -7.793   4.605
  210    HE2  LYS  26           HE2      LYS  26   1.524  -8.415   6.340
  211    HE3  LYS  26           HE3      LYS  26   0.397  -7.872   7.581
  212    HZ1  LYS  26           HZ1      LYS  26   0.320 -10.269   7.280
  213    HZ2  LYS  26           HZ2      LYS  26  -0.102 -10.075   5.654
  214    HZ3  LYS  26           HZ3      LYS  26  -1.161  -9.563   6.870
  215    H    CYS  27           H        CYS  27   2.670  -4.296   5.574
  216    HA   CYS  27           HA       CYS  27   4.215  -3.543   3.214
  217    HB2  CYS  27           HB2      CYS  27   4.753  -2.772   5.651
  218    HB3  CYS  27           HB3      CYS  27   5.499  -4.365   5.785
  219    H    ILE  28           H        ILE  28   4.338  -5.139   1.810
  220    HA   ILE  28           HA       ILE  28   5.057  -7.807   2.734
  221    HB   ILE  28           HB       ILE  28   3.618  -6.717   0.370
  222   HG12  ILE  28          HG12      ILE  28   2.252  -8.694   0.644
  223   HG13  ILE  28          HG13      ILE  28   3.402  -9.381   1.785
  224   HG21  ILE  28          HG21      ILE  28   5.534  -8.990   0.212
  225   HG22  ILE  28          HG22      ILE  28   5.322  -7.644  -0.904
  226   HG23  ILE  28          HG23      ILE  28   4.115  -8.929  -0.832
  227   HD11  ILE  28          HD11      ILE  28   2.894  -7.382   3.252
  228   HD12  ILE  28          HD12      ILE  28   1.620  -8.584   3.069
  229   HD13  ILE  28          HD13      ILE  28   1.540  -7.070   2.175
  230    H    ASN  29           H        ASN  29   6.853  -8.829   1.645
  231    HA   ASN  29           HA       ASN  29   9.200  -7.465   1.775
  232    HB2  ASN  29           HB2      ASN  29   8.585  -9.835   0.011
  233    HB3  ASN  29           HB3      ASN  29  10.198  -9.303   0.466
  234   HD21  ASN  29          HD21      ASN  29   8.688 -11.794   0.957
  235   HD22  ASN  29          HD22      ASN  29   8.742 -12.028   2.666
  236    H    GLY  30           H        GLY  30   9.074  -5.471   0.780
  237    HA2  GLY  30           HA2      GLY  30  10.030  -4.162  -0.896
  238    HA3  GLY  30           HA3      GLY  30   9.977  -5.542  -1.977
  239    H    LYS  31           H        LYS  31   6.935  -5.521  -0.792
  240    HA   LYS  31           HA       LYS  31   6.062  -3.715  -2.956
  241    HB2  LYS  31           HB2      LYS  31   4.978  -6.442  -2.274
  242    HB3  LYS  31           HB3      LYS  31   4.127  -5.294  -3.290
  243    HG2  LYS  31           HG2      LYS  31   6.027  -5.306  -4.851
  244    HG3  LYS  31           HG3      LYS  31   6.819  -6.517  -3.845
  245    HD2  LYS  31           HD2      LYS  31   5.708  -7.586  -5.719
  246    HD3  LYS  31           HD3      LYS  31   4.921  -8.039  -4.210
  247    HE2  LYS  31           HE2      LYS  31   3.243  -7.580  -5.881
  248    HE3  LYS  31           HE3      LYS  31   3.183  -6.334  -4.638
  249    HZ1  LYS  31           HZ1      LYS  31   4.410  -6.092  -7.331
  250    HZ2  LYS  31           HZ2      LYS  31   4.507  -4.905  -6.133
  251    HZ3  LYS  31           HZ3      LYS  31   3.007  -5.325  -6.787
  252    H    CYS  32           H        CYS  32   4.555  -2.302  -2.503
  253    HA   CYS  32           HA       CYS  32   3.362  -2.169   0.106
  254    HB2  CYS  32           HB2      CYS  32   3.220  -0.532  -2.403
  255    HB3  CYS  32           HB3      CYS  32   2.085  -0.220  -1.101
  256    H    ASP  33           H        ASP  33   2.118  -3.997   0.342
  257    HA   ASP  33           HA       ASP  33   0.125  -4.600  -1.701
  258    HB2  ASP  33           HB2      ASP  33   1.315  -6.485  -0.854
  259    HB3  ASP  33           HB3      ASP  33   0.918  -6.068   0.807
  260    H    CYS  34           H        CYS  34  -1.619  -3.485  -1.642
  261    HA   CYS  34           HA       CYS  34  -2.612  -2.301   0.787
  262    HB2  CYS  34           HB2      CYS  34  -3.507  -2.197  -2.070
  263    HB3  CYS  34           HB3      CYS  34  -4.467  -1.500  -0.779
  264    H    THR  35           H        THR  35  -4.586  -2.635   1.723
  265    HA   THR  35           HA       THR  35  -5.749  -5.278   1.306
  266    HB   THR  35           HB       THR  35  -6.490  -3.173   3.335
  267    HG1  THR  35           HG1      THR  35  -4.371  -4.956   3.215
  268   HG21  THR  35          HG21      THR  35  -8.204  -4.870   2.978
  269   HG22  THR  35          HG22      THR  35  -7.446  -5.070   4.564
  270   HG23  THR  35          HG23      THR  35  -7.006  -6.145   3.237
  271    HA   PRO  36           HA       PRO  36  -8.941  -3.276  -1.091
  272    HB2  PRO  36           HB2      PRO  36 -10.393  -5.751  -1.208
  273    HB3  PRO  36           HB3      PRO  36  -9.450  -4.965  -2.473
  274    HG2  PRO  36           HG2      PRO  36  -8.765  -7.336  -1.230
  275    HG3  PRO  36           HG3      PRO  36  -7.642  -6.280  -2.097
  276    HD2  PRO  36           HD2      PRO  36  -8.082  -6.588   0.829
  277    HD3  PRO  36           HD3      PRO  36  -6.592  -6.221  -0.065
  278    H    LYS  37           H        LYS  37 -11.512  -3.733  -1.075
  279    HA   LYS  37           HA       LYS  37 -12.309  -2.885   1.581
  280    HB2  LYS  37           HB2      LYS  37 -13.970  -3.022  -0.943
  281    HB3  LYS  37           HB3      LYS  37 -14.374  -2.164   0.536
  282    HG2  LYS  37           HG2      LYS  37 -12.054  -1.507  -1.270
  283    HG3  LYS  37           HG3      LYS  37 -13.607  -0.671  -1.257
  284    HD2  LYS  37           HD2      LYS  37 -13.234   0.017   1.048
  285    HD3  LYS  37           HD3      LYS  37 -11.704  -0.861   1.079
  286    HE2  LYS  37           HE2      LYS  37 -11.308   1.506   0.728
  287    HE3  LYS  37           HE3      LYS  37 -10.848   0.590  -0.704
  288    HZ1  LYS  37           HZ1      LYS  37 -13.390   2.086  -0.364
  289    HZ2  LYS  37           HZ2      LYS  37 -12.927   1.230  -1.746
  290    HZ3  LYS  37           HZ3      LYS  37 -12.061   2.600  -1.273
  Start of MODEL    3
    1    H1   VAL   1           H1       VAL   1  -4.408  -7.780  -6.692
    2    H2   VAL   1           H2       VAL   1  -5.997  -7.711  -6.125
    3    H3   VAL   1           H3       VAL   1  -4.746  -8.173  -5.085
    4    HA   VAL   1           HA       VAL   1  -5.033  -5.513  -6.334
    5    HB   VAL   1           HB       VAL   1  -5.509  -4.692  -4.068
    6   HG11  VAL   1          HG11      VAL   1  -7.805  -5.414  -3.975
    7   HG12  VAL   1          HG12      VAL   1  -7.433  -6.851  -4.924
    8   HG13  VAL   1          HG13      VAL   1  -7.323  -5.252  -5.660
    9   HG21  VAL   1          HG21      VAL   1  -4.406  -6.562  -2.881
   10   HG22  VAL   1          HG22      VAL   1  -5.766  -7.598  -3.309
   11   HG23  VAL   1          HG23      VAL   1  -6.015  -6.197  -2.265
   12    H    GLY   2           H        GLY   2  -3.567  -3.914  -5.335
   13    HA2  GLY   2           HA2      GLY   2  -1.506  -4.036  -3.718
   14    HA3  GLY   2           HA3      GLY   2  -0.931  -5.136  -4.965
   15    H    ILE   3           H        ILE   3   0.419  -2.771  -4.295
   16    HA   ILE   3           HA       ILE   3   0.002  -1.198  -6.738
   17    HB   ILE   3           HB       ILE   3   0.801   0.809  -5.477
   18   HG12  ILE   3          HG12      ILE   3   0.335  -0.983  -3.083
   19   HG13  ILE   3          HG13      ILE   3   1.881  -0.324  -3.603
   20   HG21  ILE   3          HG21      ILE   3  -1.356   1.247  -4.382
   21   HG22  ILE   3          HG22      ILE   3  -1.760  -0.464  -4.523
   22   HG23  ILE   3          HG23      ILE   3  -1.549   0.515  -5.975
   23   HD11  ILE   3          HD11      ILE   3   1.064   1.933  -3.143
   24   HD12  ILE   3          HD12      ILE   3   1.010   0.905  -1.711
   25   HD13  ILE   3          HD13      ILE   3  -0.472   1.260  -2.600
   26    H    ASN   4           H        ASN   4   1.872  -0.201  -7.604
   27    HA   ASN   4           HA       ASN   4   4.179  -1.928  -7.441
   28    HB2  ASN   4           HB2      ASN   4   5.056  -0.408  -9.274
   29    HB3  ASN   4           HB3      ASN   4   3.565  -1.269  -9.640
   30   HD21  ASN   4          HD21      ASN   4   4.836   1.835  -8.537
   31   HD22  ASN   4          HD22      ASN   4   3.543   2.789  -9.187
   32    H    VAL   5           H        VAL   5   3.884  -0.612  -5.046
   33    HA   VAL   5           HA       VAL   5   5.968   1.464  -5.110
   34    HB   VAL   5           HB       VAL   5   3.859   1.010  -2.991
   35   HG11  VAL   5          HG11      VAL   5   4.557   3.301  -2.271
   36   HG12  VAL   5          HG12      VAL   5   5.933   3.159  -3.358
   37   HG13  VAL   5          HG13      VAL   5   5.760   2.043  -2.003
   38   HG21  VAL   5          HG21      VAL   5   2.797   3.029  -3.867
   39   HG22  VAL   5          HG22      VAL   5   2.866   1.760  -5.090
   40   HG23  VAL   5          HG23      VAL   5   4.001   3.108  -5.154
   41    H    LYS   6           H        LYS   6   7.643   1.373  -3.579
   42    HA   LYS   6           HA       LYS   6   8.381  -1.333  -2.908
   43    HB2  LYS   6           HB2      LYS   6   9.841   1.286  -2.565
   44    HB3  LYS   6           HB3      LYS   6  10.524  -0.285  -2.178
   45    HG2  LYS   6           HG2      LYS   6   9.562   0.534  -4.903
   46    HG3  LYS   6           HG3      LYS   6  11.239   0.605  -4.370
   47    HD2  LYS   6           HD2      LYS   6   9.524  -1.869  -4.605
   48    HD3  LYS   6           HD3      LYS   6  10.846  -1.407  -5.675
   49    HE2  LYS   6           HE2      LYS   6  11.051  -2.149  -2.758
   50    HE3  LYS   6           HE3      LYS   6  11.601  -3.103  -4.132
   51    HZ1  LYS   6           HZ1      LYS   6  12.688  -0.473  -3.286
   52    HZ2  LYS   6           HZ2      LYS   6  13.189  -1.334  -4.648
   53    HZ3  LYS   6           HZ3      LYS   6  13.447  -1.975  -3.106
   54    H    CYS   7           H        CYS   7   8.596  -2.216  -0.973
   55    HA   CYS   7           HA       CYS   7   7.159  -1.115   1.236
   56    HB2  CYS   7           HB2      CYS   7   7.089  -3.482   0.935
   57    HB3  CYS   7           HB3      CYS   7   8.842  -3.598   0.897
   58    H    LYS   8           H        LYS   8   8.454   0.880   1.403
   59    HA   LYS   8           HA       LYS   8  10.965   0.571   2.821
   60    HB2  LYS   8           HB2      LYS   8   9.393   3.067   2.135
   61    HB3  LYS   8           HB3      LYS   8  11.033   3.020   2.772
   62    HG2  LYS   8           HG2      LYS   8  11.847   1.987   0.765
   63    HG3  LYS   8           HG3      LYS   8  10.208   1.824   0.137
   64    HD2  LYS   8           HD2      LYS   8  10.000   4.277   0.096
   65    HD3  LYS   8           HD3      LYS   8  11.661   4.415   0.676
   66    HE2  LYS   8           HE2      LYS   8  12.472   3.294  -1.318
   67    HE3  LYS   8           HE3      LYS   8  10.821   3.062  -1.883
   68    HZ1  LYS   8           HZ1      LYS   8  10.587   5.489  -1.979
   69    HZ2  LYS   8           HZ2      LYS   8  11.811   4.923  -2.997
   70    HZ3  LYS   8           HZ3      LYS   8  12.210   5.660  -1.529
   71    H    HIS   9           H        HIS   9   7.673   1.773   3.362
   72    HA   HIS   9           HA       HIS   9   7.851   1.170   6.199
   73    HB2  HIS   9           HB2      HIS   9   7.105   3.971   5.303
   74    HB3  HIS   9           HB3      HIS   9   7.223   3.388   6.957
   75    HD1  HIS   9           HD1      HIS   9   9.308   4.463   4.048
   76    HD2  HIS   9           HD2      HIS   9   9.814   3.370   8.023
   77    HE1  HIS   9           HE1      HIS   9  11.716   4.878   4.546
   78    HE2  HIS   9           HE2      HIS   9  12.004   4.276   6.984
   79    H    SER  10           H        SER  10   5.825   0.756   7.071
   80    HA   SER  10           HA       SER  10   3.742   0.143   5.266
   81    HB2  SER  10           HB2      SER  10   2.424  -0.171   7.459
   82    HB3  SER  10           HB3      SER  10   3.842  -1.185   7.203
   83    HG   SER  10           HG       SER  10   4.157  -0.421   9.195
   84    H    GLY  11           H        GLY  11   4.287   2.856   7.465
   85    HA2  GLY  11           HA2      GLY  11   1.781   4.127   6.984
   86    HA3  GLY  11           HA3      GLY  11   3.213   4.886   7.668
   87    H    GLN  12           H        GLN  12   4.658   3.853   5.178
   88    HA   GLN  12           HA       GLN  12   4.226   6.190   3.551
   89    HB2  GLN  12           HB2      GLN  12   6.494   5.352   3.905
   90    HB3  GLN  12           HB3      GLN  12   6.060   3.802   3.207
   91    HG2  GLN  12           HG2      GLN  12   5.698   6.209   1.519
   92    HG3  GLN  12           HG3      GLN  12   7.346   5.681   1.850
   93   HE21  GLN  12          HE21      GLN  12   8.030   3.670   1.086
   94   HE22  GLN  12          HE22      GLN  12   7.186   2.827  -0.167
   95    H    CYS  13           H        CYS  13   3.634   2.725   3.371
   96    HA   CYS  13           HA       CYS  13   2.847   2.589   0.679
   97    HB2  CYS  13           HB2      CYS  13   2.101   0.834   3.025
   98    HB3  CYS  13           HB3      CYS  13   1.770   0.438   1.346
   99    H    LEU  14           H        LEU  14   1.168   3.679   3.493
  100    HA   LEU  14           HA       LEU  14  -1.486   3.262   2.630
  101    HB2  LEU  14           HB2      LEU  14  -0.132   4.686   4.783
  102    HB3  LEU  14           HB3      LEU  14  -1.590   5.489   4.259
  103    HG   LEU  14           HG       LEU  14  -1.969   3.997   6.174
  104   HD11  LEU  14          HD11      LEU  14  -3.260   3.242   3.578
  105   HD12  LEU  14          HD12      LEU  14  -3.820   4.436   4.747
  106   HD13  LEU  14          HD13      LEU  14  -3.852   2.719   5.152
  107   HD21  LEU  14          HD21      LEU  14  -1.305   1.746   4.281
  108   HD22  LEU  14          HD22      LEU  14  -1.798   1.612   5.969
  109   HD23  LEU  14          HD23      LEU  14  -0.234   2.318   5.561
  110    H    LYS  15           H        LYS  15   0.825   5.811   2.045
  111    HA   LYS  15           HA       LYS  15  -1.016   7.827   1.349
  112    HB2  LYS  15           HB2      LYS  15   1.892   7.581   0.579
  113    HB3  LYS  15           HB3      LYS  15   0.918   9.040   0.465
  114    HG2  LYS  15           HG2      LYS  15   0.606   9.013   2.896
  115    HG3  LYS  15           HG3      LYS  15   1.618   7.571   2.998
  116    HD2  LYS  15           HD2      LYS  15   3.498   8.820   2.067
  117    HD3  LYS  15           HD3      LYS  15   2.486  10.260   1.942
  118    HE2  LYS  15           HE2      LYS  15   3.829  10.447   3.919
  119    HE3  LYS  15           HE3      LYS  15   2.156  10.173   4.403
  120    HZ1  LYS  15           HZ1      LYS  15   2.703   7.822   4.733
  121    HZ2  LYS  15           HZ2      LYS  15   3.635   8.830   5.717
  122    HZ3  LYS  15           HZ3      LYS  15   4.317   8.140   4.333
  123    HA   PRO  16           HA       PRO  16  -0.432   6.683  -3.231
  124    HB2  PRO  16           HB2      PRO  16   0.858   4.439  -3.962
  125    HB3  PRO  16           HB3      PRO  16   1.712   5.958  -3.666
  126    HG2  PRO  16           HG2      PRO  16   1.426   3.569  -1.894
  127    HG3  PRO  16           HG3      PRO  16   2.845   4.592  -2.179
  128    HD2  PRO  16           HD2      PRO  16   1.199   4.806   0.008
  129    HD3  PRO  16           HD3      PRO  16   2.185   6.132  -0.632
  130    H    CYS  17           H        CYS  17  -1.089   4.322  -0.823
  131    HA   CYS  17           HA       CYS  17  -2.511   2.471  -2.464
  132    HB2  CYS  17           HB2      CYS  17  -1.443   1.874  -0.296
  133    HB3  CYS  17           HB3      CYS  17  -2.670   2.829   0.530
  134    H    LYS  18           H        LYS  18  -3.446   5.189  -0.403
  135    HA   LYS  18           HA       LYS  18  -6.240   4.844  -0.632
  136    HB2  LYS  18           HB2      LYS  18  -6.389   7.177   0.093
  137    HB3  LYS  18           HB3      LYS  18  -5.213   6.302   1.062
  138    HG2  LYS  18           HG2      LYS  18  -3.400   7.312  -0.060
  139    HG3  LYS  18           HG3      LYS  18  -4.453   7.969  -1.314
  140    HD2  LYS  18           HD2      LYS  18  -5.527   9.401   0.383
  141    HD3  LYS  18           HD3      LYS  18  -4.408   8.771   1.596
  142    HE2  LYS  18           HE2      LYS  18  -2.529   9.691   0.435
  143    HE3  LYS  18           HE3      LYS  18  -3.537  10.152  -0.935
  144    HZ1  LYS  18           HZ1      LYS  18  -3.072  12.057   0.429
  145    HZ2  LYS  18           HZ2      LYS  18  -3.673  11.281   1.805
  146    HZ3  LYS  18           HZ3      LYS  18  -4.719  11.685   0.541
  147    H    LYS  19           H        LYS  19  -3.846   5.977  -2.804
  148    HA   LYS  19           HA       LYS  19  -5.653   7.503  -4.478
  149    HB2  LYS  19           HB2      LYS  19  -2.808   6.597  -4.987
  150    HB3  LYS  19           HB3      LYS  19  -3.705   7.758  -5.956
  151    HG2  LYS  19           HG2      LYS  19  -3.747   9.326  -4.142
  152    HG3  LYS  19           HG3      LYS  19  -3.024   8.146  -3.049
  153    HD2  LYS  19           HD2      LYS  19  -1.327   9.695  -3.766
  154    HD3  LYS  19           HD3      LYS  19  -1.006   8.120  -4.490
  155    HE2  LYS  19           HE2      LYS  19  -2.064   8.891  -6.576
  156    HE3  LYS  19           HE3      LYS  19  -2.314  10.476  -5.845
  157    HZ1  LYS  19           HZ1      LYS  19   0.107  10.645  -5.573
  158    HZ2  LYS  19           HZ2      LYS  19  -0.346  10.505  -7.193
  159    HZ3  LYS  19           HZ3      LYS  19   0.298   9.172  -6.380
  160    H    ALA  20           H        ALA  20  -4.692   4.313  -4.018
  161    HA   ALA  20           HA       ALA  20  -5.333   3.383  -6.693
  162    HB1  ALA  20           HB1      ALA  20  -4.628   1.910  -4.151
  163    HB2  ALA  20           HB2      ALA  20  -3.547   2.270  -5.502
  164    HB3  ALA  20           HB3      ALA  20  -4.887   1.143  -5.722
  165    H    GLY  21           H        GLY  21  -6.991   4.223  -3.915
  166    HA2  GLY  21           HA2      GLY  21  -9.273   4.138  -3.518
  167    HA3  GLY  21           HA3      GLY  21  -9.444   3.051  -4.891
  168    H    MET  22           H        MET  22  -7.062   2.332  -2.497
  169    HA   MET  22           HA       MET  22  -8.739   0.101  -1.602
  170    HB2  MET  22           HB2      MET  22  -5.734   0.425  -1.444
  171    HB3  MET  22           HB3      MET  22  -6.638  -0.954  -0.846
  172    HG2  MET  22           HG2      MET  22  -6.426  -0.057  -3.702
  173    HG3  MET  22           HG3      MET  22  -5.680  -1.476  -2.972
  174    HE1  MET  22           HE1      MET  22  -8.517  -2.795  -5.445
  175    HE2  MET  22           HE2      MET  22  -6.784  -2.798  -5.123
  176    HE3  MET  22           HE3      MET  22  -7.584  -1.312  -5.633
  177    H    ARG  23           H        ARG  23  -7.875  -0.598   0.770
  178    HA   ARG  23           HA       ARG  23  -8.803   1.690   2.320
  179    HB2  ARG  23           HB2      ARG  23  -9.869  -0.578   2.479
  180    HB3  ARG  23           HB3      ARG  23  -8.401  -1.149   3.251
  181    HG2  ARG  23           HG2      ARG  23  -8.847  -0.106   5.202
  182    HG3  ARG  23           HG3      ARG  23  -9.681   1.237   4.419
  183    HD2  ARG  23           HD2      ARG  23 -11.057  -0.450   5.815
  184    HD3  ARG  23           HD3      ARG  23 -11.679   0.070   4.252
  185    HE   ARG  23           HE       ARG  23 -10.484  -2.104   3.475
  186   HH11  ARG  23          HH11      ARG  23 -12.205  -1.671   6.497
  187   HH12  ARG  23          HH12      ARG  23 -12.755  -3.315   6.557
  188   HH21  ARG  23          HH21      ARG  23 -11.237  -4.248   3.533
  189   HH22  ARG  23          HH22      ARG  23 -12.213  -4.779   4.869
  190    H    PHE  24           H        PHE  24  -6.412  -0.859   3.066
  191    HA   PHE  24           HA       PHE  24  -4.566   1.266   3.922
  192    HB2  PHE  24           HB2      PHE  24  -4.048  -1.298   5.209
  193    HB3  PHE  24           HB3      PHE  24  -4.171   0.303   5.926
  194    HD1  PHE  24           HD1      PHE  24  -5.994  -2.676   4.914
  195    HD2  PHE  24           HD2      PHE  24  -6.181   0.991   7.036
  196    HE1  PHE  24           HE1      PHE  24  -8.120  -3.376   5.890
  197    HE2  PHE  24           HE2      PHE  24  -8.313   0.294   8.051
  198    HZ   PHE  24           HZ       PHE  24  -9.289  -1.894   7.476
  199    H    GLY  25           H        GLY  25  -2.283   0.292   4.072
  200    HA2  GLY  25           HA2      GLY  25  -1.792  -1.673   1.966
  201    HA3  GLY  25           HA3      GLY  25  -1.006  -0.104   1.861
  202    H    LYS  26           H        LYS  26  -0.795  -3.233   3.068
  203    HA   LYS  26           HA       LYS  26   0.960  -2.546   5.275
  204    HB2  LYS  26           HB2      LYS  26   1.034  -4.929   5.736
  205    HB3  LYS  26           HB3      LYS  26  -0.631  -4.411   5.532
  206    HG2  LYS  26           HG2      LYS  26  -0.614  -5.299   3.245
  207    HG3  LYS  26           HG3      LYS  26   1.046  -5.848   3.486
  208    HD2  LYS  26           HD2      LYS  26  -1.335  -6.735   5.117
  209    HD3  LYS  26           HD3      LYS  26  -0.611  -7.653   3.796
  210    HE2  LYS  26           HE2      LYS  26   1.479  -7.815   5.022
  211    HE3  LYS  26           HE3      LYS  26   0.825  -6.817   6.317
  212    HZ1  LYS  26           HZ1      LYS  26  -0.797  -8.531   6.789
  213    HZ2  LYS  26           HZ2      LYS  26   0.763  -9.175   6.866
  214    HZ3  LYS  26           HZ3      LYS  26  -0.212  -9.482   5.521
  215    H    CYS  27           H        CYS  27   3.108  -3.395   5.425
  216    HA   CYS  27           HA       CYS  27   4.507  -2.967   2.929
  217    HB2  CYS  27           HB2      CYS  27   5.051  -2.214   5.470
  218    HB3  CYS  27           HB3      CYS  27   6.004  -3.692   5.388
  219    H    ILE  28           H        ILE  28   4.738  -4.650   1.600
  220    HA   ILE  28           HA       ILE  28   4.844  -7.339   2.768
  221    HB   ILE  28           HB       ILE  28   2.979  -6.407   1.075
  222   HG12  ILE  28          HG12      ILE  28   2.471  -8.748   0.498
  223   HG13  ILE  28          HG13      ILE  28   4.060  -9.231   1.074
  224   HG21  ILE  28          HG21      ILE  28   5.032  -7.654  -0.739
  225   HG22  ILE  28          HG22      ILE  28   4.523  -5.964  -0.740
  226   HG23  ILE  28          HG23      ILE  28   3.380  -7.231  -1.187
  227   HD11  ILE  28          HD11      ILE  28   2.041  -7.850   2.816
  228   HD12  ILE  28          HD12      ILE  28   3.510  -8.697   3.309
  229   HD13  ILE  28          HD13      ILE  28   2.146  -9.605   2.656
  230    H    ASN  29           H        ASN  29   5.917  -8.912   1.033
  231    HA   ASN  29           HA       ASN  29   8.618  -8.577   1.092
  232    HB2  ASN  29           HB2      ASN  29   7.125 -10.048  -1.089
  233    HB3  ASN  29           HB3      ASN  29   8.788 -10.328  -0.587
  234   HD21  ASN  29          HD21      ASN  29   5.457 -10.860   0.105
  235   HD22  ASN  29          HD22      ASN  29   5.685 -11.961   1.420
  236    H    GLY  30           H        GLY  30   9.203  -6.493   0.542
  237    HA2  GLY  30           HA2      GLY  30  10.378  -5.137  -0.911
  238    HA3  GLY  30           HA3      GLY  30   9.906  -6.189  -2.232
  239    H    LYS  31           H        LYS  31   6.988  -5.710  -1.093
  240    HA   LYS  31           HA       LYS  31   6.655  -3.244  -2.684
  241    HB2  LYS  31           HB2      LYS  31   5.108  -5.827  -2.919
  242    HB3  LYS  31           HB3      LYS  31   4.575  -4.312  -3.634
  243    HG2  LYS  31           HG2      LYS  31   7.201  -5.643  -4.256
  244    HG3  LYS  31           HG3      LYS  31   5.733  -5.833  -5.214
  245    HD2  LYS  31           HD2      LYS  31   5.700  -3.470  -5.713
  246    HD3  LYS  31           HD3      LYS  31   7.076  -3.191  -4.644
  247    HE2  LYS  31           HE2      LYS  31   7.774  -3.225  -6.977
  248    HE3  LYS  31           HE3      LYS  31   8.479  -4.571  -6.086
  249    HZ1  LYS  31           HZ1      LYS  31   6.810  -6.030  -7.020
  250    HZ2  LYS  31           HZ2      LYS  31   7.652  -5.250  -8.257
  251    HZ3  LYS  31           HZ3      LYS  31   6.095  -4.741  -7.847
  252    H    CYS  32           H        CYS  32   4.235  -2.531  -2.513
  253    HA   CYS  32           HA       CYS  32   3.427  -2.742   0.302
  254    HB2  CYS  32           HB2      CYS  32   2.793  -0.618  -1.760
  255    HB3  CYS  32           HB3      CYS  32   2.118  -0.662  -0.138
  256    H    ASP  33           H        ASP  33   1.846  -4.121   0.656
  257    HA   ASP  33           HA       ASP  33   0.072  -4.874  -1.559
  258    HB2  ASP  33           HB2      ASP  33   1.376  -6.622  -0.272
  259    HB3  ASP  33           HB3      ASP  33   0.380  -6.223   1.120
  260    H    CYS  34           H        CYS  34  -1.892  -4.020  -1.611
  261    HA   CYS  34           HA       CYS  34  -2.832  -2.557   0.713
  262    HB2  CYS  34           HB2      CYS  34  -3.687  -2.557  -2.161
  263    HB3  CYS  34           HB3      CYS  34  -4.603  -1.736  -0.912
  264    H    THR  35           H        THR  35  -4.836  -2.731   1.607
  265    HA   THR  35           HA       THR  35  -6.193  -5.308   1.209
  266    HB   THR  35           HB       THR  35  -6.577  -3.246   3.372
  267    HG1  THR  35           HG1      THR  35  -4.704  -5.259   3.042
  268   HG21  THR  35          HG21      THR  35  -8.510  -4.700   3.054
  269   HG22  THR  35          HG22      THR  35  -7.704  -5.036   4.589
  270   HG23  THR  35          HG23      THR  35  -7.474  -6.120   3.217
  271    HA   PRO  36           HA       PRO  36  -9.234  -2.915  -1.028
  272    HB2  PRO  36           HB2      PRO  36 -10.925  -5.258  -1.124
  273    HB3  PRO  36           HB3      PRO  36 -10.012  -4.498  -2.424
  274    HG2  PRO  36           HG2      PRO  36  -9.424  -6.954  -1.348
  275    HG3  PRO  36           HG3      PRO  36  -8.256  -5.921  -2.183
  276    HD2  PRO  36           HD2      PRO  36  -8.644  -6.371   0.736
  277    HD3  PRO  36           HD3      PRO  36  -7.152  -6.084  -0.181
  278    H    LYS  37           H        LYS  37 -11.090  -1.867  -0.545
  279    HA   LYS  37           HA       LYS  37 -12.243  -2.341   2.082
  280    HB2  LYS  37           HB2      LYS  37 -13.508  -0.188   1.545
  281    HB3  LYS  37           HB3      LYS  37 -11.769  -0.059   1.751
  282    HG2  LYS  37           HG2      LYS  37 -11.464   0.008  -0.658
  283    HG3  LYS  37           HG3      LYS  37 -13.203  -0.184  -0.892
  284    HD2  LYS  37           HD2      LYS  37 -13.586   1.930   0.285
  285    HD3  LYS  37           HD3      LYS  37 -11.847   2.121   0.502
  286    HE2  LYS  37           HE2      LYS  37 -12.686   3.457  -1.374
  287    HE3  LYS  37           HE3      LYS  37 -11.537   2.230  -1.904
  288    HZ1  LYS  37           HZ1      LYS  37 -14.494   2.004  -2.079
  289    HZ2  LYS  37           HZ2      LYS  37 -13.380   0.853  -2.618
  290    HZ3  LYS  37           HZ3      LYS  37 -13.458   2.363  -3.367
  Start of MODEL    4
    1    H1   VAL   1           H1       VAL   1  -2.648  -7.249  -1.708
    2    H2   VAL   1           H2       VAL   1  -4.279  -7.426  -2.126
    3    H3   VAL   1           H3       VAL   1  -3.680  -5.905  -1.691
    4    HA   VAL   1           HA       VAL   1  -2.951  -7.464  -4.096
    5    HB   VAL   1           HB       VAL   1  -3.940  -5.559  -5.330
    6   HG11  VAL   1          HG11      VAL   1  -5.974  -6.767  -3.464
    7   HG12  VAL   1          HG12      VAL   1  -5.214  -7.669  -4.776
    8   HG13  VAL   1          HG13      VAL   1  -6.202  -6.255  -5.136
    9   HG21  VAL   1          HG21      VAL   1  -3.708  -3.931  -3.502
   10   HG22  VAL   1          HG22      VAL   1  -5.035  -4.726  -2.655
   11   HG23  VAL   1          HG23      VAL   1  -5.321  -3.946  -4.212
   12    H    GLY   2           H        GLY   2  -1.294  -6.642  -5.354
   13    HA2  GLY   2           HA2      GLY   2   0.532  -4.916  -3.855
   14    HA3  GLY   2           HA3      GLY   2   0.966  -5.964  -5.195
   15    H    ILE   3           H        ILE   3   1.164  -2.964  -4.476
   16    HA   ILE   3           HA       ILE   3   0.189  -1.946  -7.063
   17    HB   ILE   3           HB       ILE   3   0.447   0.325  -6.030
   18   HG12  ILE   3          HG12      ILE   3   0.683  -1.220  -3.441
   19   HG13  ILE   3          HG13      ILE   3   2.041  -0.446  -4.251
   20   HG21  ILE   3          HG21      ILE   3  -1.619   0.207  -4.724
   21   HG22  ILE   3          HG22      ILE   3  -1.460  -1.548  -4.632
   22   HG23  ILE   3          HG23      ILE   3  -1.733  -0.770  -6.191
   23   HD11  ILE   3          HD11      ILE   3   1.199   1.694  -3.832
   24   HD12  ILE   3          HD12      ILE   3   0.970   0.802  -2.331
   25   HD13  ILE   3          HD13      ILE   3  -0.397   1.081  -3.411
   26    H    ASN   4           H        ASN   4   1.648   0.152  -7.560
   27    HA   ASN   4           HA       ASN   4   4.229  -0.963  -8.201
   28    HB2  ASN   4           HB2      ASN   4   4.531   1.201  -9.452
   29    HB3  ASN   4           HB3      ASN   4   3.136   0.249  -9.947
   30   HD21  ASN   4          HD21      ASN   4   4.174   3.073  -8.139
   31   HD22  ASN   4          HD22      ASN   4   2.648   3.889  -8.187
   32    H    VAL   5           H        VAL   5   4.023  -0.618  -5.460
   33    HA   VAL   5           HA       VAL   5   6.001   1.507  -4.977
   34    HB   VAL   5           HB       VAL   5   3.700   0.785  -3.140
   35   HG11  VAL   5          HG11      VAL   5   4.474   2.702  -1.783
   36   HG12  VAL   5          HG12      VAL   5   5.903   2.816  -2.811
   37   HG13  VAL   5          HG13      VAL   5   5.636   1.375  -1.829
   38   HG21  VAL   5          HG21      VAL   5   2.854   3.006  -3.583
   39   HG22  VAL   5          HG22      VAL   5   3.021   2.113  -5.095
   40   HG23  VAL   5          HG23      VAL   5   4.212   3.338  -4.658
   41    H    LYS   6           H        LYS   6   7.552   1.016  -3.359
   42    HA   LYS   6           HA       LYS   6   7.881  -1.873  -2.973
   43    HB2  LYS   6           HB2      LYS   6   9.914   0.358  -2.777
   44    HB3  LYS   6           HB3      LYS   6  10.257  -1.362  -2.644
   45    HG2  LYS   6           HG2      LYS   6   9.549  -1.700  -4.947
   46    HG3  LYS   6           HG3      LYS   6   9.156   0.014  -5.088
   47    HD2  LYS   6           HD2      LYS   6  11.295  -0.345  -6.097
   48    HD3  LYS   6           HD3      LYS   6  11.545   0.528  -4.586
   49    HE2  LYS   6           HE2      LYS   6  12.119  -1.593  -3.483
   50    HE3  LYS   6           HE3      LYS   6  11.907  -2.433  -5.016
   51    HZ1  LYS   6           HZ1      LYS   6  13.700  -1.135  -5.950
   52    HZ2  LYS   6           HZ2      LYS   6  14.231  -1.941  -4.563
   53    HZ3  LYS   6           HZ3      LYS   6  13.887  -0.289  -4.498
   54    H    CYS   7           H        CYS   7   8.810  -2.625  -0.961
   55    HA   CYS   7           HA       CYS   7   7.369  -1.511   1.263
   56    HB2  CYS   7           HB2      CYS   7   7.518  -3.932   0.954
   57    HB3  CYS   7           HB3      CYS   7   9.267  -3.861   1.117
   58    H    LYS   8           H        LYS   8   8.548   0.560   1.238
   59    HA   LYS   8           HA       LYS   8  11.173   0.472   2.468
   60    HB2  LYS   8           HB2      LYS   8   9.423   2.824   1.720
   61    HB3  LYS   8           HB3      LYS   8  11.080   2.929   2.300
   62    HG2  LYS   8           HG2      LYS   8  11.856   1.718   0.332
   63    HG3  LYS   8           HG3      LYS   8  10.196   1.590  -0.249
   64    HD2  LYS   8           HD2      LYS   8  10.066   4.050  -0.338
   65    HD3  LYS   8           HD3      LYS   8  11.751   4.141   0.179
   66    HE2  LYS   8           HE2      LYS   8  10.763   2.789  -2.328
   67    HE3  LYS   8           HE3      LYS   8  11.494   4.389  -2.258
   68    HZ1  LYS   8           HZ1      LYS   8  13.530   3.397  -1.451
   69    HZ2  LYS   8           HZ2      LYS   8  13.082   2.683  -2.916
   70    HZ3  LYS   8           HZ3      LYS   8  12.829   1.860  -1.464
   71    H    HIS   9           H        HIS   9   7.925   1.718   3.219
   72    HA   HIS   9           HA       HIS   9   8.373   1.226   6.056
   73    HB2  HIS   9           HB2      HIS   9   7.391   3.944   5.174
   74    HB3  HIS   9           HB3      HIS   9   7.885   3.447   6.783
   75    HD1  HIS   9           HD1      HIS   9   9.208   4.657   3.526
   76    HD2  HIS   9           HD2      HIS   9  10.686   3.443   7.218
   77    HE1  HIS   9           HE1      HIS   9  11.653   5.181   3.471
   78    HE2  HIS   9           HE2      HIS   9  12.546   4.418   5.703
   79    H    SER  10           H        SER  10   6.498   0.707   7.099
   80    HA   SER  10           HA       SER  10   4.351  -0.179   5.509
   81    HB2  SER  10           HB2      SER  10   3.266  -0.698   7.705
   82    HB3  SER  10           HB3      SER  10   4.899  -1.342   7.544
   83    HG   SER  10           HG       SER  10   3.914   0.398   9.361
   84    H    GLY  11           H        GLY  11   4.714   2.664   7.588
   85    HA2  GLY  11           HA2      GLY  11   1.986   3.494   7.273
   86    HA3  GLY  11           HA3      GLY  11   3.298   4.462   7.928
   87    H    GLN  12           H        GLN  12   4.819   3.761   5.379
   88    HA   GLN  12           HA       GLN  12   4.182   6.140   3.952
   89    HB2  GLN  12           HB2      GLN  12   6.454   5.141   4.103
   90    HB3  GLN  12           HB3      GLN  12   5.908   3.798   3.115
   91    HG2  GLN  12           HG2      GLN  12   5.364   5.528   1.345
   92    HG3  GLN  12           HG3      GLN  12   6.282   6.667   2.333
   93   HE21  GLN  12          HE21      GLN  12   6.420   3.869   0.314
   94   HE22  GLN  12          HE22      GLN  12   8.137   3.836   0.119
   95    H    CYS  13           H        CYS  13   3.206   2.848   3.770
   96    HA   CYS  13           HA       CYS  13   2.381   2.896   1.027
   97    HB2  CYS  13           HB2      CYS  13   2.406   0.947   3.246
   98    HB3  CYS  13           HB3      CYS  13   1.165   0.712   2.021
   99    H    LEU  14           H        LEU  14   1.011   4.100   3.843
  100    HA   LEU  14           HA       LEU  14  -1.686   3.405   3.581
  101    HB2  LEU  14           HB2      LEU  14  -0.385   5.857   4.746
  102    HB3  LEU  14           HB3      LEU  14  -2.094   5.513   4.886
  103    HG   LEU  14           HG       LEU  14   0.156   3.844   6.013
  104   HD11  LEU  14          HD11      LEU  14  -1.925   5.556   7.357
  105   HD12  LEU  14          HD12      LEU  14  -0.202   5.908   7.237
  106   HD13  LEU  14          HD13      LEU  14  -0.756   4.524   8.179
  107   HD21  LEU  14          HD21      LEU  14  -1.645   2.396   5.343
  108   HD22  LEU  14          HD22      LEU  14  -2.829   3.446   6.122
  109   HD23  LEU  14          HD23      LEU  14  -1.658   2.559   7.099
  110    H    LYS  15           H        LYS  15   0.062   6.215   2.345
  111    HA   LYS  15           HA       LYS  15  -2.209   7.480   1.249
  112    HB2  LYS  15           HB2      LYS  15   0.657   7.907   0.440
  113    HB3  LYS  15           HB3      LYS  15  -0.679   9.027   0.222
  114    HG2  LYS  15           HG2      LYS  15  -0.893   9.104   2.720
  115    HG3  LYS  15           HG3      LYS  15   0.616   8.193   2.802
  116    HD2  LYS  15           HD2      LYS  15   1.688   9.994   1.447
  117    HD3  LYS  15           HD3      LYS  15   0.193  10.920   1.590
  118    HE2  LYS  15           HE2      LYS  15   2.014  10.033   3.820
  119    HE3  LYS  15           HE3      LYS  15   1.744  11.681   3.260
  120    HZ1  LYS  15           HZ1      LYS  15   0.511  11.247   5.275
  121    HZ2  LYS  15           HZ2      LYS  15  -0.269   9.930   4.562
  122    HZ3  LYS  15           HZ3      LYS  15  -0.562  11.495   3.992
  123    HA   PRO  16           HA       PRO  16  -0.636   6.115  -3.119
  124    HB2  PRO  16           HB2      PRO  16   0.860   3.819  -3.240
  125    HB3  PRO  16           HB3      PRO  16   1.536   5.450  -3.236
  126    HG2  PRO  16           HG2      PRO  16   1.266   3.502  -0.990
  127    HG3  PRO  16           HG3      PRO  16   2.604   4.602  -1.370
  128    HD2  PRO  16           HD2      PRO  16   0.814   5.146   0.573
  129    HD3  PRO  16           HD3      PRO  16   1.556   6.419  -0.415
  130    H    CYS  17           H        CYS  17  -1.370   3.707  -0.677
  131    HA   CYS  17           HA       CYS  17  -2.770   1.965  -2.451
  132    HB2  CYS  17           HB2      CYS  17  -2.643   2.222   0.549
  133    HB3  CYS  17           HB3      CYS  17  -3.596   1.005  -0.269
  134    H    LYS  18           H        LYS  18  -3.635   4.585  -0.249
  135    HA   LYS  18           HA       LYS  18  -6.426   4.329  -0.452
  136    HB2  LYS  18           HB2      LYS  18  -5.539   5.608   1.321
  137    HB3  LYS  18           HB3      LYS  18  -4.556   6.581   0.236
  138    HG2  LYS  18           HG2      LYS  18  -6.290   7.960   0.885
  139    HG3  LYS  18           HG3      LYS  18  -6.726   7.414  -0.737
  140    HD2  LYS  18           HD2      LYS  18  -8.230   5.751   0.209
  141    HD3  LYS  18           HD3      LYS  18  -7.775   6.239   1.841
  142    HE2  LYS  18           HE2      LYS  18  -9.167   7.946  -0.215
  143    HE3  LYS  18           HE3      LYS  18  -9.907   7.224   1.212
  144    HZ1  LYS  18           HZ1      LYS  18  -8.455   8.572   2.597
  145    HZ2  LYS  18           HZ2      LYS  18  -9.376   9.547   1.569
  146    HZ3  LYS  18           HZ3      LYS  18  -7.748   9.264   1.223
  147    H    LYS  19           H        LYS  19  -4.007   5.973  -2.387
  148    HA   LYS  19           HA       LYS  19  -5.902   7.464  -3.959
  149    HB2  LYS  19           HB2      LYS  19  -2.985   6.873  -4.505
  150    HB3  LYS  19           HB3      LYS  19  -3.961   8.096  -5.302
  151    HG2  LYS  19           HG2      LYS  19  -3.290   8.069  -2.368
  152    HG3  LYS  19           HG3      LYS  19  -2.453   9.022  -3.593
  153    HD2  LYS  19           HD2      LYS  19  -4.464  10.267  -4.064
  154    HD3  LYS  19           HD3      LYS  19  -5.400   9.235  -2.981
  155    HE2  LYS  19           HE2      LYS  19  -4.834  11.386  -1.943
  156    HE3  LYS  19           HE3      LYS  19  -4.121  10.026  -1.078
  157    HZ1  LYS  19           HZ1      LYS  19  -2.719  11.832  -2.977
  158    HZ2  LYS  19           HZ2      LYS  19  -2.024  10.481  -2.240
  159    HZ3  LYS  19           HZ3      LYS  19  -2.523  11.789  -1.296
  160    H    ALA  20           H        ALA  20  -5.034   4.326  -3.776
  161    HA   ALA  20           HA       ALA  20  -5.268   3.732  -6.635
  162    HB1  ALA  20           HB1      ALA  20  -4.454   2.041  -4.270
  163    HB2  ALA  20           HB2      ALA  20  -3.415   2.660  -5.559
  164    HB3  ALA  20           HB3      ALA  20  -4.620   1.423  -5.917
  165    H    GLY  21           H        GLY  21  -7.337   4.331  -4.277
  166    HA2  GLY  21           HA2      GLY  21  -9.608   3.900  -4.128
  167    HA3  GLY  21           HA3      GLY  21  -9.433   2.711  -5.411
  168    H    MET  22           H        MET  22  -7.416   2.642  -2.587
  169    HA   MET  22           HA       MET  22  -8.879   0.274  -1.636
  170    HB2  MET  22           HB2      MET  22  -5.869   0.607  -1.579
  171    HB3  MET  22           HB3      MET  22  -6.789  -0.834  -1.182
  172    HG2  MET  22           HG2      MET  22  -7.435  -1.174  -3.431
  173    HG3  MET  22           HG3      MET  22  -6.845   0.416  -3.907
  174    HE1  MET  22           HE1      MET  22  -5.528  -0.518  -5.939
  175    HE2  MET  22           HE2      MET  22  -6.136  -2.134  -5.584
  176    HE3  MET  22           HE3      MET  22  -4.412  -1.882  -5.859
  177    H    ARG  23           H        ARG  23  -7.908  -0.251   0.748
  178    HA   ARG  23           HA       ARG  23  -8.611   2.192   2.167
  179    HB2  ARG  23           HB2      ARG  23  -9.680  -0.041   2.656
  180    HB3  ARG  23           HB3      ARG  23  -8.155  -0.532   3.371
  181    HG2  ARG  23           HG2      ARG  23  -8.898   0.285   5.277
  182    HG3  ARG  23           HG3      ARG  23  -8.694   1.890   4.572
  183    HD2  ARG  23           HD2      ARG  23 -10.915   1.636   5.475
  184    HD3  ARG  23           HD3      ARG  23 -10.991   1.796   3.724
  185    HE   ARG  23           HE       ARG  23 -11.007  -0.851   4.002
  186   HH11  ARG  23          HH11      ARG  23 -12.809   1.619   5.712
  187   HH12  ARG  23          HH12      ARG  23 -14.162   0.582   6.038
  188   HH21  ARG  23          HH21      ARG  23 -12.772  -2.210   4.430
  189   HH22  ARG  23          HH22      ARG  23 -14.143  -1.603   5.302
  190    H    PHE  24           H        PHE  24  -6.345  -0.307   3.313
  191    HA   PHE  24           HA       PHE  24  -4.442   1.865   3.904
  192    HB2  PHE  24           HB2      PHE  24  -3.873  -0.644   5.268
  193    HB3  PHE  24           HB3      PHE  24  -4.036   0.975   5.933
  194    HD1  PHE  24           HD1      PHE  24  -5.812  -2.067   4.991
  195    HD2  PHE  24           HD2      PHE  24  -6.041   1.637   7.046
  196    HE1  PHE  24           HE1      PHE  24  -7.908  -2.790   6.010
  197    HE2  PHE  24           HE2      PHE  24  -8.152   0.924   8.100
  198    HZ   PHE  24           HZ       PHE  24  -9.092  -1.296   7.584
  199    H    GLY  25           H        GLY  25  -2.139   0.734   4.239
  200    HA2  GLY  25           HA2      GLY  25  -1.636  -1.121   2.033
  201    HA3  GLY  25           HA3      GLY  25  -0.769   0.404   2.071
  202    H    LYS  26           H        LYS  26  -0.620  -2.783   2.879
  203    HA   LYS  26           HA       LYS  26   1.044  -2.432   5.251
  204    HB2  LYS  26           HB2      LYS  26  -0.709  -4.280   5.007
  205    HB3  LYS  26           HB3      LYS  26   0.395  -5.022   3.859
  206    HG2  LYS  26           HG2      LYS  26   2.114  -5.150   5.594
  207    HG3  LYS  26           HG3      LYS  26   0.993  -4.430   6.747
  208    HD2  LYS  26           HD2      LYS  26  -0.554  -6.357   6.291
  209    HD3  LYS  26           HD3      LYS  26   0.754  -7.096   5.368
  210    HE2  LYS  26           HE2      LYS  26   0.867  -6.315   8.279
  211    HE3  LYS  26           HE3      LYS  26   0.672  -7.953   7.659
  212    HZ1  LYS  26           HZ1      LYS  26   3.028  -6.214   7.154
  213    HZ2  LYS  26           HZ2      LYS  26   2.842  -7.817   6.652
  214    HZ3  LYS  26           HZ3      LYS  26   2.969  -7.457   8.297
  215    H    CYS  27           H        CYS  27   3.171  -3.349   5.327
  216    HA   CYS  27           HA       CYS  27   4.607  -2.944   2.824
  217    HB2  CYS  27           HB2      CYS  27   5.176  -2.104   5.315
  218    HB3  CYS  27           HB3      CYS  27   6.031  -3.640   5.342
  219    H    ILE  28           H        ILE  28   4.742  -4.714   1.548
  220    HA   ILE  28           HA       ILE  28   4.697  -7.331   2.858
  221    HB   ILE  28           HB       ILE  28   3.054  -6.392   0.909
  222   HG12  ILE  28          HG12      ILE  28   2.402  -8.753   0.553
  223   HG13  ILE  28          HG13      ILE  28   3.866  -9.262   1.387
  224   HG21  ILE  28          HG21      ILE  28   5.072  -8.093  -0.540
  225   HG22  ILE  28          HG22      ILE  28   4.845  -6.355  -0.762
  226   HG23  ILE  28          HG23      ILE  28   3.551  -7.473  -1.192
  227   HD11  ILE  28          HD11      ILE  28   1.708  -7.570   2.623
  228   HD12  ILE  28          HD12      ILE  28   3.101  -8.283   3.437
  229   HD13  ILE  28          HD13      ILE  28   1.833  -9.319   2.790
  230    H    ASN  29           H        ASN  29   5.766  -9.025   1.197
  231    HA   ASN  29           HA       ASN  29   8.482  -8.884   1.590
  232    HB2  ASN  29           HB2      ASN  29   7.146 -10.370  -0.676
  233    HB3  ASN  29           HB3      ASN  29   8.668 -10.776   0.109
  234   HD21  ASN  29          HD21      ASN  29   6.073 -12.209  -0.239
  235   HD22  ASN  29          HD22      ASN  29   5.630 -12.710   1.355
  236    H    GLY  30           H        GLY  30   9.124  -6.751   0.939
  237    HA2  GLY  30           HA2      GLY  30  10.502  -5.552  -0.495
  238    HA3  GLY  30           HA3      GLY  30  10.150  -6.710  -1.766
  239    H    LYS  31           H        LYS  31   7.149  -6.090  -0.874
  240    HA   LYS  31           HA       LYS  31   6.964  -3.842  -2.782
  241    HB2  LYS  31           HB2      LYS  31   5.425  -6.427  -2.740
  242    HB3  LYS  31           HB3      LYS  31   4.760  -4.992  -3.498
  243    HG2  LYS  31           HG2      LYS  31   5.747  -6.290  -5.209
  244    HG3  LYS  31           HG3      LYS  31   6.803  -4.905  -4.941
  245    HD2  LYS  31           HD2      LYS  31   8.311  -6.285  -3.626
  246    HD3  LYS  31           HD3      LYS  31   7.234  -7.670  -3.813
  247    HE2  LYS  31           HE2      LYS  31   8.607  -6.215  -6.068
  248    HE3  LYS  31           HE3      LYS  31   9.161  -7.729  -5.356
  249    HZ1  LYS  31           HZ1      LYS  31   7.151  -8.801  -6.078
  250    HZ2  LYS  31           HZ2      LYS  31   7.879  -8.047  -7.407
  251    HZ3  LYS  31           HZ3      LYS  31   6.528  -7.347  -6.675
  252    H    CYS  32           H        CYS  32   4.477  -3.189  -2.838
  253    HA   CYS  32           HA       CYS  32   3.670  -2.754  -0.047
  254    HB2  CYS  32           HB2      CYS  32   4.289  -0.730  -1.386
  255    HB3  CYS  32           HB3      CYS  32   2.959  -1.093  -2.484
  256    H    ASP  33           H        ASP  33   2.075  -4.091   0.516
  257    HA   ASP  33           HA       ASP  33   0.091  -4.876  -1.506
  258    HB2  ASP  33           HB2      ASP  33   1.155  -6.759  -0.457
  259    HB3  ASP  33           HB3      ASP  33   0.792  -6.140   1.148
  260    H    CYS  34           H        CYS  34  -1.695  -3.816  -1.508
  261    HA   CYS  34           HA       CYS  34  -2.443  -2.218   0.816
  262    HB2  CYS  34           HB2      CYS  34  -3.691  -2.212  -1.927
  263    HB3  CYS  34           HB3      CYS  34  -3.836  -0.975  -0.684
  264    H    THR  35           H        THR  35  -4.552  -2.218   1.703
  265    HA   THR  35           HA       THR  35  -5.929  -4.788   1.420
  266    HB   THR  35           HB       THR  35  -6.447  -2.569   3.396
  267    HG1  THR  35           HG1      THR  35  -4.475  -4.508   3.311
  268   HG21  THR  35          HG21      THR  35  -8.315  -4.092   3.154
  269   HG22  THR  35          HG22      THR  35  -7.521  -4.359   4.709
  270   HG23  THR  35          HG23      THR  35  -7.243  -5.480   3.376
  271    HA   PRO  36           HA       PRO  36  -8.859  -2.325  -0.977
  272    HB2  PRO  36           HB2      PRO  36  -9.904  -4.337  -2.386
  273    HB3  PRO  36           HB3      PRO  36  -8.300  -3.705  -2.753
  274    HG2  PRO  36           HG2      PRO  36  -9.069  -6.183  -1.276
  275    HG3  PRO  36           HG3      PRO  36  -7.746  -5.929  -2.427
  276    HD2  PRO  36           HD2      PRO  36  -7.481  -5.919   0.334
  277    HD3  PRO  36           HD3      PRO  36  -6.337  -5.178  -0.802
  278    H    LYS  37           H        LYS  37 -11.098  -2.047  -0.816
  279    HA   LYS  37           HA       LYS  37 -12.357  -3.482   1.374
  280    HB2  LYS  37           HB2      LYS  37 -14.207  -1.796   1.057
  281    HB3  LYS  37           HB3      LYS  37 -12.656  -1.136   1.543
  282    HG2  LYS  37           HG2      LYS  37 -12.228  -0.359  -0.694
  283    HG3  LYS  37           HG3      LYS  37 -13.688  -1.153  -1.286
  284    HD2  LYS  37           HD2      LYS  37 -13.653   1.042   0.784
  285    HD3  LYS  37           HD3      LYS  37 -13.951   1.296  -0.937
  286    HE2  LYS  37           HE2      LYS  37 -15.906  -0.156  -0.819
  287    HE3  LYS  37           HE3      LYS  37 -15.603  -0.444   0.891
  288    HZ1  LYS  37           HZ1      LYS  37 -15.929   1.933   1.284
  289    HZ2  LYS  37           HZ2      LYS  37 -17.300   1.213   0.610
  290    HZ3  LYS  37           HZ3      LYS  37 -16.285   2.158  -0.354
  Start of MODEL    5
    1    H1   VAL   1           H1       VAL   1  -3.813  -7.065  -6.373
    2    H2   VAL   1           H2       VAL   1  -5.183  -7.849  -5.777
    3    H3   VAL   1           H3       VAL   1  -3.741  -7.882  -4.896
    4    HA   VAL   1           HA       VAL   1  -5.294  -5.447  -5.494
    5    HB   VAL   1           HB       VAL   1  -5.837  -5.447  -3.067
    6   HG11  VAL   1          HG11      VAL   1  -7.653  -7.037  -3.250
    7   HG12  VAL   1          HG12      VAL   1  -6.851  -7.841  -4.594
    8   HG13  VAL   1          HG13      VAL   1  -7.440  -6.189  -4.779
    9   HG21  VAL   1          HG21      VAL   1  -4.014  -7.002  -2.418
   10   HG22  VAL   1          HG22      VAL   1  -4.931  -8.320  -3.146
   11   HG23  VAL   1          HG23      VAL   1  -5.589  -7.444  -1.763
   12    H    GLY   2           H        GLY   2  -2.429  -5.945  -5.865
   13    HA2  GLY   2           HA2      GLY   2  -1.278  -4.430  -3.625
   14    HA3  GLY   2           HA3      GLY   2  -0.368  -5.387  -4.784
   15    H    ILE   3           H        ILE   3   0.624  -2.985  -4.385
   16    HA   ILE   3           HA       ILE   3  -0.190  -1.495  -6.783
   17    HB   ILE   3           HB       ILE   3   0.563   0.593  -5.627
   18   HG12  ILE   3          HG12      ILE   3   0.476  -1.184  -3.178
   19   HG13  ILE   3          HG13      ILE   3   1.909  -0.419  -3.857
   20   HG21  ILE   3          HG21      ILE   3  -1.503   0.827  -4.268
   21   HG22  ILE   3          HG22      ILE   3  -1.791  -0.899  -4.488
   22   HG23  ILE   3          HG23      ILE   3  -1.778   0.179  -5.884
   23   HD11  ILE   3          HD11      ILE   3   0.984   1.775  -3.339
   24   HD12  ILE   3          HD12      ILE   3   1.109   0.769  -1.897
   25   HD13  ILE   3          HD13      ILE   3  -0.456   1.011  -2.671
   26    H    ASN   4           H        ASN   4   1.522  -0.158  -7.671
   27    HA   ASN   4           HA       ASN   4   3.922  -1.721  -7.972
   28    HB2  ASN   4           HB2      ASN   4   4.457   0.084  -9.683
   29    HB3  ASN   4           HB3      ASN   4   2.989  -0.845  -9.976
   30   HD21  ASN   4          HD21      ASN   4   4.263   2.235  -8.907
   31   HD22  ASN   4          HD22      ASN   4   2.797   3.127  -9.127
   32    H    VAL   5           H        VAL   5   3.853  -0.728  -5.402
   33    HA   VAL   5           HA       VAL   5   5.967   1.328  -5.431
   34    HB   VAL   5           HB       VAL   5   3.851   1.057  -3.291
   35   HG11  VAL   5          HG11      VAL   5   4.634   3.297  -2.630
   36   HG12  VAL   5          HG12      VAL   5   5.893   3.198  -3.859
   37   HG13  VAL   5          HG13      VAL   5   5.893   2.070  -2.504
   38   HG21  VAL   5          HG21      VAL   5   2.752   2.993  -4.208
   39   HG22  VAL   5          HG22      VAL   5   2.841   1.735  -5.439
   40   HG23  VAL   5          HG23      VAL   5   3.948   3.108  -5.499
   41    H    LYS   6           H        LYS   6   7.671   0.999  -4.010
   42    HA   LYS   6           HA       LYS   6   7.768  -1.653  -2.826
   43    HB2  LYS   6           HB2      LYS   6  10.092  -1.463  -2.721
   44    HB3  LYS   6           HB3      LYS   6   9.675  -0.650  -4.219
   45    HG2  LYS   6           HG2      LYS   6   9.988   1.498  -3.220
   46    HG3  LYS   6           HG3      LYS   6  10.183   0.777  -1.620
   47    HD2  LYS   6           HD2      LYS   6  12.188  -0.430  -2.489
   48    HD3  LYS   6           HD3      LYS   6  12.026   0.484  -3.989
   49    HE2  LYS   6           HE2      LYS   6  12.300   2.570  -2.756
   50    HE3  LYS   6           HE3      LYS   6  12.425   1.670  -1.246
   51    HZ1  LYS   6           HZ1      LYS   6  14.433   0.625  -2.064
   52    HZ2  LYS   6           HZ2      LYS   6  14.594   2.308  -2.103
   53    HZ3  LYS   6           HZ3      LYS   6  14.306   1.455  -3.533
   54    H    CYS   7           H        CYS   7   7.893  -2.054  -0.689
   55    HA   CYS   7           HA       CYS   7   6.817  -0.092   1.067
   56    HB2  CYS   7           HB2      CYS   7   6.223  -2.383   1.446
   57    HB3  CYS   7           HB3      CYS   7   7.915  -2.853   1.593
   58    H    LYS   8           H        LYS   8   8.068   1.593   1.776
   59    HA   LYS   8           HA       LYS   8  10.837   1.067   2.501
   60    HB2  LYS   8           HB2      LYS   8   9.206   3.611   2.519
   61    HB3  LYS   8           HB3      LYS   8  10.891   3.514   3.008
   62    HG2  LYS   8           HG2      LYS   8  11.421   2.666   0.714
   63    HG3  LYS   8           HG3      LYS   8   9.749   3.020   0.268
   64    HD2  LYS   8           HD2      LYS   8  10.096   5.370   0.885
   65    HD3  LYS   8           HD3      LYS   8  11.766   5.005   1.308
   66    HE2  LYS   8           HE2      LYS   8  12.203   4.335  -1.002
   67    HE3  LYS   8           HE3      LYS   8  10.532   4.704  -1.424
   68    HZ1  LYS   8           HZ1      LYS   8  12.524   6.657  -0.410
   69    HZ2  LYS   8           HZ2      LYS   8  10.926   7.008  -0.838
   70    HZ3  LYS   8           HZ3      LYS   8  12.026   6.508  -2.019
   71    H    HIS   9           H        HIS   9   7.708   1.652   3.883
   72    HA   HIS   9           HA       HIS   9   8.639   0.876   6.516
   73    HB2  HIS   9           HB2      HIS   9   7.147   3.487   6.130
   74    HB3  HIS   9           HB3      HIS   9   7.682   2.805   7.656
   75    HD1  HIS   9           HD1      HIS   9   8.817   4.803   4.768
   76    HD2  HIS   9           HD2      HIS   9  10.480   3.047   8.146
   77    HE1  HIS   9           HE1      HIS   9  11.148   5.689   4.896
   78    HE2  HIS   9           HE2      HIS   9  12.042   4.824   7.094
   79    H    SER  10           H        SER  10   6.969  -0.039   7.726
   80    HA   SER  10           HA       SER  10   4.731  -0.918   6.176
   81    HB2  SER  10           HB2      SER  10   4.134  -2.088   8.372
   82    HB3  SER  10           HB3      SER  10   5.659  -2.529   7.603
   83    HG   SER  10           HG       SER  10   6.386  -2.128   9.552
   84    H    GLY  11           H        GLY  11   3.841   1.151   5.759
   85    HA2  GLY  11           HA2      GLY  11   1.517   1.835   6.908
   86    HA3  GLY  11           HA3      GLY  11   2.680   2.671   7.933
   87    H    GLN  12           H        GLN  12   4.553   3.035   5.702
   88    HA   GLN  12           HA       GLN  12   3.725   5.549   4.748
   89    HB2  GLN  12           HB2      GLN  12   6.115   4.500   4.858
   90    HB3  GLN  12           HB3      GLN  12   5.713   3.837   3.289
   91    HG2  GLN  12           HG2      GLN  12   5.300   6.077   2.436
   92    HG3  GLN  12           HG3      GLN  12   5.751   6.752   4.002
   93   HE21  GLN  12          HE21      GLN  12   6.867   5.247   1.097
   94   HE22  GLN  12          HE22      GLN  12   8.548   5.540   1.351
   95    H    CYS  13           H        CYS  13   3.281   2.326   3.615
   96    HA   CYS  13           HA       CYS  13   2.732   2.799   0.905
   97    HB2  CYS  13           HB2      CYS  13   1.737   0.584   2.704
   98    HB3  CYS  13           HB3      CYS  13   1.704   0.568   0.944
   99    H    LEU  14           H        LEU  14   0.959   3.724   3.609
  100    HA   LEU  14           HA       LEU  14  -1.688   3.397   2.664
  101    HB2  LEU  14           HB2      LEU  14  -0.356   4.897   4.809
  102    HB3  LEU  14           HB3      LEU  14  -1.839   5.618   4.236
  103    HG   LEU  14           HG       LEU  14  -2.159   4.178   6.216
  104   HD11  LEU  14          HD11      LEU  14  -3.442   3.342   3.643
  105   HD12  LEU  14          HD12      LEU  14  -4.035   4.521   4.811
  106   HD13  LEU  14          HD13      LEU  14  -4.003   2.804   5.224
  107   HD21  LEU  14          HD21      LEU  14  -1.440   1.893   4.384
  108   HD22  LEU  14          HD22      LEU  14  -1.934   1.790   6.075
  109   HD23  LEU  14          HD23      LEU  14  -0.387   2.525   5.650
  110    H    LYS  15           H        LYS  15   0.747   5.883   2.196
  111    HA   LYS  15           HA       LYS  15  -0.923   7.905   1.207
  112    HB2  LYS  15           HB2      LYS  15   1.992   7.383   0.633
  113    HB3  LYS  15           HB3      LYS  15   1.139   8.850   0.181
  114    HG2  LYS  15           HG2      LYS  15   0.673   9.272   2.565
  115    HG3  LYS  15           HG3      LYS  15   1.619   7.837   2.975
  116    HD2  LYS  15           HD2      LYS  15   3.597   8.815   1.983
  117    HD3  LYS  15           HD3      LYS  15   2.669  10.217   1.448
  118    HE2  LYS  15           HE2      LYS  15   2.191  10.770   3.793
  119    HE3  LYS  15           HE3      LYS  15   3.167   9.394   4.305
  120    HZ1  LYS  15           HZ1      LYS  15   5.081  10.417   3.220
  121    HZ2  LYS  15           HZ2      LYS  15   4.440  11.420   4.416
  122    HZ3  LYS  15           HZ3      LYS  15   4.139  11.755   2.788
  123    HA   PRO  16           HA       PRO  16  -0.180   6.342  -3.249
  124    HB2  PRO  16           HB2      PRO  16   0.927   3.901  -3.652
  125    HB3  PRO  16           HB3      PRO  16   1.877   5.385  -3.565
  126    HG2  PRO  16           HG2      PRO  16   1.450   3.281  -1.496
  127    HG3  PRO  16           HG3      PRO  16   2.913   4.203  -1.875
  128    HD2  PRO  16           HD2      PRO  16   1.257   4.758   0.236
  129    HD3  PRO  16           HD3      PRO  16   2.290   5.959  -0.556
  130    H    CYS  17           H        CYS  17  -1.031   4.106  -0.720
  131    HA   CYS  17           HA       CYS  17  -2.558   2.343  -2.360
  132    HB2  CYS  17           HB2      CYS  17  -1.518   1.735  -0.154
  133    HB3  CYS  17           HB3      CYS  17  -2.777   2.689   0.627
  134    H    LYS  18           H        LYS  18  -3.363   5.095  -0.267
  135    HA   LYS  18           HA       LYS  18  -6.165   4.836  -0.633
  136    HB2  LYS  18           HB2      LYS  18  -6.337   7.023   0.347
  137    HB3  LYS  18           HB3      LYS  18  -5.115   6.115   1.220
  138    HG2  LYS  18           HG2      LYS  18  -3.359   7.299   0.095
  139    HG3  LYS  18           HG3      LYS  18  -4.531   8.127  -0.933
  140    HD2  LYS  18           HD2      LYS  18  -5.527   9.121   1.128
  141    HD3  LYS  18           HD3      LYS  18  -4.226   8.383   2.061
  142    HE2  LYS  18           HE2      LYS  18  -3.605  10.638   1.661
  143    HE3  LYS  18           HE3      LYS  18  -2.609   9.630   0.612
  144    HZ1  LYS  18           HZ1      LYS  18  -3.394  11.494  -0.628
  145    HZ2  LYS  18           HZ2      LYS  18  -4.996  11.202  -0.174
  146    HZ3  LYS  18           HZ3      LYS  18  -4.202  10.120  -1.200
  147    H    LYS  19           H        LYS  19  -3.610   6.068  -2.561
  148    HA   LYS  19           HA       LYS  19  -5.386   7.545  -4.333
  149    HB2  LYS  19           HB2      LYS  19  -2.416   6.991  -4.445
  150    HB3  LYS  19           HB3      LYS  19  -3.287   7.855  -5.702
  151    HG2  LYS  19           HG2      LYS  19  -4.007   9.468  -3.874
  152    HG3  LYS  19           HG3      LYS  19  -2.773   8.699  -2.872
  153    HD2  LYS  19           HD2      LYS  19  -2.246   9.922  -5.577
  154    HD3  LYS  19           HD3      LYS  19  -2.007  10.764  -4.049
  155    HE2  LYS  19           HE2      LYS  19  -0.655   8.165  -4.748
  156    HE3  LYS  19           HE3      LYS  19   0.058   9.748  -5.056
  157    HZ1  LYS  19           HZ1      LYS  19  -0.723   8.686  -2.393
  158    HZ2  LYS  19           HZ2      LYS  19  -0.063  10.214  -2.685
  159    HZ3  LYS  19           HZ3      LYS  19   0.855   8.830  -2.985
  160    H    ALA  20           H        ALA  20  -4.695   4.453  -3.730
  161    HA   ALA  20           HA       ALA  20  -4.850   3.538  -6.511
  162    HB1  ALA  20           HB1      ALA  20  -4.427   2.014  -3.936
  163    HB2  ALA  20           HB2      ALA  20  -3.190   2.432  -5.129
  164    HB3  ALA  20           HB3      ALA  20  -4.470   1.291  -5.548
  165    H    GLY  21           H        GLY  21  -6.771   4.173  -3.797
  166    HA2  GLY  21           HA2      GLY  21  -9.127   4.153  -3.813
  167    HA3  GLY  21           HA3      GLY  21  -9.083   2.965  -5.109
  168    H    MET  22           H        MET  22  -6.896   2.158  -2.702
  169    HA   MET  22           HA       MET  22  -8.723   0.090  -1.740
  170    HB2  MET  22           HB2      MET  22  -5.716   0.306  -1.587
  171    HB3  MET  22           HB3      MET  22  -6.645  -0.987  -0.857
  172    HG2  MET  22           HG2      MET  22  -6.527  -0.340  -3.787
  173    HG3  MET  22           HG3      MET  22  -5.714  -1.677  -2.975
  174    HE1  MET  22           HE1      MET  22  -6.783  -3.332  -4.783
  175    HE2  MET  22           HE2      MET  22  -7.613  -1.975  -5.543
  176    HE3  MET  22           HE3      MET  22  -8.513  -3.427  -5.110
  177    H    ARG  23           H        ARG  23  -7.932  -0.612   0.681
  178    HA   ARG  23           HA       ARG  23  -8.813   1.727   2.167
  179    HB2  ARG  23           HB2      ARG  23  -9.917  -0.509   2.414
  180    HB3  ARG  23           HB3      ARG  23  -8.444  -1.096   3.169
  181    HG2  ARG  23           HG2      ARG  23  -8.798   0.069   5.092
  182    HG3  ARG  23           HG3      ARG  23  -9.728   1.331   4.288
  183    HD2  ARG  23           HD2      ARG  23 -11.083  -0.144   5.769
  184    HD3  ARG  23           HD3      ARG  23 -11.637  -0.103   4.098
  185    HE   ARG  23           HE       ARG  23  -9.960  -2.260   4.232
  186   HH11  ARG  23          HH11      ARG  23 -12.843  -1.257   5.947
  187   HH12  ARG  23          HH12      ARG  23 -13.384  -2.877   6.246
  188   HH21  ARG  23          HH21      ARG  23 -10.663  -4.391   4.634
  189   HH22  ARG  23          HH22      ARG  23 -12.132  -4.662   5.513
  190    H    PHE  24           H        PHE  24  -6.450  -0.822   3.017
  191    HA   PHE  24           HA       PHE  24  -4.607   1.332   3.807
  192    HB2  PHE  24           HB2      PHE  24  -4.077  -1.172   5.185
  193    HB3  PHE  24           HB3      PHE  24  -4.232   0.448   5.840
  194    HD1  PHE  24           HD1      PHE  24  -6.045  -2.547   4.852
  195    HD2  PHE  24           HD2      PHE  24  -6.220   1.105   6.987
  196    HE1  PHE  24           HE1      PHE  24  -8.147  -3.265   5.840
  197    HE2  PHE  24           HE2      PHE  24  -8.346   0.399   8.019
  198    HZ   PHE  24           HZ       PHE  24  -9.313  -1.797   7.452
  199    H    GLY  25           H        GLY  25  -2.332   0.513   3.913
  200    HA2  GLY  25           HA2      GLY  25  -1.792  -1.518   1.867
  201    HA3  GLY  25           HA3      GLY  25  -0.984   0.043   1.814
  202    H    LYS  26           H        LYS  26  -0.833  -3.099   2.948
  203    HA   LYS  26           HA       LYS  26   0.831  -2.482   5.259
  204    HB2  LYS  26           HB2      LYS  26   0.786  -4.883   5.693
  205    HB3  LYS  26           HB3      LYS  26  -0.841  -4.270   5.454
  206    HG2  LYS  26           HG2      LYS  26  -0.935  -5.186   3.248
  207    HG3  LYS  26           HG3      LYS  26   0.764  -5.650   3.322
  208    HD2  LYS  26           HD2      LYS  26  -0.556  -7.610   3.690
  209    HD3  LYS  26           HD3      LYS  26   0.196  -7.167   5.219
  210    HE2  LYS  26           HE2      LYS  26  -2.576  -6.246   4.551
  211    HE3  LYS  26           HE3      LYS  26  -2.297  -7.864   5.186
  212    HZ1  LYS  26           HZ1      LYS  26  -1.203  -6.836   7.115
  213    HZ2  LYS  26           HZ2      LYS  26  -2.818  -6.368   6.967
  214    HZ3  LYS  26           HZ3      LYS  26  -1.592  -5.304   6.515
  215    H    CYS  27           H        CYS  27   2.846  -3.830   5.492
  216    HA   CYS  27           HA       CYS  27   4.478  -3.385   3.147
  217    HB2  CYS  27           HB2      CYS  27   5.169  -2.830   5.540
  218    HB3  CYS  27           HB3      CYS  27   5.368  -4.563   5.777
  219    H    ILE  28           H        ILE  28   4.885  -4.889   1.695
  220    HA   ILE  28           HA       ILE  28   4.624  -7.703   2.482
  221    HB   ILE  28           HB       ILE  28   3.053  -6.385   0.651
  222   HG12  ILE  28          HG12      ILE  28   2.279  -8.623   0.002
  223   HG13  ILE  28          HG13      ILE  28   3.712  -9.330   0.745
  224   HG21  ILE  28          HG21      ILE  28   5.075  -7.969  -0.919
  225   HG22  ILE  28          HG22      ILE  28   4.877  -6.214  -0.957
  226   HG23  ILE  28          HG23      ILE  28   3.587  -7.258  -1.553
  227   HD11  ILE  28          HD11      ILE  28   1.640  -7.722   2.220
  228   HD12  ILE  28          HD12      ILE  28   2.993  -8.613   2.919
  229   HD13  ILE  28          HD13      ILE  28   1.676  -9.482   2.136
  230    H    ASN  29           H        ASN  29   5.790  -9.064   0.615
  231    HA   ASN  29           HA       ASN  29   8.492  -8.916   1.019
  232    HB2  ASN  29           HB2      ASN  29   7.265  -9.955  -1.535
  233    HB3  ASN  29           HB3      ASN  29   8.751 -10.493  -0.763
  234   HD21  ASN  29          HD21      ASN  29   7.583 -10.454   1.912
  235   HD22  ASN  29          HD22      ASN  29   6.528 -11.821   1.988
  236    H    GLY  30           H        GLY  30   9.160  -6.753   0.821
  237    HA2  GLY  30           HA2      GLY  30  10.435  -5.193  -0.297
  238    HA3  GLY  30           HA3      GLY  30  10.193  -6.104  -1.775
  239    H    LYS  31           H        LYS  31   7.122  -5.797  -0.951
  240    HA   LYS  31           HA       LYS  31   6.936  -3.235  -2.401
  241    HB2  LYS  31           HB2      LYS  31   5.323  -5.735  -2.909
  242    HB3  LYS  31           HB3      LYS  31   5.024  -4.178  -3.666
  243    HG2  LYS  31           HG2      LYS  31   7.505  -5.856  -3.967
  244    HG3  LYS  31           HG3      LYS  31   6.234  -5.633  -5.170
  245    HD2  LYS  31           HD2      LYS  31   6.752  -3.228  -5.247
  246    HD3  LYS  31           HD3      LYS  31   8.048  -3.481  -4.075
  247    HE2  LYS  31           HE2      LYS  31   9.041  -3.407  -6.240
  248    HE3  LYS  31           HE3      LYS  31   9.086  -5.078  -5.686
  249    HZ1  LYS  31           HZ1      LYS  31   7.088  -5.493  -7.028
  250    HZ2  LYS  31           HZ2      LYS  31   8.407  -5.014  -7.965
  251    HZ3  LYS  31           HZ3      LYS  31   7.167  -3.915  -7.624
  252    H    CYS  32           H        CYS  32   4.637  -2.387  -2.424
  253    HA   CYS  32           HA       CYS  32   3.507  -2.595   0.263
  254    HB2  CYS  32           HB2      CYS  32   3.039  -0.616  -1.980
  255    HB3  CYS  32           HB3      CYS  32   2.157  -0.604  -0.458
  256    H    ASP  33           H        ASP  33   1.911  -3.956   0.571
  257    HA   ASP  33           HA       ASP  33   0.196  -4.687  -1.716
  258    HB2  ASP  33           HB2      ASP  33   1.476  -6.509  -0.543
  259    HB3  ASP  33           HB3      ASP  33   0.517  -6.171   0.893
  260    H    CYS  34           H        CYS  34  -1.849  -4.003  -1.717
  261    HA   CYS  34           HA       CYS  34  -2.769  -2.520   0.604
  262    HB2  CYS  34           HB2      CYS  34  -3.705  -2.660  -2.238
  263    HB3  CYS  34           HB3      CYS  34  -4.653  -1.873  -0.988
  264    H    THR  35           H        THR  35  -4.769  -2.761   1.552
  265    HA   THR  35           HA       THR  35  -6.051  -5.379   1.097
  266    HB   THR  35           HB       THR  35  -6.006  -3.625   3.539
  267    HG1  THR  35           HG1      THR  35  -4.375  -5.573   2.671
  268   HG21  THR  35          HG21      THR  35  -8.165  -4.785   3.267
  269   HG22  THR  35          HG22      THR  35  -7.261  -5.353   4.674
  270   HG23  THR  35          HG23      THR  35  -7.300  -6.324   3.201
  271    HA   PRO  36           HA       PRO  36  -9.391  -2.768  -0.344
  272    HB2  PRO  36           HB2      PRO  36 -11.039  -4.741  -1.127
  273    HB3  PRO  36           HB3      PRO  36  -9.608  -4.295  -2.059
  274    HG2  PRO  36           HG2      PRO  36 -10.000  -6.574  -0.162
  275    HG3  PRO  36           HG3      PRO  36  -9.172  -6.550  -1.729
  276    HD2  PRO  36           HD2      PRO  36  -7.874  -6.425   0.676
  277    HD3  PRO  36           HD3      PRO  36  -7.229  -5.736  -0.827
  278    H    LYS  37           H        LYS  37 -11.747  -2.612   0.116
  279    HA   LYS  37           HA       LYS  37 -12.243  -3.192   2.919
  280    HB2  LYS  37           HB2      LYS  37 -14.325  -1.770   2.471
  281    HB3  LYS  37           HB3      LYS  37 -12.765  -0.965   2.403
  282    HG2  LYS  37           HG2      LYS  37 -12.818  -0.818   0.065
  283    HG3  LYS  37           HG3      LYS  37 -14.108  -2.013  -0.066
  284    HD2  LYS  37           HD2      LYS  37 -14.637   0.490   1.459
  285    HD3  LYS  37           HD3      LYS  37 -14.595   0.572  -0.302
  286    HE2  LYS  37           HE2      LYS  37 -16.868   0.198   0.645
  287    HE3  LYS  37           HE3      LYS  37 -16.349  -1.042  -0.490
  288    HZ1  LYS  37           HZ1      LYS  37 -15.794  -2.471   1.388
  289    HZ2  LYS  37           HZ2      LYS  37 -17.421  -2.011   1.433
  290    HZ3  LYS  37           HZ3      LYS  37 -16.309  -1.274   2.470
  Start of MODEL    6
    1    H1   VAL   1           H1       VAL   1  -3.669  -8.045  -4.398
    2    H2   VAL   1           H2       VAL   1  -3.414  -7.556  -5.997
    3    H3   VAL   1           H3       VAL   1  -4.931  -8.122  -5.520
    4    HA   VAL   1           HA       VAL   1  -4.864  -5.713  -5.755
    5    HB   VAL   1           HB       VAL   1  -5.772  -5.174  -3.465
    6   HG11  VAL   1          HG11      VAL   1  -7.761  -6.515  -3.772
    7   HG12  VAL   1          HG12      VAL   1  -6.878  -7.645  -4.798
    8   HG13  VAL   1          HG13      VAL   1  -7.155  -5.990  -5.341
    9   HG21  VAL   1          HG21      VAL   1  -4.332  -6.832  -2.299
   10   HG22  VAL   1          HG22      VAL   1  -5.331  -8.115  -2.982
   11   HG23  VAL   1          HG23      VAL   1  -6.038  -6.938  -1.875
   12    H    GLY   2           H        GLY   2  -2.085  -6.259  -5.626
   13    HA2  GLY   2           HA2      GLY   2  -1.180  -4.342  -3.581
   14    HA3  GLY   2           HA3      GLY   2  -0.148  -5.506  -4.405
   15    H    ILE   3           H        ILE   3   0.582  -2.845  -4.303
   16    HA   ILE   3           HA       ILE   3   0.023  -1.932  -7.042
   17    HB   ILE   3           HB       ILE   3   0.674   0.353  -6.238
   18   HG12  ILE   3          HG12      ILE   3   0.408  -0.956  -3.522
   19   HG13  ILE   3          HG13      ILE   3   1.887  -0.302  -4.216
   20   HG21  ILE   3          HG21      ILE   3  -1.496   0.790  -5.141
   21   HG22  ILE   3          HG22      ILE   3  -1.739  -0.950  -4.988
   22   HG23  ILE   3          HG23      ILE   3  -1.641  -0.211  -6.586
   23   HD11  ILE   3          HD11      ILE   3   1.102   1.918  -4.034
   24   HD12  ILE   3          HD12      ILE   3   0.731   1.127  -2.501
   25   HD13  ILE   3          HD13      ILE   3  -0.544   1.379  -3.693
   26    H    ASN   4           H        ASN   4   1.790  -0.660  -8.004
   27    HA   ASN   4           HA       ASN   4   4.133  -2.302  -8.045
   28    HB2  ASN   4           HB2      ASN   4   4.866  -0.817  -9.874
   29    HB3  ASN   4           HB3      ASN   4   3.221  -1.396 -10.116
   30   HD21  ASN   4          HD21      ASN   4   5.186   1.365  -9.220
   31   HD22  ASN   4          HD22      ASN   4   3.969   2.558  -9.512
   32    H    VAL   5           H        VAL   5   3.443  -0.261  -5.780
   33    HA   VAL   5           HA       VAL   5   5.861   1.363  -5.814
   34    HB   VAL   5           HB       VAL   5   3.703   1.265  -3.701
   35   HG11  VAL   5          HG11      VAL   5   5.742   2.265  -2.910
   36   HG12  VAL   5          HG12      VAL   5   4.537   3.525  -3.151
   37   HG13  VAL   5          HG13      VAL   5   5.828   3.306  -4.328
   38   HG21  VAL   5          HG21      VAL   5   2.642   3.119  -4.759
   39   HG22  VAL   5          HG22      VAL   5   2.817   1.839  -5.958
   40   HG23  VAL   5          HG23      VAL   5   3.910   3.224  -5.979
   41    H    LYS   6           H        LYS   6   7.567   1.052  -4.413
   42    HA   LYS   6           HA       LYS   6   7.648  -1.509  -3.048
   43    HB2  LYS   6           HB2      LYS   6  10.029  -0.916  -2.603
   44    HB3  LYS   6           HB3      LYS   6   9.607  -0.935  -4.309
   45    HG2  LYS   6           HG2      LYS   6   9.433   1.510  -4.281
   46    HG3  LYS   6           HG3      LYS   6   9.890   1.510  -2.577
   47    HD2  LYS   6           HD2      LYS   6  11.799   2.015  -4.019
   48    HD3  LYS   6           HD3      LYS   6  12.034   0.506  -3.139
   49    HE2  LYS   6           HE2      LYS   6  11.489  -0.783  -5.086
   50    HE3  LYS   6           HE3      LYS   6  11.021   0.667  -5.972
   51    HZ1  LYS   6           HZ1      LYS   6  13.299   1.423  -5.893
   52    HZ2  LYS   6           HZ2      LYS   6  13.227  -0.114  -6.593
   53    HZ3  LYS   6           HZ3      LYS   6  13.758   0.064  -4.997
   54    H    CYS   7           H        CYS   7   7.522  -1.810  -0.902
   55    HA   CYS   7           HA       CYS   7   6.721   0.502   0.675
   56    HB2  CYS   7           HB2      CYS   7   5.339  -1.555   0.714
   57    HB3  CYS   7           HB3      CYS   7   6.689  -2.416   1.446
   58    H    LYS   8           H        LYS   8   8.334   1.592   1.717
   59    HA   LYS   8           HA       LYS   8  10.556   0.066   2.826
   60    HB2  LYS   8           HB2      LYS   8   9.977   3.037   2.857
   61    HB3  LYS   8           HB3      LYS   8  11.418   2.289   3.533
   62    HG2  LYS   8           HG2      LYS   8  12.035   1.472   1.316
   63    HG3  LYS   8           HG3      LYS   8  10.587   2.211   0.639
   64    HD2  LYS   8           HD2      LYS   8  12.486   3.635   0.217
   65    HD3  LYS   8           HD3      LYS   8  11.417   4.421   1.377
   66    HE2  LYS   8           HE2      LYS   8  13.759   4.673   2.013
   67    HE3  LYS   8           HE3      LYS   8  12.873   3.725   3.205
   68    HZ1  LYS   8           HZ1      LYS   8  15.070   2.804   2.667
   69    HZ2  LYS   8           HZ2      LYS   8  14.580   2.567   1.069
   70    HZ3  LYS   8           HZ3      LYS   8  13.819   1.722   2.321
   71    H    HIS   9           H        HIS   9   7.677   1.794   3.791
   72    HA   HIS   9           HA       HIS   9   7.818   0.590   6.443
   73    HB2  HIS   9           HB2      HIS   9   7.293   3.558   6.118
   74    HB3  HIS   9           HB3      HIS   9   7.417   2.657   7.624
   75    HD1  HIS   9           HD1      HIS   9   9.415   4.436   5.101
   76    HD2  HIS   9           HD2      HIS   9  10.099   1.885   8.312
   77    HE1  HIS   9           HE1      HIS   9  11.887   4.502   5.496
   78    HE2  HIS   9           HE2      HIS   9  12.295   2.924   7.413
   79    H    SER  10           H        SER  10   5.693   0.504   7.483
   80    HA   SER  10           HA       SER  10   3.662  -0.074   5.627
   81    HB2  SER  10           HB2      SER  10   2.195  -0.213   7.703
   82    HB3  SER  10           HB3      SER  10   3.622  -1.244   7.687
   83    HG   SER  10           HG       SER  10   3.864  -0.329   9.587
   84    H    GLY  11           H        GLY  11   4.133   2.713   7.766
   85    HA2  GLY  11           HA2      GLY  11   1.752   4.077   7.107
   86    HA3  GLY  11           HA3      GLY  11   3.216   4.823   7.731
   87    H    GLN  12           H        GLN  12   4.746   3.714   5.423
   88    HA   GLN  12           HA       GLN  12   4.331   5.905   3.609
   89    HB2  GLN  12           HB2      GLN  12   6.596   5.140   4.090
   90    HB3  GLN  12           HB3      GLN  12   6.207   3.535   3.499
   91    HG2  GLN  12           HG2      GLN  12   5.901   4.395   1.267
   92    HG3  GLN  12           HG3      GLN  12   6.222   6.033   1.832
   93   HE21  GLN  12          HE21      GLN  12   8.309   6.626   2.357
   94   HE22  GLN  12          HE22      GLN  12   9.682   5.682   1.899
   95    H    CYS  13           H        CYS  13   3.439   2.570   3.805
   96    HA   CYS  13           HA       CYS  13   2.923   2.177   1.017
   97    HB2  CYS  13           HB2      CYS  13   3.450   0.341   2.638
   98    HB3  CYS  13           HB3      CYS  13   1.891   0.617   3.402
   99    H    LEU  14           H        LEU  14   1.236   3.474   3.718
  100    HA   LEU  14           HA       LEU  14  -1.417   3.195   2.777
  101    HB2  LEU  14           HB2      LEU  14  -0.045   4.462   4.981
  102    HB3  LEU  14           HB3      LEU  14  -1.313   5.493   4.361
  103    HG   LEU  14           HG       LEU  14  -2.133   4.141   6.205
  104   HD11  LEU  14          HD11      LEU  14  -3.518   4.705   4.162
  105   HD12  LEU  14          HD12      LEU  14  -4.124   3.426   5.212
  106   HD13  LEU  14          HD13      LEU  14  -3.323   3.019   3.693
  107   HD21  LEU  14          HD21      LEU  14  -1.547   1.722   4.506
  108   HD22  LEU  14          HD22      LEU  14  -2.216   1.750   6.138
  109   HD23  LEU  14          HD23      LEU  14  -0.546   2.245   5.861
  110    H    LYS  15           H        LYS  15   1.118   5.453   2.072
  111    HA   LYS  15           HA       LYS  15  -0.511   7.650   1.370
  112    HB2  LYS  15           HB2      LYS  15   2.341   7.074   0.569
  113    HB3  LYS  15           HB3      LYS  15   1.523   8.617   0.381
  114    HG2  LYS  15           HG2      LYS  15   2.159   7.223   2.973
  115    HG3  LYS  15           HG3      LYS  15   2.940   8.667   2.328
  116    HD2  LYS  15           HD2      LYS  15   0.761   9.842   2.446
  117    HD3  LYS  15           HD3      LYS  15   0.063   8.408   3.199
  118    HE2  LYS  15           HE2      LYS  15   2.335  10.060   4.295
  119    HE3  LYS  15           HE3      LYS  15   0.668  10.095   4.862
  120    HZ1  LYS  15           HZ1      LYS  15   2.513   7.770   4.994
  121    HZ2  LYS  15           HZ2      LYS  15   0.897   7.755   5.489
  122    HZ3  LYS  15           HZ3      LYS  15   2.016   8.730   6.295
  123    HA   PRO  16           HA       PRO  16  -0.135   6.413  -3.184
  124    HB2  PRO  16           HB2      PRO  16   1.049   4.153  -3.980
  125    HB3  PRO  16           HB3      PRO  16   1.996   5.595  -3.594
  126    HG2  PRO  16           HG2      PRO  16   1.509   3.152  -1.941
  127    HG3  PRO  16           HG3      PRO  16   3.001   4.071  -2.163
  128    HD2  PRO  16           HD2      PRO  16   1.324   4.327   0.004
  129    HD3  PRO  16           HD3      PRO  16   2.449   5.580  -0.545
  130    H    CYS  17           H        CYS  17  -0.830   4.045  -0.802
  131    HA   CYS  17           HA       CYS  17  -2.405   2.315  -2.438
  132    HB2  CYS  17           HB2      CYS  17  -1.269   1.570  -0.368
  133    HB3  CYS  17           HB3      CYS  17  -2.361   2.587   0.569
  134    H    LYS  18           H        LYS  18  -3.096   4.995  -0.231
  135    HA   LYS  18           HA       LYS  18  -5.893   4.687  -0.227
  136    HB2  LYS  18           HB2      LYS  18  -5.971   6.944   0.660
  137    HB3  LYS  18           HB3      LYS  18  -4.684   6.042   1.432
  138    HG2  LYS  18           HG2      LYS  18  -3.039   7.154   0.046
  139    HG3  LYS  18           HG3      LYS  18  -4.318   8.025  -0.801
  140    HD2  LYS  18           HD2      LYS  18  -3.991   8.227   2.177
  141    HD3  LYS  18           HD3      LYS  18  -3.038   9.231   1.090
  142    HE2  LYS  18           HE2      LYS  18  -4.952  10.483   1.804
  143    HE3  LYS  18           HE3      LYS  18  -5.154  10.079   0.103
  144    HZ1  LYS  18           HZ1      LYS  18  -6.401   8.519   2.298
  145    HZ2  LYS  18           HZ2      LYS  18  -6.750   8.438   0.644
  146    HZ3  LYS  18           HZ3      LYS  18  -7.169   9.811   1.530
  147    H    LYS  19           H        LYS  19  -3.691   6.206  -2.466
  148    HA   LYS  19           HA       LYS  19  -5.833   7.563  -3.884
  149    HB2  LYS  19           HB2      LYS  19  -4.160   8.607  -5.165
  150    HB3  LYS  19           HB3      LYS  19  -3.486   8.489  -3.550
  151    HG2  LYS  19           HG2      LYS  19  -2.210   6.500  -4.264
  152    HG3  LYS  19           HG3      LYS  19  -2.824   6.741  -5.901
  153    HD2  LYS  19           HD2      LYS  19  -1.822   9.010  -5.895
  154    HD3  LYS  19           HD3      LYS  19  -1.128   8.664  -4.311
  155    HE2  LYS  19           HE2      LYS  19   0.563   8.294  -5.952
  156    HE3  LYS  19           HE3      LYS  19   0.057   6.724  -5.334
  157    HZ1  LYS  19           HZ1      LYS  19  -1.314   6.431  -7.298
  158    HZ2  LYS  19           HZ2      LYS  19   0.293   6.708  -7.737
  159    HZ3  LYS  19           HZ3      LYS  19  -0.847   7.948  -7.884
  160    H    ALA  20           H        ALA  20  -4.275   4.622  -3.812
  161    HA   ALA  20           HA       ALA  20  -4.761   3.754  -6.494
  162    HB1  ALA  20           HB1      ALA  20  -4.321   2.164  -3.963
  163    HB2  ALA  20           HB2      ALA  20  -3.078   2.657  -5.119
  164    HB3  ALA  20           HB3      ALA  20  -4.321   1.501  -5.602
  165    H    GLY  21           H        GLY  21  -6.723   4.331  -3.805
  166    HA2  GLY  21           HA2      GLY  21  -9.065   4.264  -3.820
  167    HA3  GLY  21           HA3      GLY  21  -9.004   3.143  -5.172
  168    H    MET  22           H        MET  22  -6.842   2.277  -2.746
  169    HA   MET  22           HA       MET  22  -8.628   0.106  -1.963
  170    HB2  MET  22           HB2      MET  22  -5.652   0.431  -1.538
  171    HB3  MET  22           HB3      MET  22  -6.597  -0.953  -1.034
  172    HG2  MET  22           HG2      MET  22  -6.229  -0.031  -3.869
  173    HG3  MET  22           HG3      MET  22  -5.405  -1.385  -3.100
  174    HE1  MET  22           HE1      MET  22  -6.165  -2.971  -5.090
  175    HE2  MET  22           HE2      MET  22  -6.996  -1.616  -5.856
  176    HE3  MET  22           HE3      MET  22  -7.841  -3.147  -5.614
  177    H    ARG  23           H        ARG  23  -7.862  -0.642   0.485
  178    HA   ARG  23           HA       ARG  23  -8.943   1.589   2.015
  179    HB2  ARG  23           HB2      ARG  23  -9.926  -0.743   2.103
  180    HB3  ARG  23           HB3      ARG  23  -8.487  -1.229   2.983
  181    HG2  ARG  23           HG2      ARG  23  -9.111  -0.165   4.876
  182    HG3  ARG  23           HG3      ARG  23  -9.958   1.115   4.010
  183    HD2  ARG  23           HD2      ARG  23 -11.418  -0.448   5.326
  184    HD3  ARG  23           HD3      ARG  23 -11.845  -0.265   3.628
  185    HE   ARG  23           HE       ARG  23 -10.429  -2.437   3.432
  186   HH11  ARG  23          HH11      ARG  23 -12.551  -1.589   6.089
  187   HH12  ARG  23          HH12      ARG  23 -12.999  -3.235   6.416
  188   HH21  ARG  23          HH21      ARG  23 -11.028  -4.591   3.854
  189   HH22  ARG  23          HH22      ARG  23 -12.138  -4.943   5.141
  190    H    PHE  24           H        PHE  24  -6.564  -0.901   2.971
  191    HA   PHE  24           HA       PHE  24  -4.814   1.286   3.873
  192    HB2  PHE  24           HB2      PHE  24  -4.332  -1.210   5.289
  193    HB3  PHE  24           HB3      PHE  24  -4.566   0.407   5.932
  194    HD1  PHE  24           HD1      PHE  24  -6.198  -2.674   4.914
  195    HD2  PHE  24           HD2      PHE  24  -6.689   1.068   6.842
  196    HE1  PHE  24           HE1      PHE  24  -8.370  -3.413   5.743
  197    HE2  PHE  24           HE2      PHE  24  -8.872   0.334   7.721
  198    HZ   PHE  24           HZ       PHE  24  -9.718  -1.918   7.175
  199    H    GLY  25           H        GLY  25  -2.534   0.356   4.215
  200    HA2  GLY  25           HA2      GLY  25  -1.863  -1.603   2.145
  201    HA3  GLY  25           HA3      GLY  25  -1.071  -0.031   2.142
  202    H    LYS  26           H        LYS  26  -0.833  -3.165   3.153
  203    HA   LYS  26           HA       LYS  26   0.741  -2.588   5.544
  204    HB2  LYS  26           HB2      LYS  26   0.803  -5.018   5.848
  205    HB3  LYS  26           HB3      LYS  26  -0.851  -4.456   5.648
  206    HG2  LYS  26           HG2      LYS  26  -0.829  -5.188   3.325
  207    HG3  LYS  26           HG3      LYS  26   0.843  -5.721   3.507
  208    HD2  LYS  26           HD2      LYS  26  -0.735  -7.594   3.672
  209    HD3  LYS  26           HD3      LYS  26   0.158  -7.359   5.173
  210    HE2  LYS  26           HE2      LYS  26  -1.719  -6.317   6.214
  211    HE3  LYS  26           HE3      LYS  26  -2.596  -6.239   4.687
  212    HZ1  LYS  26           HZ1      LYS  26  -1.835  -8.744   6.087
  213    HZ2  LYS  26           HZ2      LYS  26  -2.747  -8.630   4.667
  214    HZ3  LYS  26           HZ3      LYS  26  -3.372  -8.039   6.120
  215    H    CYS  27           H        CYS  27   2.914  -3.469   5.729
  216    HA   CYS  27           HA       CYS  27   4.351  -2.987   3.273
  217    HB2  CYS  27           HB2      CYS  27   4.933  -2.380   5.851
  218    HB3  CYS  27           HB3      CYS  27   5.871  -3.859   5.649
  219    H    ILE  28           H        ILE  28   4.528  -4.576   1.869
  220    HA   ILE  28           HA       ILE  28   4.756  -7.325   2.818
  221    HB   ILE  28           HB       ILE  28   3.393  -6.108   0.662
  222   HG12  ILE  28          HG12      ILE  28   2.495  -8.315   0.291
  223   HG13  ILE  28          HG13      ILE  28   3.838  -9.053   1.162
  224   HG21  ILE  28          HG21      ILE  28   5.564  -7.937  -0.322
  225   HG22  ILE  28          HG22      ILE  28   5.361  -6.232  -0.712
  226   HG23  ILE  28          HG23      ILE  28   4.173  -7.412  -1.270
  227   HD11  ILE  28          HD11      ILE  28   1.905  -7.140   2.429
  228   HD12  ILE  28          HD12      ILE  28   3.068  -8.192   3.231
  229   HD13  ILE  28          HD13      ILE  28   1.670  -8.884   2.410
  230    H    ASN  29           H        ASN  29   6.364  -8.679   1.531
  231    HA   ASN  29           HA       ASN  29   8.930  -7.715   2.086
  232    HB2  ASN  29           HB2      ASN  29   8.270  -9.967   0.181
  233    HB3  ASN  29           HB3      ASN  29   9.773  -9.732   1.066
  234   HD21  ASN  29          HD21      ASN  29   6.555 -10.916   1.167
  235   HD22  ASN  29          HD22      ASN  29   6.621 -11.579   2.766
  236    H    GLY  30           H        GLY  30   9.031  -5.679   1.033
  237    HA2  GLY  30           HA2      GLY  30  10.400  -4.647  -0.614
  238    HA3  GLY  30           HA3      GLY  30   9.960  -5.922  -1.738
  239    H    LYS  31           H        LYS  31   7.022  -5.494  -0.734
  240    HA   LYS  31           HA       LYS  31   6.603  -3.292  -2.652
  241    HB2  LYS  31           HB2      LYS  31   5.171  -5.946  -2.601
  242    HB3  LYS  31           HB3      LYS  31   4.668  -4.573  -3.571
  243    HG2  LYS  31           HG2      LYS  31   7.331  -5.958  -3.794
  244    HG3  LYS  31           HG3      LYS  31   5.945  -6.253  -4.842
  245    HD2  LYS  31           HD2      LYS  31   7.355  -3.603  -4.512
  246    HD3  LYS  31           HD3      LYS  31   7.593  -4.722  -5.851
  247    HE2  LYS  31           HE2      LYS  31   5.003  -3.354  -5.129
  248    HE3  LYS  31           HE3      LYS  31   6.072  -2.903  -6.453
  249    HZ1  LYS  31           HZ1      LYS  31   4.159  -4.259  -7.159
  250    HZ2  LYS  31           HZ2      LYS  31   4.725  -5.539  -6.212
  251    HZ3  LYS  31           HZ3      LYS  31   5.640  -4.989  -7.522
  252    H    CYS  32           H        CYS  32   4.558  -2.258  -2.594
  253    HA   CYS  32           HA       CYS  32   3.410  -2.087   0.078
  254    HB2  CYS  32           HB2      CYS  32   4.004  -0.030  -1.184
  255    HB3  CYS  32           HB3      CYS  32   2.853  -0.476  -2.435
  256    H    ASP  33           H        ASP  33   1.971  -3.615   0.506
  257    HA   ASP  33           HA       ASP  33   0.178  -4.542  -1.637
  258    HB2  ASP  33           HB2      ASP  33   1.542  -6.241  -0.416
  259    HB3  ASP  33           HB3      ASP  33   0.688  -5.805   1.059
  260    H    CYS  34           H        CYS  34  -1.912  -4.036  -1.607
  261    HA   CYS  34           HA       CYS  34  -2.862  -2.445   0.648
  262    HB2  CYS  34           HB2      CYS  34  -3.826  -2.712  -2.186
  263    HB3  CYS  34           HB3      CYS  34  -4.711  -1.831  -0.953
  264    H    THR  35           H        THR  35  -4.889  -2.726   1.575
  265    HA   THR  35           HA       THR  35  -6.070  -5.400   1.198
  266    HB   THR  35           HB       THR  35  -6.550  -3.387   3.385
  267    HG1  THR  35           HG1      THR  35  -4.493  -5.104   2.978
  268   HG21  THR  35          HG21      THR  35  -8.396  -4.966   3.055
  269   HG22  THR  35          HG22      THR  35  -7.572  -5.232   4.593
  270   HG23  THR  35          HG23      THR  35  -7.265  -6.309   3.231
  271    HA   PRO  36           HA       PRO  36  -9.435  -3.198  -0.768
  272    HB2  PRO  36           HB2      PRO  36 -10.957  -5.422  -1.285
  273    HB3  PRO  36           HB3      PRO  36  -9.626  -4.872  -2.297
  274    HG2  PRO  36           HG2      PRO  36  -9.789  -7.197  -0.550
  275    HG3  PRO  36           HG3      PRO  36  -8.612  -6.829  -1.817
  276    HD2  PRO  36           HD2      PRO  36  -8.315  -6.590   1.025
  277    HD3  PRO  36           HD3      PRO  36  -7.114  -6.272  -0.236
  278    H    LYS  37           H        LYS  37 -11.701  -2.807  -0.384
  279    HA   LYS  37           HA       LYS  37 -12.417  -3.211   2.393
  280    HB2  LYS  37           HB2      LYS  37 -12.588  -0.956   1.653
  281    HB3  LYS  37           HB3      LYS  37 -13.458  -1.425   0.198
  282    HG2  LYS  37           HG2      LYS  37 -15.382  -2.004   1.463
  283    HG3  LYS  37           HG3      LYS  37 -14.533  -1.740   2.986
  284    HD2  LYS  37           HD2      LYS  37 -15.985   0.151   2.472
  285    HD3  LYS  37           HD3      LYS  37 -14.290   0.637   2.431
  286    HE2  LYS  37           HE2      LYS  37 -14.297   0.494  -0.003
  287    HE3  LYS  37           HE3      LYS  37 -15.976  -0.045   0.022
  288    HZ1  LYS  37           HZ1      LYS  37 -15.794   2.315  -0.471
  289    HZ2  LYS  37           HZ2      LYS  37 -14.998   2.587   0.994
  290    HZ3  LYS  37           HZ3      LYS  37 -16.608   2.070   0.989
  Start of MODEL    7
    1    H1   VAL   1           H1       VAL   1  -4.303  -7.186  -4.833
    2    H2   VAL   1           H2       VAL   1  -4.095  -6.590  -6.398
    3    H3   VAL   1           H3       VAL   1  -5.631  -7.042  -5.866
    4    HA   VAL   1           HA       VAL   1  -5.356  -4.642  -5.896
    5    HB   VAL   1           HB       VAL   1  -6.046  -4.208  -3.540
    6   HG11  VAL   1          HG11      VAL   1  -8.106  -5.483  -3.681
    7   HG12  VAL   1          HG12      VAL   1  -7.377  -6.571  -4.860
    8   HG13  VAL   1          HG13      VAL   1  -7.652  -4.879  -5.273
    9   HG21  VAL   1          HG21      VAL   1  -4.576  -5.961  -2.566
   10   HG22  VAL   1          HG22      VAL   1  -5.690  -7.177  -3.187
   11   HG23  VAL   1          HG23      VAL   1  -6.237  -6.010  -1.983
   12    H    GLY   2           H        GLY   2  -2.617  -5.505  -6.026
   13    HA2  GLY   2           HA2      GLY   2  -1.296  -4.152  -3.802
   14    HA3  GLY   2           HA3      GLY   2  -0.510  -5.059  -5.087
   15    H    ILE   3           H        ILE   3   0.581  -2.686  -4.411
   16    HA   ILE   3           HA       ILE   3  -0.177  -0.975  -6.676
   17    HB   ILE   3           HB       ILE   3   0.587   0.994  -5.367
   18   HG12  ILE   3          HG12      ILE   3   0.546  -0.949  -3.047
   19   HG13  ILE   3          HG13      ILE   3   1.976  -0.174  -3.718
   20   HG21  ILE   3          HG21      ILE   3  -1.438   1.143  -3.953
   21   HG22  ILE   3          HG22      ILE   3  -1.731  -0.570  -4.249
   22   HG23  ILE   3          HG23      ILE   3  -1.767   0.576  -5.590
   23   HD11  ILE   3          HD11      ILE   3   1.116   2.005  -3.039
   24   HD12  ILE   3          HD12      ILE   3   1.271   0.907  -1.666
   25   HD13  ILE   3          HD13      ILE   3  -0.316   1.227  -2.366
   26    H    ASN   4           H        ASN   4   1.552   0.333  -7.508
   27    HA   ASN   4           HA       ASN   4   3.924  -1.254  -7.868
   28    HB2  ASN   4           HB2      ASN   4   4.525   0.609  -9.485
   29    HB3  ASN   4           HB3      ASN   4   3.030  -0.256  -9.834
   30   HD21  ASN   4          HD21      ASN   4   4.394   2.725  -8.598
   31   HD22  ASN   4          HD22      ASN   4   2.963   3.679  -8.802
   32    H    VAL   5           H        VAL   5   3.974  -0.538  -5.280
   33    HA   VAL   5           HA       VAL   5   6.107   1.489  -5.173
   34    HB   VAL   5           HB       VAL   5   3.983   1.142  -3.051
   35   HG11  VAL   5          HG11      VAL   5   4.869   3.317  -2.242
   36   HG12  VAL   5          HG12      VAL   5   6.169   3.178  -3.425
   37   HG13  VAL   5          HG13      VAL   5   6.023   1.988  -2.131
   38   HG21  VAL   5          HG21      VAL   5   2.992   3.203  -3.805
   39   HG22  VAL   5          HG22      VAL   5   3.024   2.047  -5.137
   40   HG23  VAL   5          HG23      VAL   5   4.201   3.361  -5.078
   41    H    LYS   6           H        LYS   6   7.833   0.956  -3.908
   42    HA   LYS   6           HA       LYS   6   7.891  -1.724  -2.782
   43    HB2  LYS   6           HB2      LYS   6  10.024   0.378  -3.163
   44    HB3  LYS   6           HB3      LYS   6  10.316  -1.163  -2.365
   45    HG2  LYS   6           HG2      LYS   6   9.693  -2.347  -4.397
   46    HG3  LYS   6           HG3      LYS   6   9.364  -0.811  -5.199
   47    HD2  LYS   6           HD2      LYS   6  11.675  -0.167  -5.023
   48    HD3  LYS   6           HD3      LYS   6  12.041  -1.600  -4.059
   49    HE2  LYS   6           HE2      LYS   6  11.513  -3.034  -5.935
   50    HE3  LYS   6           HE3      LYS   6  11.034  -1.639  -6.900
   51    HZ1  LYS   6           HZ1      LYS   6  13.271  -2.417  -7.427
   52    HZ2  LYS   6           HZ2      LYS   6  13.763  -2.119  -5.838
   53    HZ3  LYS   6           HZ3      LYS   6  13.288  -0.835  -6.831
   54    H    CYS   7           H        CYS   7   7.916  -2.188  -0.656
   55    HA   CYS   7           HA       CYS   7   6.827  -0.222   1.077
   56    HB2  CYS   7           HB2      CYS   7   6.144  -2.531   1.328
   57    HB3  CYS   7           HB3      CYS   7   7.801  -3.015   1.691
   58    H    LYS   8           H        LYS   8   8.535   1.384   1.079
   59    HA   LYS   8           HA       LYS   8  10.738   0.772   2.866
   60    HB2  LYS   8           HB2      LYS   8   9.892   3.385   1.591
   61    HB3  LYS   8           HB3      LYS   8  11.374   3.120   2.499
   62    HG2  LYS   8           HG2      LYS   8  12.241   1.671   0.828
   63    HG3  LYS   8           HG3      LYS   8  10.694   1.622  -0.016
   64    HD2  LYS   8           HD2      LYS   8  12.379   4.098   0.341
   65    HD3  LYS   8           HD3      LYS   8  12.370   3.091  -1.105
   66    HE2  LYS   8           HE2      LYS   8  10.019   4.595   0.042
   67    HE3  LYS   8           HE3      LYS   8  10.934   5.034  -1.395
   68    HZ1  LYS   8           HZ1      LYS   8  10.204   2.963  -2.433
   69    HZ2  LYS   8           HZ2      LYS   8   8.890   3.931  -1.994
   70    HZ3  LYS   8           HZ3      LYS   8   9.289   2.581  -1.060
   71    H    HIS   9           H        HIS   9  10.075   0.530   4.916
   72    HA   HIS   9           HA       HIS   9   9.214   0.990   6.971
   73    HB2  HIS   9           HB2      HIS   9   8.174   3.668   6.090
   74    HB3  HIS   9           HB3      HIS   9   8.796   3.186   7.662
   75    HD1  HIS   9           HD1      HIS   9   9.802   4.516   4.370
   76    HD2  HIS   9           HD2      HIS   9  11.655   3.216   7.852
   77    HE1  HIS   9           HE1      HIS   9  12.202   5.144   4.110
   78    HE2  HIS   9           HE2      HIS   9  13.278   4.528   6.314
   79    H    SER  10           H        SER  10   7.447  -0.052   7.601
   80    HA   SER  10           HA       SER  10   5.179  -0.279   5.898
   81    HB2  SER  10           HB2      SER  10   4.221  -1.579   7.863
   82    HB3  SER  10           HB3      SER  10   5.736  -2.184   7.197
   83    HG   SER  10           HG       SER  10   5.267  -0.827   9.621
   84    H    GLY  11           H        GLY  11   4.691   1.933   5.684
   85    HA2  GLY  11           HA2      GLY  11   2.490   2.837   7.143
   86    HA3  GLY  11           HA3      GLY  11   3.920   3.656   7.768
   87    H    GLN  12           H        GLN  12   5.185   3.391   5.061
   88    HA   GLN  12           HA       GLN  12   4.327   5.904   4.007
   89    HB2  GLN  12           HB2      GLN  12   6.677   5.131   3.920
   90    HB3  GLN  12           HB3      GLN  12   6.200   3.847   2.819
   91    HG2  GLN  12           HG2      GLN  12   5.408   5.619   1.243
   92    HG3  GLN  12           HG3      GLN  12   6.135   6.807   2.320
   93   HE21  GLN  12          HE21      GLN  12   7.611   7.524   0.871
   94   HE22  GLN  12          HE22      GLN  12   8.952   6.586   0.323
   95    H    CYS  13           H        CYS  13   3.514   2.605   3.411
   96    HA   CYS  13           HA       CYS  13   2.856   2.843   0.657
   97    HB2  CYS  13           HB2      CYS  13   1.932   0.767   2.650
   98    HB3  CYS  13           HB3      CYS  13   1.874   0.626   0.901
   99    H    LEU  14           H        LEU  14   1.316   3.957   3.410
  100    HA   LEU  14           HA       LEU  14  -1.401   3.467   2.803
  101    HB2  LEU  14           HB2      LEU  14  -0.092   5.614   4.459
  102    HB3  LEU  14           HB3      LEU  14  -1.821   5.360   4.383
  103    HG   LEU  14           HG       LEU  14   0.230   3.423   5.458
  104   HD11  LEU  14          HD11      LEU  14  -1.943   4.998   6.827
  105   HD12  LEU  14          HD12      LEU  14  -0.208   5.302   6.935
  106   HD13  LEU  14          HD13      LEU  14  -0.887   3.813   7.594
  107   HD21  LEU  14          HD21      LEU  14  -1.536   2.177   4.381
  108   HD22  LEU  14          HD22      LEU  14  -2.762   3.146   5.198
  109   HD23  LEU  14          HD23      LEU  14  -1.727   2.068   6.131
  110    H    LYS  15           H        LYS  15   0.659   6.296   2.251
  111    HA   LYS  15           HA       LYS  15  -1.231   7.997   1.169
  112    HB2  LYS  15           HB2      LYS  15   1.718   7.814   0.573
  113    HB3  LYS  15           HB3      LYS  15   0.692   9.124   0.015
  114    HG2  LYS  15           HG2      LYS  15   0.195   9.723   2.327
  115    HG3  LYS  15           HG3      LYS  15   1.218   8.397   2.889
  116    HD2  LYS  15           HD2      LYS  15   3.158   9.416   1.853
  117    HD3  LYS  15           HD3      LYS  15   2.155  10.702   1.182
  118    HE2  LYS  15           HE2      LYS  15   3.331  11.483   3.154
  119    HE3  LYS  15           HE3      LYS  15   1.594  11.437   3.450
  120    HZ1  LYS  15           HZ1      LYS  15   3.487   9.315   4.292
  121    HZ2  LYS  15           HZ2      LYS  15   1.846   9.423   4.685
  122    HZ3  LYS  15           HZ3      LYS  15   2.938  10.556   5.300
  123    HA   PRO  16           HA       PRO  16  -0.262   6.598  -3.315
  124    HB2  PRO  16           HB2      PRO  16   1.083   4.274  -3.729
  125    HB3  PRO  16           HB3      PRO  16   1.882   5.845  -3.609
  126    HG2  PRO  16           HG2      PRO  16   1.589   3.704  -1.542
  127    HG3  PRO  16           HG3      PRO  16   2.994   4.716  -1.917
  128    HD2  PRO  16           HD2      PRO  16   1.347   5.203   0.184
  129    HD3  PRO  16           HD3      PRO  16   2.205   6.487  -0.687
  130    H    CYS  17           H        CYS  17  -1.008   4.319  -0.825
  131    HA   CYS  17           HA       CYS  17  -2.483   2.488  -2.454
  132    HB2  CYS  17           HB2      CYS  17  -1.455   1.923  -0.238
  133    HB3  CYS  17           HB3      CYS  17  -2.683   2.922   0.532
  134    H    LYS  18           H        LYS  18  -3.203   5.407  -0.666
  135    HA   LYS  18           HA       LYS  18  -5.996   5.293  -0.744
  136    HB2  LYS  18           HB2      LYS  18  -4.764   6.914   0.613
  137    HB3  LYS  18           HB3      LYS  18  -4.160   7.691  -0.847
  138    HG2  LYS  18           HG2      LYS  18  -6.511   8.122  -1.499
  139    HG3  LYS  18           HG3      LYS  18  -6.990   7.535   0.097
  140    HD2  LYS  18           HD2      LYS  18  -5.541   9.280   1.120
  141    HD3  LYS  18           HD3      LYS  18  -5.232   9.914  -0.497
  142    HE2  LYS  18           HE2      LYS  18  -7.687  10.233  -0.769
  143    HE3  LYS  18           HE3      LYS  18  -7.891   9.750   0.913
  144    HZ1  LYS  18           HZ1      LYS  18  -6.542  11.626   1.588
  145    HZ2  LYS  18           HZ2      LYS  18  -7.848  12.155   0.658
  146    HZ3  LYS  18           HZ3      LYS  18  -6.306  12.078  -0.024
  147    H    LYS  19           H        LYS  19  -3.596   6.322  -3.075
  148    HA   LYS  19           HA       LYS  19  -5.485   7.454  -4.927
  149    HB2  LYS  19           HB2      LYS  19  -2.547   6.790  -5.113
  150    HB3  LYS  19           HB3      LYS  19  -3.455   7.428  -6.473
  151    HG2  LYS  19           HG2      LYS  19  -3.133   8.810  -3.817
  152    HG3  LYS  19           HG3      LYS  19  -2.183   9.155  -5.264
  153    HD2  LYS  19           HD2      LYS  19  -4.361   9.646  -6.437
  154    HD3  LYS  19           HD3      LYS  19  -5.144   9.548  -4.860
  155    HE2  LYS  19           HE2      LYS  19  -2.919  11.448  -5.596
  156    HE3  LYS  19           HE3      LYS  19  -4.629  11.864  -5.506
  157    HZ1  LYS  19           HZ1      LYS  19  -2.981  10.900  -3.235
  158    HZ2  LYS  19           HZ2      LYS  19  -4.605  11.351  -3.159
  159    HZ3  LYS  19           HZ3      LYS  19  -3.424  12.504  -3.511
  160    H    ALA  20           H        ALA  20  -4.998   4.465  -3.954
  161    HA   ALA  20           HA       ALA  20  -5.288   3.197  -6.595
  162    HB1  ALA  20           HB1      ALA  20  -4.453   2.088  -3.920
  163    HB2  ALA  20           HB2      ALA  20  -3.454   2.282  -5.366
  164    HB3  ALA  20           HB3      ALA  20  -4.756   1.092  -5.347
  165    H    GLY  21           H        GLY  21  -7.021   4.296  -3.994
  166    HA2  GLY  21           HA2      GLY  21  -9.252   4.118  -3.472
  167    HA3  GLY  21           HA3      GLY  21  -9.437   3.024  -4.833
  168    H    MET  22           H        MET  22  -7.043   2.313  -2.433
  169    HA   MET  22           HA       MET  22  -8.637  -0.024  -1.673
  170    HB2  MET  22           HB2      MET  22  -5.712   0.491  -1.125
  171    HB3  MET  22           HB3      MET  22  -6.578  -1.016  -0.907
  172    HG2  MET  22           HG2      MET  22  -6.040   0.343  -3.528
  173    HG3  MET  22           HG3      MET  22  -5.214  -1.075  -2.888
  174    HE1  MET  22           HE1      MET  22  -5.717  -2.278  -5.231
  175    HE2  MET  22           HE2      MET  22  -6.591  -0.850  -5.786
  176    HE3  MET  22           HE3      MET  22  -7.337  -2.443  -5.905
  177    H    ARG  23           H        ARG  23  -7.773  -0.741   0.735
  178    HA   ARG  23           HA       ARG  23  -8.879   1.418   2.355
  179    HB2  ARG  23           HB2      ARG  23  -9.708  -0.989   2.459
  180    HB3  ARG  23           HB3      ARG  23  -8.216  -1.360   3.309
  181    HG2  ARG  23           HG2      ARG  23  -8.889  -0.370   5.210
  182    HG3  ARG  23           HG3      ARG  23  -9.759   0.909   4.364
  183    HD2  ARG  23           HD2      ARG  23 -11.227  -0.633   5.648
  184    HD3  ARG  23           HD3      ARG  23 -11.611  -0.544   3.933
  185    HE   ARG  23           HE       ARG  23 -10.455  -2.698   3.689
  186   HH11  ARG  23          HH11      ARG  23 -11.495  -1.738   6.896
  187   HH12  ARG  23          HH12      ARG  23 -11.608  -3.367   7.478
  188   HH21  ARG  23          HH21      ARG  23 -10.615  -4.829   4.459
  189   HH22  ARG  23          HH22      ARG  23 -11.104  -5.122   6.098
  190    H    PHE  24           H        PHE  24  -6.333  -0.959   3.159
  191    HA   PHE  24           HA       PHE  24  -4.621   1.306   3.943
  192    HB2  PHE  24           HB2      PHE  24  -3.971  -1.163   5.339
  193    HB3  PHE  24           HB3      PHE  24  -4.211   0.454   5.986
  194    HD1  PHE  24           HD1      PHE  24  -5.805  -2.695   5.105
  195    HD2  PHE  24           HD2      PHE  24  -6.301   1.069   6.997
  196    HE1  PHE  24           HE1      PHE  24  -7.894  -3.484   6.085
  197    HE2  PHE  24           HE2      PHE  24  -8.398   0.284   8.021
  198    HZ   PHE  24           HZ       PHE  24  -9.201  -2.003   7.569
  199    H    GLY  25           H        GLY  25  -2.277   0.419   4.202
  200    HA2  GLY  25           HA2      GLY  25  -1.688  -1.391   1.957
  201    HA3  GLY  25           HA3      GLY  25  -0.801   0.109   2.187
  202    H    LYS  26           H        LYS  26  -0.981  -3.172   2.961
  203    HA   LYS  26           HA       LYS  26   0.624  -2.956   5.378
  204    HB2  LYS  26           HB2      LYS  26   0.317  -5.342   5.583
  205    HB3  LYS  26           HB3      LYS  26  -1.237  -4.609   5.214
  206    HG2  LYS  26           HG2      LYS  26  -0.834  -5.213   2.809
  207    HG3  LYS  26           HG3      LYS  26   0.559  -6.145   3.360
  208    HD2  LYS  26           HD2      LYS  26  -2.302  -6.563   4.215
  209    HD3  LYS  26           HD3      LYS  26  -1.408  -7.561   3.069
  210    HE2  LYS  26           HE2      LYS  26   0.179  -8.158   4.832
  211    HE3  LYS  26           HE3      LYS  26  -0.719  -7.162   5.977
  212    HZ1  LYS  26           HZ1      LYS  26  -2.654  -8.591   5.603
  213    HZ2  LYS  26           HZ2      LYS  26  -1.338  -9.456   6.215
  214    HZ3  LYS  26           HZ3      LYS  26  -1.733  -9.574   4.576
  215    H    CYS  27           H        CYS  27   2.684  -3.983   5.569
  216    HA   CYS  27           HA       CYS  27   4.277  -3.612   3.211
  217    HB2  CYS  27           HB2      CYS  27   4.940  -3.010   5.599
  218    HB3  CYS  27           HB3      CYS  27   5.228  -4.731   5.837
  219    H    ILE  28           H        ILE  28   4.541  -5.112   1.722
  220    HA   ILE  28           HA       ILE  28   4.646  -7.919   2.538
  221    HB   ILE  28           HB       ILE  28   3.482  -6.565   0.245
  222   HG12  ILE  28          HG12      ILE  28   2.194  -8.579   0.057
  223   HG13  ILE  28          HG13      ILE  28   3.374  -9.488   0.991
  224   HG21  ILE  28          HG21      ILE  28   5.531  -8.669  -0.295
  225   HG22  ILE  28          HG22      ILE  28   5.311  -7.108  -1.092
  226   HG23  ILE  28          HG23      ILE  28   4.160  -8.416  -1.380
  227   HD11  ILE  28          HD11      ILE  28   1.955  -7.165   2.194
  228   HD12  ILE  28          HD12      ILE  28   2.703  -8.547   2.990
  229   HD13  ILE  28          HD13      ILE  28   1.186  -8.747   2.111
  230    H    ASN  29           H        ASN  29   6.295  -9.187   1.272
  231    HA   ASN  29           HA       ASN  29   8.840  -8.241   1.906
  232    HB2  ASN  29           HB2      ASN  29   8.201 -10.403  -0.108
  233    HB3  ASN  29           HB3      ASN  29   9.704 -10.208   0.793
  234   HD21  ASN  29          HD21      ASN  29   8.219  -9.414   3.219
  235   HD22  ASN  29          HD22      ASN  29   7.548 -10.871   3.849
  236    H    GLY  30           H        GLY  30   8.990  -6.167   0.993
  237    HA2  GLY  30           HA2      GLY  30  10.410  -5.023  -0.524
  238    HA3  GLY  30           HA3      GLY  30  10.054  -6.243  -1.735
  239    H    LYS  31           H        LYS  31   7.077  -5.898  -0.834
  240    HA   LYS  31           HA       LYS  31   6.678  -3.603  -2.647
  241    HB2  LYS  31           HB2      LYS  31   6.366  -6.053  -3.555
  242    HB3  LYS  31           HB3      LYS  31   4.833  -5.961  -2.701
  243    HG2  LYS  31           HG2      LYS  31   4.445  -5.371  -4.970
  244    HG3  LYS  31           HG3      LYS  31   4.311  -3.899  -4.004
  245    HD2  LYS  31           HD2      LYS  31   6.587  -3.273  -4.634
  246    HD3  LYS  31           HD3      LYS  31   6.742  -4.756  -5.577
  247    HE2  LYS  31           HE2      LYS  31   4.749  -2.548  -6.087
  248    HE3  LYS  31           HE3      LYS  31   6.247  -2.797  -6.980
  249    HZ1  LYS  31           HZ1      LYS  31   3.931  -4.655  -6.874
  250    HZ2  LYS  31           HZ2      LYS  31   5.393  -4.988  -7.652
  251    HZ3  LYS  31           HZ3      LYS  31   4.417  -3.724  -8.197
  252    H    CYS  32           H        CYS  32   4.812  -2.361  -2.329
  253    HA   CYS  32           HA       CYS  32   3.531  -2.624   0.259
  254    HB2  CYS  32           HB2      CYS  32   3.132  -0.625  -1.982
  255    HB3  CYS  32           HB3      CYS  32   2.292  -0.574  -0.440
  256    H    ASP  33           H        ASP  33   1.907  -3.985   0.511
  257    HA   ASP  33           HA       ASP  33   0.168  -4.556  -1.805
  258    HB2  ASP  33           HB2      ASP  33   1.435  -6.496  -0.843
  259    HB3  ASP  33           HB3      ASP  33   0.564  -6.249   0.665
  260    H    CYS  34           H        CYS  34  -1.869  -3.865  -1.688
  261    HA   CYS  34           HA       CYS  34  -2.656  -2.518   0.757
  262    HB2  CYS  34           HB2      CYS  34  -3.779  -2.494  -2.028
  263    HB3  CYS  34           HB3      CYS  34  -4.573  -1.702  -0.678
  264    H    THR  35           H        THR  35  -4.635  -2.761   1.764
  265    HA   THR  35           HA       THR  35  -5.906  -5.383   1.427
  266    HB   THR  35           HB       THR  35  -6.371  -3.267   3.526
  267    HG1  THR  35           HG1      THR  35  -4.390  -5.161   3.233
  268   HG21  THR  35          HG21      THR  35  -8.230  -4.832   3.269
  269   HG22  THR  35          HG22      THR  35  -7.398  -5.075   4.810
  270   HG23  THR  35          HG23      THR  35  -7.118  -6.190   3.474
  271    HA   PRO  36           HA       PRO  36  -9.135  -3.240  -0.811
  272    HB2  PRO  36           HB2      PRO  36 -10.802  -5.598  -0.457
  273    HB3  PRO  36           HB3      PRO  36 -10.099  -4.942  -1.932
  274    HG2  PRO  36           HG2      PRO  36  -9.289  -7.278  -0.776
  275    HG3  PRO  36           HG3      PRO  36  -8.253  -6.269  -1.794
  276    HD2  PRO  36           HD2      PRO  36  -8.317  -6.535   1.175
  277    HD3  PRO  36           HD3      PRO  36  -6.938  -6.273   0.090
  278    H    LYS  37           H        LYS  37 -11.121  -2.300  -0.343
  279    HA   LYS  37           HA       LYS  37 -11.725  -1.941   2.409
  280    HB2  LYS  37           HB2      LYS  37 -13.258  -1.097  -0.058
  281    HB3  LYS  37           HB3      LYS  37 -13.628  -0.576   1.579
  282    HG2  LYS  37           HG2      LYS  37 -11.396   0.463   1.722
  283    HG3  LYS  37           HG3      LYS  37 -11.102   0.000   0.046
  284    HD2  LYS  37           HD2      LYS  37 -12.991   1.356  -0.677
  285    HD3  LYS  37           HD3      LYS  37 -13.340   1.787   0.997
  286    HE2  LYS  37           HE2      LYS  37 -11.132   2.858   1.162
  287    HE3  LYS  37           HE3      LYS  37 -10.827   2.463  -0.528
  288    HZ1  LYS  37           HZ1      LYS  37 -13.045   4.181   0.439
  289    HZ2  LYS  37           HZ2      LYS  37 -12.664   3.857  -1.176
  290    HZ3  LYS  37           HZ3      LYS  37 -11.596   4.749  -0.218
  Start of MODEL    8
    1    H1   VAL   1           H1       VAL   1  -2.853  -6.593  -2.802
    2    H2   VAL   1           H2       VAL   1  -2.956  -7.926  -3.840
    3    H3   VAL   1           H3       VAL   1  -4.360  -7.281  -3.154
    4    HA   VAL   1           HA       VAL   1  -4.136  -6.667  -5.470
    5    HB   VAL   1           HB       VAL   1  -4.587  -4.341  -5.283
    6   HG11  VAL   1          HG11      VAL   1  -6.322  -5.679  -4.333
    7   HG12  VAL   1          HG12      VAL   1  -6.122  -4.249  -3.322
    8   HG13  VAL   1          HG13      VAL   1  -5.462  -5.797  -2.799
    9   HG21  VAL   1          HG21      VAL   1  -2.554  -3.748  -4.013
   10   HG22  VAL   1          HG22      VAL   1  -3.331  -4.346  -2.546
   11   HG23  VAL   1          HG23      VAL   1  -4.012  -2.964  -3.409
   12    H    GLY   2           H        GLY   2  -1.348  -5.859  -3.475
   13    HA2  GLY   2           HA2      GLY   2   0.802  -5.270  -4.015
   14    HA3  GLY   2           HA3      GLY   2   0.539  -6.231  -5.458
   15    H    ILE   3           H        ILE   3   0.644  -2.998  -4.131
   16    HA   ILE   3           HA       ILE   3  -0.013  -1.799  -6.689
   17    HB   ILE   3           HB       ILE   3   0.340   0.362  -5.572
   18   HG12  ILE   3          HG12      ILE   3   0.970  -1.298  -3.119
   19   HG13  ILE   3          HG13      ILE   3   2.128  -0.326  -4.021
   20   HG21  ILE   3          HG21      ILE   3  -1.525   0.207  -3.967
   21   HG22  ILE   3          HG22      ILE   3  -1.414  -1.552  -4.039
   22   HG23  ILE   3          HG23      ILE   3  -1.860  -0.637  -5.479
   23   HD11  ILE   3          HD11      ILE   3   1.041   1.694  -3.365
   24   HD12  ILE   3          HD12      ILE   3   1.314   0.718  -1.922
   25   HD13  ILE   3          HD13      ILE   3  -0.294   0.800  -2.640
   26    H    ASN   4           H        ASN   4   1.569   0.124  -7.222
   27    HA   ASN   4           HA       ASN   4   4.046  -1.216  -7.928
   28    HB2  ASN   4           HB2      ASN   4   4.362   0.611  -9.514
   29    HB3  ASN   4           HB3      ASN   4   2.735  -0.042  -9.664
   30   HD21  ASN   4          HD21      ASN   4   3.751   2.545 -10.463
   31   HD22  ASN   4          HD22      ASN   4   2.800   3.722  -9.626
   32    H    VAL   5           H        VAL   5   4.044  -0.714  -5.271
   33    HA   VAL   5           HA       VAL   5   5.957   1.497  -4.982
   34    HB   VAL   5           HB       VAL   5   3.675   0.888  -3.093
   35   HG11  VAL   5          HG11      VAL   5   4.426   2.829  -1.810
   36   HG12  VAL   5          HG12      VAL   5   5.830   2.988  -2.870
   37   HG13  VAL   5          HG13      VAL   5   5.657   1.565  -1.842
   38   HG21  VAL   5          HG21      VAL   5   3.170   3.323  -3.656
   39   HG22  VAL   5          HG22      VAL   5   2.746   2.092  -4.839
   40   HG23  VAL   5          HG23      VAL   5   4.197   3.073  -5.061
   41    H    LYS   6           H        LYS   6   7.458   1.252  -3.324
   42    HA   LYS   6           HA       LYS   6   7.989  -1.564  -2.668
   43    HB2  LYS   6           HB2      LYS   6   9.817   0.846  -2.697
   44    HB3  LYS   6           HB3      LYS   6  10.311  -0.767  -2.207
   45    HG2  LYS   6           HG2      LYS   6   9.847  -1.607  -4.442
   46    HG3  LYS   6           HG3      LYS   6   9.300  -0.004  -4.940
   47    HD2  LYS   6           HD2      LYS   6  11.527   0.899  -4.480
   48    HD3  LYS   6           HD3      LYS   6  12.073  -0.697  -3.971
   49    HE2  LYS   6           HE2      LYS   6  11.038  -0.032  -6.723
   50    HE3  LYS   6           HE3      LYS   6  12.743  -0.110  -6.285
   51    HZ1  LYS   6           HZ1      LYS   6  12.423  -2.440  -5.678
   52    HZ2  LYS   6           HZ2      LYS   6  12.034  -2.161  -7.299
   53    HZ3  LYS   6           HZ3      LYS   6  10.804  -2.355  -6.162
   54    H    CYS   7           H        CYS   7   8.191  -2.255  -0.590
   55    HA   CYS   7           HA       CYS   7   7.043  -0.668   1.469
   56    HB2  CYS   7           HB2      CYS   7   6.670  -2.977   1.700
   57    HB3  CYS   7           HB3      CYS   7   8.367  -3.369   1.438
   58    H    LYS   8           H        LYS   8   8.483   1.206   1.438
   59    HA   LYS   8           HA       LYS   8  10.982   0.779   2.864
   60    HB2  LYS   8           HB2      LYS   8   9.610   3.300   1.910
   61    HB3  LYS   8           HB3      LYS   8  11.135   3.283   2.782
   62    HG2  LYS   8           HG2      LYS   8  12.129   1.941   0.972
   63    HG3  LYS   8           HG3      LYS   8  10.606   2.042   0.089
   64    HD2  LYS   8           HD2      LYS   8  12.207   4.446   0.953
   65    HD3  LYS   8           HD3      LYS   8  12.360   3.683  -0.630
   66    HE2  LYS   8           HE2      LYS   8  10.026   4.143  -1.105
   67    HE3  LYS   8           HE3      LYS   8   9.811   4.827   0.504
   68    HZ1  LYS   8           HZ1      LYS   8  11.577   5.910  -1.622
   69    HZ2  LYS   8           HZ2      LYS   8  11.407   6.558  -0.070
   70    HZ3  LYS   8           HZ3      LYS   8  10.093   6.561  -1.133
   71    H    HIS   9           H        HIS   9   7.757   2.088   3.318
   72    HA   HIS   9           HA       HIS   9   7.907   1.622   6.189
   73    HB2  HIS   9           HB2      HIS   9   6.951   4.302   5.140
   74    HB3  HIS   9           HB3      HIS   9   7.171   3.830   6.818
   75    HD1  HIS   9           HD1      HIS   9   9.073   4.909   3.779
   76    HD2  HIS   9           HD2      HIS   9   9.773   4.102   7.793
   77    HE1  HIS   9           HE1      HIS   9  11.436   5.616   4.201
   78    HE2  HIS   9           HE2      HIS   9  11.883   5.013   6.605
   79    H    SER  10           H        SER  10   5.943   0.891   6.920
   80    HA   SER  10           HA       SER  10   4.021   0.137   4.985
   81    HB2  SER  10           HB2      SER  10   2.706  -0.659   6.960
   82    HB3  SER  10           HB3      SER  10   4.363  -1.255   6.922
   83    HG   SER  10           HG       SER  10   4.684  -0.313   8.764
   84    H    GLY  11           H        GLY  11   4.139   2.733   7.371
   85    HA2  GLY  11           HA2      GLY  11   1.489   3.676   6.898
   86    HA3  GLY  11           HA3      GLY  11   2.792   4.587   7.649
   87    H    GLN  12           H        GLN  12   4.421   3.911   5.178
   88    HA   GLN  12           HA       GLN  12   3.709   6.252   3.651
   89    HB2  GLN  12           HB2      GLN  12   6.033   5.880   4.046
   90    HB3  GLN  12           HB3      GLN  12   5.941   4.235   3.447
   91    HG2  GLN  12           HG2      GLN  12   5.516   5.081   1.200
   92    HG3  GLN  12           HG3      GLN  12   5.609   6.732   1.814
   93   HE21  GLN  12          HE21      GLN  12   7.570   7.628   2.254
   94   HE22  GLN  12          HE22      GLN  12   9.073   6.872   1.850
   95    H    CYS  13           H        CYS  13   3.241   2.853   3.508
   96    HA   CYS  13           HA       CYS  13   2.807   2.607   0.705
   97    HB2  CYS  13           HB2      CYS  13   1.818   0.894   3.000
   98    HB3  CYS  13           HB3      CYS  13   1.730   0.450   1.303
   99    H    LEU  14           H        LEU  14   1.047   3.882   3.294
  100    HA   LEU  14           HA       LEU  14  -1.604   3.525   2.290
  101    HB2  LEU  14           HB2      LEU  14  -0.457   4.268   4.672
  102    HB3  LEU  14           HB3      LEU  14  -1.115   5.782   4.087
  103    HG   LEU  14           HG       LEU  14  -3.339   4.807   3.952
  104   HD11  LEU  14          HD11      LEU  14  -1.855   2.308   4.655
  105   HD12  LEU  14          HD12      LEU  14  -3.083   2.575   3.414
  106   HD13  LEU  14          HD13      LEU  14  -3.549   2.500   5.112
  107   HD21  LEU  14          HD21      LEU  14  -2.018   4.261   6.607
  108   HD22  LEU  14          HD22      LEU  14  -3.743   4.507   6.331
  109   HD23  LEU  14          HD23      LEU  14  -2.608   5.827   6.057
  110    H    LYS  15           H        LYS  15   0.875   5.973   2.083
  111    HA   LYS  15           HA       LYS  15  -0.638   8.175   1.358
  112    HB2  LYS  15           HB2      LYS  15   2.146   7.640   0.330
  113    HB3  LYS  15           HB3      LYS  15   1.383   9.195   0.586
  114    HG2  LYS  15           HG2      LYS  15   2.091   7.235   2.755
  115    HG3  LYS  15           HG3      LYS  15   3.045   8.647   2.305
  116    HD2  LYS  15           HD2      LYS  15   0.188   8.768   3.262
  117    HD3  LYS  15           HD3      LYS  15   1.592   8.969   4.311
  118    HE2  LYS  15           HE2      LYS  15   2.311  10.885   2.941
  119    HE3  LYS  15           HE3      LYS  15   0.868  10.697   1.946
  120    HZ1  LYS  15           HZ1      LYS  15  -0.491  11.148   3.874
  121    HZ2  LYS  15           HZ2      LYS  15   0.600  12.414   3.633
  122    HZ3  LYS  15           HZ3      LYS  15   0.878  11.281   4.855
  123    HA   PRO  16           HA       PRO  16  -0.391   7.063  -3.263
  124    HB2  PRO  16           HB2      PRO  16   0.638   4.684  -4.062
  125    HB3  PRO  16           HB3      PRO  16   1.619   6.141  -3.877
  126    HG2  PRO  16           HG2      PRO  16   1.407   3.762  -2.114
  127    HG3  PRO  16           HG3      PRO  16   2.791   4.819  -2.424
  128    HD2  PRO  16           HD2      PRO  16   1.156   4.911  -0.177
  129    HD3  PRO  16           HD3      PRO  16   2.252   6.190  -0.720
  130    H    CYS  17           H        CYS  17  -1.120   4.706  -0.874
  131    HA   CYS  17           HA       CYS  17  -2.689   2.918  -2.390
  132    HB2  CYS  17           HB2      CYS  17  -1.685   2.547  -0.085
  133    HB3  CYS  17           HB3      CYS  17  -3.021   3.497   0.551
  134    H    LYS  18           H        LYS  18  -3.372   6.016  -0.939
  135    HA   LYS  18           HA       LYS  18  -6.168   5.913  -0.916
  136    HB2  LYS  18           HB2      LYS  18  -6.149   8.296  -0.856
  137    HB3  LYS  18           HB3      LYS  18  -4.755   7.748   0.056
  138    HG2  LYS  18           HG2      LYS  18  -3.256   8.399  -1.628
  139    HG3  LYS  18           HG3      LYS  18  -4.543   8.557  -2.824
  140    HD2  LYS  18           HD2      LYS  18  -3.860  10.756  -2.140
  141    HD3  LYS  18           HD3      LYS  18  -5.470  10.443  -1.494
  142    HE2  LYS  18           HE2      LYS  18  -4.146  11.503   0.206
  143    HE3  LYS  18           HE3      LYS  18  -4.428   9.827   0.668
  144    HZ1  LYS  18           HZ1      LYS  18  -2.208   9.287  -0.178
  145    HZ2  LYS  18           HZ2      LYS  18  -2.153  10.424   1.072
  146    HZ3  LYS  18           HZ3      LYS  18  -1.944  10.923  -0.529
  147    H    LYS  19           H        LYS  19  -3.918   6.273  -3.567
  148    HA   LYS  19           HA       LYS  19  -6.038   7.096  -5.399
  149    HB2  LYS  19           HB2      LYS  19  -3.084   6.653  -5.873
  150    HB3  LYS  19           HB3      LYS  19  -4.224   7.182  -7.103
  151    HG2  LYS  19           HG2      LYS  19  -4.728   9.131  -5.510
  152    HG3  LYS  19           HG3      LYS  19  -3.235   8.664  -4.697
  153    HD2  LYS  19           HD2      LYS  19  -3.508   9.402  -7.611
  154    HD3  LYS  19           HD3      LYS  19  -2.844  10.432  -6.343
  155    HE2  LYS  19           HE2      LYS  19  -1.715   7.755  -7.148
  156    HE3  LYS  19           HE3      LYS  19  -1.117   9.308  -7.727
  157    HZ1  LYS  19           HZ1      LYS  19  -0.491   9.909  -5.520
  158    HZ2  LYS  19           HZ2      LYS  19   0.157   8.379  -5.842
  159    HZ3  LYS  19           HZ3      LYS  19  -1.215   8.532  -4.867
  160    H    ALA  20           H        ALA  20  -4.550   4.315  -4.236
  161    HA   ALA  20           HA       ALA  20  -5.205   2.632  -6.482
  162    HB1  ALA  20           HB1      ALA  20  -4.423   1.950  -3.643
  163    HB2  ALA  20           HB2      ALA  20  -3.350   2.010  -5.043
  164    HB3  ALA  20           HB3      ALA  20  -4.613   0.783  -4.953
  165    H    GLY  21           H        GLY  21  -6.816   4.081  -3.906
  166    HA2  GLY  21           HA2      GLY  21  -9.039   4.089  -3.336
  167    HA3  GLY  21           HA3      GLY  21  -9.329   2.973  -4.664
  168    H    MET  22           H        MET  22  -7.066   2.358  -2.058
  169    HA   MET  22           HA       MET  22  -8.731   0.034  -1.374
  170    HB2  MET  22           HB2      MET  22  -5.756   0.409  -1.041
  171    HB3  MET  22           HB3      MET  22  -6.656  -1.034  -0.607
  172    HG2  MET  22           HG2      MET  22  -6.299   0.090  -3.371
  173    HG3  MET  22           HG3      MET  22  -5.540  -1.355  -2.708
  174    HE1  MET  22           HE1      MET  22  -6.393  -2.604  -4.945
  175    HE2  MET  22           HE2      MET  22  -7.236  -1.152  -5.487
  176    HE3  MET  22           HE3      MET  22  -8.090  -2.693  -5.416
  177    H    ARG  23           H        ARG  23  -7.886  -0.791   0.976
  178    HA   ARG  23           HA       ARG  23  -8.833   1.359   2.700
  179    HB2  ARG  23           HB2      ARG  23  -9.813  -0.963   2.739
  180    HB3  ARG  23           HB3      ARG  23  -8.307  -1.516   3.446
  181    HG2  ARG  23           HG2      ARG  23  -8.732  -0.547   5.461
  182    HG3  ARG  23           HG3      ARG  23  -9.733   0.726   4.764
  183    HD2  ARG  23           HD2      ARG  23 -11.025  -0.922   6.083
  184    HD3  ARG  23           HD3      ARG  23 -11.542  -0.820   4.404
  185    HE   ARG  23           HE       ARG  23  -9.637  -2.912   5.093
  186   HH11  ARG  23          HH11      ARG  23 -12.942  -2.008   4.423
  187   HH12  ARG  23          HH12      ARG  23 -13.461  -3.632   4.123
  188   HH21  ARG  23          HH21      ARG  23 -10.321  -5.061   4.721
  189   HH22  ARG  23          HH22      ARG  23 -11.970  -5.371   4.288
  190    H    PHE  24           H        PHE  24  -6.446  -1.183   3.486
  191    HA   PHE  24           HA       PHE  24  -4.707   0.951   4.529
  192    HB2  PHE  24           HB2      PHE  24  -4.087  -1.770   5.440
  193    HB3  PHE  24           HB3      PHE  24  -4.202  -0.279   6.365
  194    HD1  PHE  24           HD1      PHE  24  -5.981  -3.160   5.080
  195    HD2  PHE  24           HD2      PHE  24  -6.255   0.310   7.500
  196    HE1  PHE  24           HE1      PHE  24  -8.090  -3.988   5.985
  197    HE2  PHE  24           HE2      PHE  24  -8.372  -0.518   8.447
  198    HZ   PHE  24           HZ       PHE  24  -9.292  -2.677   7.697
  199    H    GLY  25           H        GLY  25  -2.357   0.083   4.640
  200    HA2  GLY  25           HA2      GLY  25  -1.687  -1.399   2.200
  201    HA3  GLY  25           HA3      GLY  25  -0.945   0.164   2.509
  202    H    LYS  26           H        LYS  26  -0.880  -3.179   3.158
  203    HA   LYS  26           HA       LYS  26   0.932  -2.906   5.422
  204    HB2  LYS  26           HB2      LYS  26   0.852  -5.373   5.504
  205    HB3  LYS  26           HB3      LYS  26  -0.746  -4.654   5.585
  206    HG2  LYS  26           HG2      LYS  26  -1.252  -5.288   3.372
  207    HG3  LYS  26           HG3      LYS  26   0.433  -5.679   3.025
  208    HD2  LYS  26           HD2      LYS  26  -0.894  -7.703   3.339
  209    HD3  LYS  26           HD3      LYS  26   0.334  -7.545   4.594
  210    HE2  LYS  26           HE2      LYS  26  -1.697  -8.268   5.622
  211    HE3  LYS  26           HE3      LYS  26  -1.415  -6.597   6.093
  212    HZ1  LYS  26           HZ1      LYS  26  -3.056  -5.858   4.559
  213    HZ2  LYS  26           HZ2      LYS  26  -3.744  -7.113   5.460
  214    HZ3  LYS  26           HZ3      LYS  26  -3.220  -7.400   3.881
  215    H    CYS  27           H        CYS  27   2.942  -4.172   5.398
  216    HA   CYS  27           HA       CYS  27   4.357  -3.685   2.920
  217    HB2  CYS  27           HB2      CYS  27   5.105  -4.112   5.742
  218    HB3  CYS  27           HB3      CYS  27   6.242  -4.729   4.546
  219    H    ILE  28           H        ILE  28   4.676  -5.137   1.451
  220    HA   ILE  28           HA       ILE  28   4.447  -7.978   2.148
  221    HB   ILE  28           HB       ILE  28   3.106  -6.481   0.207
  222   HG12  ILE  28          HG12      ILE  28   2.195  -8.662  -0.498
  223   HG13  ILE  28          HG13      ILE  28   3.447  -9.474   0.438
  224   HG21  ILE  28          HG21      ILE  28   5.071  -8.296  -1.168
  225   HG22  ILE  28          HG22      ILE  28   5.089  -6.534  -1.215
  226   HG23  ILE  28          HG23      ILE  28   3.740  -7.421  -1.930
  227   HD11  ILE  28          HD11      ILE  28   2.515  -8.260   2.454
  228   HD12  ILE  28          HD12      ILE  28   1.499  -9.515   1.752
  229   HD13  ILE  28          HD13      ILE  28   1.150  -7.818   1.432
  230    H    ASN  29           H        ASN  29   5.826  -9.333   0.463
  231    HA   ASN  29           HA       ASN  29   8.502  -8.848   1.085
  232    HB2  ASN  29           HB2      ASN  29   7.382 -10.577  -1.128
  233    HB3  ASN  29           HB3      ASN  29   9.030 -10.647  -0.518
  234   HD21  ASN  29          HD21      ASN  29   5.729 -11.457   0.050
  235   HD22  ASN  29          HD22      ASN  29   5.994 -12.438   1.449
  236    H    GLY  30           H        GLY  30   8.974  -6.728   0.498
  237    HA2  GLY  30           HA2      GLY  30  10.430  -5.529  -0.921
  238    HA3  GLY  30           HA3      GLY  30   9.869  -6.493  -2.276
  239    H    LYS  31           H        LYS  31   7.009  -5.945  -1.173
  240    HA   LYS  31           HA       LYS  31   6.809  -3.364  -2.609
  241    HB2  LYS  31           HB2      LYS  31   4.980  -5.754  -2.901
  242    HB3  LYS  31           HB3      LYS  31   4.732  -4.193  -3.658
  243    HG2  LYS  31           HG2      LYS  31   7.105  -5.967  -4.163
  244    HG3  LYS  31           HG3      LYS  31   5.656  -5.920  -5.166
  245    HD2  LYS  31           HD2      LYS  31   6.084  -3.453  -5.467
  246    HD3  LYS  31           HD3      LYS  31   7.648  -3.713  -4.692
  247    HE2  LYS  31           HE2      LYS  31   6.674  -5.097  -7.187
  248    HE3  LYS  31           HE3      LYS  31   7.810  -3.753  -7.142
  249    HZ1  LYS  31           HZ1      LYS  31   8.972  -5.837  -7.360
  250    HZ2  LYS  31           HZ2      LYS  31   8.238  -6.444  -5.966
  251    HZ3  LYS  31           HZ3      LYS  31   9.323  -5.156  -5.854
  252    H    CYS  32           H        CYS  32   4.665  -2.297  -2.295
  253    HA   CYS  32           HA       CYS  32   3.617  -2.746   0.403
  254    HB2  CYS  32           HB2      CYS  32   3.140  -0.509  -1.593
  255    HB3  CYS  32           HB3      CYS  32   2.311  -0.647  -0.050
  256    H    ASP  33           H        ASP  33   1.899  -4.048   0.609
  257    HA   ASP  33           HA       ASP  33   0.097  -4.265  -1.708
  258    HB2  ASP  33           HB2      ASP  33   1.003  -6.418  -1.137
  259    HB3  ASP  33           HB3      ASP  33   0.540  -6.216   0.554
  260    H    CYS  34           H        CYS  34  -1.828  -3.422  -1.562
  261    HA   CYS  34           HA       CYS  34  -2.712  -2.409   1.015
  262    HB2  CYS  34           HB2      CYS  34  -3.658  -1.910  -1.793
  263    HB3  CYS  34           HB3      CYS  34  -4.504  -1.299  -0.383
  264    H    THR  35           H        THR  35  -4.742  -2.791   1.859
  265    HA   THR  35           HA       THR  35  -5.948  -5.331   1.050
  266    HB   THR  35           HB       THR  35  -6.423  -3.605   3.472
  267    HG1  THR  35           HG1      THR  35  -4.595  -5.602   2.867
  268   HG21  THR  35          HG21      THR  35  -8.371  -4.947   2.969
  269   HG22  THR  35          HG22      THR  35  -7.551  -5.594   4.392
  270   HG23  THR  35          HG23      THR  35  -7.368  -6.394   2.832
  271    HA   PRO  36           HA       PRO  36  -8.956  -2.730  -0.966
  272    HB2  PRO  36           HB2      PRO  36 -10.374  -4.657  -2.133
  273    HB3  PRO  36           HB3      PRO  36  -8.748  -4.259  -2.674
  274    HG2  PRO  36           HG2      PRO  36  -9.630  -6.484  -0.878
  275    HG3  PRO  36           HG3      PRO  36  -8.530  -6.541  -2.270
  276    HD2  PRO  36           HD2      PRO  36  -7.651  -6.393   0.278
  277    HD3  PRO  36           HD3      PRO  36  -6.767  -5.671  -1.076
  278    H    LYS  37           H        LYS  37 -10.958  -2.018  -0.531
  279    HA   LYS  37           HA       LYS  37 -12.136  -2.638   1.962
  280    HB2  LYS  37           HB2      LYS  37 -13.238  -1.036  -0.356
  281    HB3  LYS  37           HB3      LYS  37 -13.860  -1.015   1.288
  282    HG2  LYS  37           HG2      LYS  37 -11.922   0.054   2.112
  283    HG3  LYS  37           HG3      LYS  37 -11.035  -0.243   0.619
  284    HD2  LYS  37           HD2      LYS  37 -11.720   2.076   0.724
  285    HD3  LYS  37           HD3      LYS  37 -12.584   1.254  -0.575
  286    HE2  LYS  37           HE2      LYS  37 -14.123   2.666   0.603
  287    HE3  LYS  37           HE3      LYS  37 -14.518   0.986   0.953
  288    HZ1  LYS  37           HZ1      LYS  37 -14.612   2.278   2.954
  289    HZ2  LYS  37           HZ2      LYS  37 -13.037   2.851   2.723
  290    HZ3  LYS  37           HZ3      LYS  37 -13.302   1.216   3.056
  Start of MODEL    9
    1    H1   VAL   1           H1       VAL   1  -4.311  -7.376  -4.883
    2    H2   VAL   1           H2       VAL   1  -4.123  -6.714  -6.430
    3    H3   VAL   1           H3       VAL   1  -5.651  -7.197  -5.898
    4    HA   VAL   1           HA       VAL   1  -5.356  -4.792  -5.850
    5    HB   VAL   1           HB       VAL   1  -6.123  -4.425  -3.531
    6   HG11  VAL   1          HG11      VAL   1  -8.158  -5.681  -3.748
    7   HG12  VAL   1          HG12      VAL   1  -7.383  -6.845  -4.816
    8   HG13  VAL   1          HG13      VAL   1  -7.634  -5.184  -5.354
    9   HG21  VAL   1          HG21      VAL   1  -4.628  -6.133  -2.522
   10   HG22  VAL   1          HG22      VAL   1  -5.686  -7.383  -3.174
   11   HG23  VAL   1          HG23      VAL   1  -6.302  -6.239  -1.982
   12    H    GLY   2           H        GLY   2  -2.602  -6.245  -5.366
   13    HA2  GLY   2           HA2      GLY   2  -1.387  -4.416  -3.474
   14    HA3  GLY   2           HA3      GLY   2  -0.566  -5.673  -4.391
   15    H    ILE   3           H        ILE   3   0.396  -3.019  -4.063
   16    HA   ILE   3           HA       ILE   3   0.004  -1.906  -6.758
   17    HB   ILE   3           HB       ILE   3   0.731   0.278  -5.733
   18   HG12  ILE   3          HG12      ILE   3   0.254  -1.260  -3.172
   19   HG13  ILE   3          HG13      ILE   3   1.785  -0.582  -3.714
   20   HG21  ILE   3          HG21      ILE   3  -1.483   0.717  -4.692
   21   HG22  ILE   3          HG22      ILE   3  -1.820  -1.012  -4.780
   22   HG23  ILE   3          HG23      ILE   3  -1.578  -0.084  -6.261
   23   HD11  ILE   3          HD11      ILE   3   0.954   1.646  -3.445
   24   HD12  ILE   3          HD12      ILE   3   0.672   0.743  -1.957
   25   HD13  ILE   3          HD13      ILE   3  -0.659   1.044  -3.074
   26    H    ASN   4           H        ASN   4   1.883  -0.683  -7.574
   27    HA   ASN   4           HA       ASN   4   4.192  -2.408  -7.406
   28    HB2  ASN   4           HB2      ASN   4   4.979  -1.376  -9.374
   29    HB3  ASN   4           HB3      ASN   4   3.234  -1.440  -9.566
   30   HD21  ASN   4          HD21      ASN   4   2.694   0.825  -7.816
   31   HD22  ASN   4          HD22      ASN   4   3.213   2.233  -8.666
   32    H    VAL   5           H        VAL   5   3.473  -0.506  -5.186
   33    HA   VAL   5           HA       VAL   5   5.708   1.351  -5.156
   34    HB   VAL   5           HB       VAL   5   3.615   0.805  -3.042
   35   HG11  VAL   5          HG11      VAL   5   4.330   2.926  -2.061
   36   HG12  VAL   5          HG12      VAL   5   5.592   3.071  -3.286
   37   HG13  VAL   5          HG13      VAL   5   5.655   1.763  -2.105
   38   HG21  VAL   5          HG21      VAL   5   2.551   2.846  -3.803
   39   HG22  VAL   5          HG22      VAL   5   2.665   1.686  -5.128
   40   HG23  VAL   5          HG23      VAL   5   3.781   3.049  -5.049
   41    H    LYS   6           H        LYS   6   7.577   1.031  -4.100
   42    HA   LYS   6           HA       LYS   6   8.135  -1.543  -2.985
   43    HB2  LYS   6           HB2      LYS   6   9.786   0.991  -2.984
   44    HB3  LYS   6           HB3      LYS   6  10.362  -0.589  -2.481
   45    HG2  LYS   6           HG2      LYS   6  10.016  -1.450  -4.731
   46    HG3  LYS   6           HG3      LYS   6   9.404   0.123  -5.243
   47    HD2  LYS   6           HD2      LYS   6  11.709  -0.090  -5.918
   48    HD3  LYS   6           HD3      LYS   6  11.586   1.125  -4.645
   49    HE2  LYS   6           HE2      LYS   6  12.302  -0.556  -2.998
   50    HE3  LYS   6           HE3      LYS   6  12.461  -1.742  -4.293
   51    HZ1  LYS   6           HZ1      LYS   6  14.593  -0.780  -3.748
   52    HZ2  LYS   6           HZ2      LYS   6  14.008   0.780  -4.035
   53    HZ3  LYS   6           HZ3      LYS   6  14.144  -0.320  -5.310
   54    H    CYS   7           H        CYS   7   8.165  -2.164  -0.930
   55    HA   CYS   7           HA       CYS   7   6.913  -0.613   1.088
   56    HB2  CYS   7           HB2      CYS   7   6.678  -2.940   1.329
   57    HB3  CYS   7           HB3      CYS   7   8.399  -3.232   1.097
   58    H    LYS   8           H        LYS   8   8.014   1.283   1.616
   59    HA   LYS   8           HA       LYS   8  10.808   1.080   2.380
   60    HB2  LYS   8           HB2      LYS   8   8.904   3.429   2.270
   61    HB3  LYS   8           HB3      LYS   8  10.584   3.542   2.776
   62    HG2  LYS   8           HG2      LYS   8  11.333   2.837   0.593
   63    HG3  LYS   8           HG3      LYS   8   9.668   2.584   0.072
   64    HD2  LYS   8           HD2      LYS   8   9.195   4.902   0.152
   65    HD3  LYS   8           HD3      LYS   8  10.687   5.246   1.025
   66    HE2  LYS   8           HE2      LYS   8  10.557   4.176  -1.789
   67    HE3  LYS   8           HE3      LYS   8  10.768   5.876  -1.376
   68    HZ1  LYS   8           HZ1      LYS   8  12.892   4.887  -1.826
   69    HZ2  LYS   8           HZ2      LYS   8  12.621   3.652  -0.707
   70    HZ3  LYS   8           HZ3      LYS   8  12.808   5.247  -0.176
   71    H    HIS   9           H        HIS   9   7.654   1.857   3.793
   72    HA   HIS   9           HA       HIS   9   8.554   0.938   6.398
   73    HB2  HIS   9           HB2      HIS   9   7.335   3.700   6.116
   74    HB3  HIS   9           HB3      HIS   9   7.925   2.947   7.593
   75    HD1  HIS   9           HD1      HIS   9   9.019   4.799   4.582
   76    HD2  HIS   9           HD2      HIS   9  10.753   2.940   7.865
   77    HE1  HIS   9           HE1      HIS   9  11.447   5.364   4.456
   78    HE2  HIS   9           HE2      HIS   9  12.447   4.410   6.574
   79    H    SER  10           H        SER  10   6.921  -0.064   7.439
   80    HA   SER  10           HA       SER  10   4.499  -0.501   6.014
   81    HB2  SER  10           HB2      SER  10   3.911  -1.882   8.030
   82    HB3  SER  10           HB3      SER  10   5.446  -2.300   7.270
   83    HG   SER  10           HG       SER  10   5.642  -0.381   9.235
   84    H    GLY  11           H        GLY  11   2.830   0.814   5.975
   85    HA2  GLY  11           HA2      GLY  11   1.061   1.948   7.214
   86    HA3  GLY  11           HA3      GLY  11   2.296   2.495   8.342
   87    H    GLN  12           H        GLN  12   4.175   3.028   6.110
   88    HA   GLN  12           HA       GLN  12   3.423   5.741   5.623
   89    HB2  GLN  12           HB2      GLN  12   5.783   4.972   5.912
   90    HB3  GLN  12           HB3      GLN  12   5.671   4.153   4.356
   91    HG2  GLN  12           HG2      GLN  12   5.195   6.350   3.307
   92    HG3  GLN  12           HG3      GLN  12   5.476   7.109   4.872
   93   HE21  GLN  12          HE21      GLN  12   6.922   5.511   2.163
   94   HE22  GLN  12          HE22      GLN  12   8.561   5.918   2.548
   95    H    CYS  13           H        CYS  13   2.932   2.771   4.028
   96    HA   CYS  13           HA       CYS  13   2.734   3.867   1.372
   97    HB2  CYS  13           HB2      CYS  13   3.535   1.537   1.879
   98    HB3  CYS  13           HB3      CYS  13   1.882   1.130   2.326
   99    H    LEU  14           H        LEU  14   0.853   4.350   3.880
  100    HA   LEU  14           HA       LEU  14  -1.744   3.685   2.940
  101    HB2  LEU  14           HB2      LEU  14  -0.573   5.181   5.161
  102    HB3  LEU  14           HB3      LEU  14  -2.094   5.836   4.604
  103    HG   LEU  14           HG       LEU  14  -2.390   4.268   6.474
  104   HD11  LEU  14          HD11      LEU  14  -4.073   4.589   4.661
  105   HD12  LEU  14          HD12      LEU  14  -4.208   3.070   5.545
  106   HD13  LEU  14          HD13      LEU  14  -3.486   3.096   3.935
  107   HD21  LEU  14          HD21      LEU  14  -1.414   2.131   4.586
  108   HD22  LEU  14          HD22      LEU  14  -1.931   1.928   6.259
  109   HD23  LEU  14          HD23      LEU  14  -0.447   2.808   5.896
  110    H    LYS  15           H        LYS  15   0.431   6.327   2.416
  111    HA   LYS  15           HA       LYS  15  -1.449   8.165   1.371
  112    HB2  LYS  15           HB2      LYS  15   1.508   8.005   0.782
  113    HB3  LYS  15           HB3      LYS  15   0.469   9.392   0.509
  114    HG2  LYS  15           HG2      LYS  15   1.118   8.188   3.191
  115    HG3  LYS  15           HG3      LYS  15   1.842   9.646   2.510
  116    HD2  LYS  15           HD2      LYS  15  -0.370  10.703   2.456
  117    HD3  LYS  15           HD3      LYS  15  -1.076   9.250   3.163
  118    HE2  LYS  15           HE2      LYS  15  -0.705  10.963   4.860
  119    HE3  LYS  15           HE3      LYS  15   0.297   9.543   5.158
  120    HZ1  LYS  15           HZ1      LYS  15   1.555  11.563   5.477
  121    HZ2  LYS  15           HZ2      LYS  15   1.200  12.081   3.909
  122    HZ3  LYS  15           HZ3      LYS  15   2.167  10.716   4.148
  123    HA   PRO  16           HA       PRO  16  -0.240   6.627  -3.016
  124    HB2  PRO  16           HB2      PRO  16   1.139   4.315  -3.290
  125    HB3  PRO  16           HB3      PRO  16   1.932   5.887  -3.135
  126    HG2  PRO  16           HG2      PRO  16   1.445   3.795  -1.048
  127    HG3  PRO  16           HG3      PRO  16   2.913   4.741  -1.362
  128    HD2  PRO  16           HD2      PRO  16   1.183   5.372   0.615
  129    HD3  PRO  16           HD3      PRO  16   2.097   6.602  -0.278
  130    H    CYS  17           H        CYS  17  -1.166   4.460  -0.485
  131    HA   CYS  17           HA       CYS  17  -2.414   2.543  -2.222
  132    HB2  CYS  17           HB2      CYS  17  -1.456   1.959   0.002
  133    HB3  CYS  17           HB3      CYS  17  -2.756   2.875   0.759
  134    H    LYS  18           H        LYS  18  -3.498   5.322  -0.310
  135    HA   LYS  18           HA       LYS  18  -6.257   4.742  -0.583
  136    HB2  LYS  18           HB2      LYS  18  -6.635   7.053   0.146
  137    HB3  LYS  18           HB3      LYS  18  -5.493   6.216   1.181
  138    HG2  LYS  18           HG2      LYS  18  -3.680   7.434   0.360
  139    HG3  LYS  18           HG3      LYS  18  -4.574   7.976  -1.062
  140    HD2  LYS  18           HD2      LYS  18  -4.287   9.765   0.607
  141    HD3  LYS  18           HD3      LYS  18  -5.984   9.380   0.325
  142    HE2  LYS  18           HE2      LYS  18  -5.624   9.671   2.686
  143    HE3  LYS  18           HE3      LYS  18  -5.957   7.972   2.362
  144    HZ1  LYS  18           HZ1      LYS  18  -3.579   7.531   2.485
  145    HZ2  LYS  18           HZ2      LYS  18  -4.144   8.227   3.919
  146    HZ3  LYS  18           HZ3      LYS  18  -3.278   9.166   2.812
  147    H    LYS  19           H        LYS  19  -3.945   6.227  -2.697
  148    HA   LYS  19           HA       LYS  19  -5.974   7.474  -4.356
  149    HB2  LYS  19           HB2      LYS  19  -4.200   8.267  -5.721
  150    HB3  LYS  19           HB3      LYS  19  -3.631   8.373  -4.066
  151    HG2  LYS  19           HG2      LYS  19  -2.240   6.475  -4.320
  152    HG3  LYS  19           HG3      LYS  19  -2.958   6.088  -5.882
  153    HD2  LYS  19           HD2      LYS  19  -0.813   7.082  -6.263
  154    HD3  LYS  19           HD3      LYS  19  -2.049   8.231  -6.763
  155    HE2  LYS  19           HE2      LYS  19  -0.858   8.359  -4.017
  156    HE3  LYS  19           HE3      LYS  19  -0.016   9.065  -5.391
  157    HZ1  LYS  19           HZ1      LYS  19  -1.993  10.423  -5.820
  158    HZ2  LYS  19           HZ2      LYS  19  -1.332  10.723  -4.297
  159    HZ3  LYS  19           HZ3      LYS  19  -2.733   9.792  -4.437
  160    H    ALA  20           H        ALA  20  -4.454   4.511  -3.970
  161    HA   ALA  20           HA       ALA  20  -4.942   3.443  -6.593
  162    HB1  ALA  20           HB1      ALA  20  -4.320   2.082  -3.972
  163    HB2  ALA  20           HB2      ALA  20  -3.159   2.526  -5.227
  164    HB3  ALA  20           HB3      ALA  20  -4.368   1.282  -5.545
  165    H    GLY  21           H        GLY  21  -6.880   4.256  -4.009
  166    HA2  GLY  21           HA2      GLY  21  -9.198   4.052  -3.896
  167    HA3  GLY  21           HA3      GLY  21  -9.128   2.799  -5.129
  168    H    MET  22           H        MET  22  -6.839   2.184  -2.777
  169    HA   MET  22           HA       MET  22  -8.544   0.053  -1.744
  170    HB2  MET  22           HB2      MET  22  -5.551   0.388  -1.486
  171    HB3  MET  22           HB3      MET  22  -6.485  -1.007  -0.981
  172    HG2  MET  22           HG2      MET  22  -6.117  -0.030  -3.795
  173    HG3  MET  22           HG3      MET  22  -5.415  -1.473  -3.066
  174    HE1  MET  22           HE1      MET  22  -7.210  -1.202  -5.823
  175    HE2  MET  22           HE2      MET  22  -8.114  -2.713  -5.723
  176    HE3  MET  22           HE3      MET  22  -6.395  -2.686  -5.328
  177    H    ARG  23           H        ARG  23  -7.705  -0.600   0.623
  178    HA   ARG  23           HA       ARG  23  -8.655   1.685   2.156
  179    HB2  ARG  23           HB2      ARG  23  -9.623  -0.664   2.300
  180    HB3  ARG  23           HB3      ARG  23  -8.171  -1.103   3.184
  181    HG2  ARG  23           HG2      ARG  23  -8.825  -0.050   5.056
  182    HG3  ARG  23           HG3      ARG  23  -9.599   1.267   4.174
  183    HD2  ARG  23           HD2      ARG  23 -11.156  -0.226   5.458
  184    HD3  ARG  23           HD3      ARG  23 -11.534  -0.038   3.750
  185    HE   ARG  23           HE       ARG  23 -10.398  -2.251   3.455
  186   HH11  ARG  23          HH11      ARG  23 -11.842  -1.359   6.525
  187   HH12  ARG  23          HH12      ARG  23 -12.157  -2.997   6.990
  188   HH21  ARG  23          HH21      ARG  23 -10.813  -4.393   4.070
  189   HH22  ARG  23          HH22      ARG  23 -11.583  -4.727   5.585
  190    H    PHE  24           H        PHE  24  -6.261  -0.818   3.071
  191    HA   PHE  24           HA       PHE  24  -4.488   1.375   3.918
  192    HB2  PHE  24           HB2      PHE  24  -3.973  -1.155   5.277
  193    HB3  PHE  24           HB3      PHE  24  -4.127   0.462   5.946
  194    HD1  PHE  24           HD1      PHE  24  -5.882  -2.579   5.014
  195    HD2  PHE  24           HD2      PHE  24  -6.205   1.203   6.912
  196    HE1  PHE  24           HE1      PHE  24  -8.035  -3.252   5.944
  197    HE2  PHE  24           HE2      PHE  24  -8.370   0.533   7.884
  198    HZ   PHE  24           HZ       PHE  24  -9.289  -1.704   7.402
  199    H    GLY  25           H        GLY  25  -2.257   0.947   3.743
  200    HA2  GLY  25           HA2      GLY  25  -1.585  -1.024   1.682
  201    HA3  GLY  25           HA3      GLY  25  -0.687   0.455   1.993
  202    H    LYS  26           H        LYS  26  -0.820  -2.831   2.517
  203    HA   LYS  26           HA       LYS  26   0.705  -2.809   5.003
  204    HB2  LYS  26           HB2      LYS  26  -1.107  -4.511   4.511
  205    HB3  LYS  26           HB3      LYS  26  -0.050  -5.154   3.267
  206    HG2  LYS  26           HG2      LYS  26   1.667  -5.524   5.070
  207    HG3  LYS  26           HG3      LYS  26   0.389  -5.161   6.232
  208    HD2  LYS  26           HD2      LYS  26   0.336  -7.354   4.161
  209    HD3  LYS  26           HD3      LYS  26   0.619  -7.568   5.887
  210    HE2  LYS  26           HE2      LYS  26  -1.898  -6.450   4.660
  211    HE3  LYS  26           HE3      LYS  26  -1.692  -8.106   5.225
  212    HZ1  LYS  26           HZ1      LYS  26  -2.808  -6.727   6.865
  213    HZ2  LYS  26           HZ2      LYS  26  -1.487  -5.675   6.917
  214    HZ3  LYS  26           HZ3      LYS  26  -1.319  -7.271   7.452
  215    H    CYS  27           H        CYS  27   2.776  -3.801   5.127
  216    HA   CYS  27           HA       CYS  27   4.351  -3.417   2.713
  217    HB2  CYS  27           HB2      CYS  27   4.880  -3.350   5.575
  218    HB3  CYS  27           HB3      CYS  27   6.094  -4.267   4.687
  219    H    ILE  28           H        ILE  28   4.782  -4.998   1.394
  220    HA   ILE  28           HA       ILE  28   4.762  -7.757   2.403
  221    HB   ILE  28           HB       ILE  28   3.350  -6.666   0.271
  222   HG12  ILE  28          HG12      ILE  28   2.801  -9.023  -0.271
  223   HG13  ILE  28          HG13      ILE  28   4.089  -9.546   0.808
  224   HG21  ILE  28          HG21      ILE  28   5.647  -8.278  -0.861
  225   HG22  ILE  28          HG22      ILE  28   5.347  -6.554  -1.110
  226   HG23  ILE  28          HG23      ILE  28   4.211  -7.744  -1.745
  227   HD11  ILE  28          HD11      ILE  28   2.890  -8.372   2.658
  228   HD12  ILE  28          HD12      ILE  28   2.020  -9.735   1.962
  229   HD13  ILE  28          HD13      ILE  28   1.564  -8.090   1.536
  230    H    ASN  29           H        ASN  29   6.349  -9.197   1.222
  231    HA   ASN  29           HA       ASN  29   8.954  -8.494   1.414
  232    HB2  ASN  29           HB2      ASN  29   8.661 -10.744   1.028
  233    HB3  ASN  29           HB3      ASN  29   7.488 -10.483  -0.255
  234   HD21  ASN  29          HD21      ASN  29   8.145 -10.357  -2.316
  235   HD22  ASN  29          HD22      ASN  29   9.773 -10.588  -2.827
  236    H    GLY  30           H        GLY  30   9.536  -6.533   0.771
  237    HA2  GLY  30           HA2      GLY  30  10.645  -5.134  -0.694
  238    HA3  GLY  30           HA3      GLY  30  10.229  -6.226  -2.002
  239    H    LYS  31           H        LYS  31   7.264  -5.922  -1.092
  240    HA   LYS  31           HA       LYS  31   6.930  -3.457  -2.694
  241    HB2  LYS  31           HB2      LYS  31   5.295  -5.987  -2.963
  242    HB3  LYS  31           HB3      LYS  31   5.128  -4.528  -3.926
  243    HG2  LYS  31           HG2      LYS  31   7.594  -6.249  -3.877
  244    HG3  LYS  31           HG3      LYS  31   6.306  -6.387  -5.071
  245    HD2  LYS  31           HD2      LYS  31   6.706  -4.035  -5.721
  246    HD3  LYS  31           HD3      LYS  31   8.056  -3.979  -4.583
  247    HE2  LYS  31           HE2      LYS  31   9.181  -5.757  -5.803
  248    HE3  LYS  31           HE3      LYS  31   7.816  -5.886  -6.909
  249    HZ1  LYS  31           HZ1      LYS  31   8.250  -3.580  -7.592
  250    HZ2  LYS  31           HZ2      LYS  31   9.552  -4.608  -7.918
  251    HZ3  LYS  31           HZ3      LYS  31   9.621  -3.552  -6.602
  252    H    CYS  32           H        CYS  32   4.373  -3.026  -2.750
  253    HA   CYS  32           HA       CYS  32   3.498  -3.037   0.056
  254    HB2  CYS  32           HB2      CYS  32   3.997  -0.785  -0.848
  255    HB3  CYS  32           HB3      CYS  32   2.796  -1.038  -2.112
  256    H    ASP  33           H        ASP  33   1.952  -4.420   0.405
  257    HA   ASP  33           HA       ASP  33   0.025  -4.993  -1.742
  258    HB2  ASP  33           HB2      ASP  33   1.069  -6.984  -0.926
  259    HB3  ASP  33           HB3      ASP  33   0.730  -6.554   0.746
  260    H    CYS  34           H        CYS  34  -1.821  -3.999  -1.645
  261    HA   CYS  34           HA       CYS  34  -2.577  -2.620   0.792
  262    HB2  CYS  34           HB2      CYS  34  -3.493  -2.472  -2.052
  263    HB3  CYS  34           HB3      CYS  34  -4.445  -1.746  -0.767
  264    H    THR  35           H        THR  35  -4.643  -2.683   1.691
  265    HA   THR  35           HA       THR  35  -6.029  -5.253   1.352
  266    HB   THR  35           HB       THR  35  -6.431  -3.066   3.393
  267    HG1  THR  35           HG1      THR  35  -4.588  -5.071   3.201
  268   HG21  THR  35          HG21      THR  35  -8.428  -4.443   3.037
  269   HG22  THR  35          HG22      THR  35  -7.720  -4.721   4.635
  270   HG23  THR  35          HG23      THR  35  -7.471  -5.897   3.347
  271    HA   PRO  36           HA       PRO  36  -9.033  -3.060  -1.099
  272    HB2  PRO  36           HB2      PRO  36 -10.889  -5.256  -0.688
  273    HB3  PRO  36           HB3      PRO  36 -10.058  -4.756  -2.160
  274    HG2  PRO  36           HG2      PRO  36  -9.495  -7.061  -0.810
  275    HG3  PRO  36           HG3      PRO  36  -8.330  -6.204  -1.830
  276    HD2  PRO  36           HD2      PRO  36  -8.574  -6.255   1.139
  277    HD3  PRO  36           HD3      PRO  36  -7.122  -6.177   0.121
  278    H    LYS  37           H        LYS  37 -11.306  -2.427  -0.971
  279    HA   LYS  37           HA       LYS  37 -12.035  -1.548   1.663
  280    HB2  LYS  37           HB2      LYS  37 -13.496  -1.297  -0.977
  281    HB3  LYS  37           HB3      LYS  37 -13.945  -0.477   0.509
  282    HG2  LYS  37           HG2      LYS  37 -11.286  -0.095  -0.840
  283    HG3  LYS  37           HG3      LYS  37 -12.701   0.902  -1.180
  284    HD2  LYS  37           HD2      LYS  37 -12.804   1.531   1.196
  285    HD3  LYS  37           HD3      LYS  37 -11.361   0.562   1.503
  286    HE2  LYS  37           HE2      LYS  37 -10.836   2.949   1.269
  287    HE3  LYS  37           HE3      LYS  37 -10.062   1.976   0.021
  288    HZ1  LYS  37           HZ1      LYS  37 -11.770   2.649  -1.531
  289    HZ2  LYS  37           HZ2      LYS  37 -11.026   4.013  -0.868
  290    HZ3  LYS  37           HZ3      LYS  37 -12.558   3.544  -0.333
  Start of MODEL   10
    1    H1   VAL   1           H1       VAL   1  -4.326  -8.112  -5.368
    2    H2   VAL   1           H2       VAL   1  -4.524  -7.349  -6.862
    3    H3   VAL   1           H3       VAL   1  -5.842  -7.514  -5.817
    4    HA   VAL   1           HA       VAL   1  -4.970  -5.262  -5.805
    5    HB   VAL   1           HB       VAL   1  -4.743  -4.975  -3.406
    6   HG11  VAL   1          HG11      VAL   1  -6.976  -5.341  -4.168
    7   HG12  VAL   1          HG12      VAL   1  -6.768  -6.238  -2.666
    8   HG13  VAL   1          HG13      VAL   1  -6.735  -7.085  -4.209
    9   HG21  VAL   1          HG21      VAL   1  -3.171  -6.807  -3.014
   10   HG22  VAL   1          HG22      VAL   1  -4.471  -7.973  -3.254
   11   HG23  VAL   1          HG23      VAL   1  -4.529  -6.855  -1.891
   12    H    GLY   2           H        GLY   2  -3.191  -3.949  -4.607
   13    HA2  GLY   2           HA2      GLY   2  -0.809  -4.151  -3.872
   14    HA3  GLY   2           HA3      GLY   2  -0.587  -5.165  -5.292
   15    H    ILE   3           H        ILE   3   0.554  -2.510  -4.395
   16    HA   ILE   3           HA       ILE   3  -0.155  -0.955  -6.791
   17    HB   ILE   3           HB       ILE   3   0.693   1.033  -5.471
   18   HG12  ILE   3          HG12      ILE   3   0.432  -0.935  -3.186
   19   HG13  ILE   3          HG13      ILE   3   1.916  -0.165  -3.734
   20   HG21  ILE   3          HG21      ILE   3  -1.417   1.324  -4.254
   21   HG22  ILE   3          HG22      ILE   3  -1.761  -0.394  -4.455
   22   HG23  ILE   3          HG23      ILE   3  -1.674   0.658  -5.867
   23   HD11  ILE   3          HD11      ILE   3   1.032   2.006  -3.061
   24   HD12  ILE   3          HD12      ILE   3   1.080   0.875  -1.710
   25   HD13  ILE   3          HD13      ILE   3  -0.452   1.232  -2.510
   26    H    ASN   4           H        ASN   4   1.656   0.424  -7.572
   27    HA   ASN   4           HA       ASN   4   3.941  -1.260  -7.997
   28    HB2  ASN   4           HB2      ASN   4   4.628   0.290  -9.665
   29    HB3  ASN   4           HB3      ASN   4   2.879   0.186  -9.770
   30   HD21  ASN   4          HD21      ASN   4   2.419   1.919  -7.450
   31   HD22  ASN   4          HD22      ASN   4   2.805   3.519  -7.973
   32    H    VAL   5           H        VAL   5   3.723  -0.425  -5.308
   33    HA   VAL   5           HA       VAL   5   6.019   1.398  -4.996
   34    HB   VAL   5           HB       VAL   5   3.814   0.903  -2.986
   35   HG11  VAL   5          HG11      VAL   5   4.667   2.882  -1.867
   36   HG12  VAL   5          HG12      VAL   5   5.909   3.069  -3.105
   37   HG13  VAL   5          HG13      VAL   5   5.938   1.669  -2.030
   38   HG21  VAL   5          HG21      VAL   5   2.797   2.948  -3.626
   39   HG22  VAL   5          HG22      VAL   5   3.005   1.984  -5.089
   40   HG23  VAL   5          HG23      VAL   5   4.105   3.322  -4.749
   41    H    LYS   6           H        LYS   6   7.544   0.855  -3.393
   42    HA   LYS   6           HA       LYS   6   7.417  -1.922  -2.448
   43    HB2  LYS   6           HB2      LYS   6   9.760  -0.116  -3.028
   44    HB3  LYS   6           HB3      LYS   6   9.922  -1.633  -2.153
   45    HG2  LYS   6           HG2      LYS   6   9.089  -2.863  -4.067
   46    HG3  LYS   6           HG3      LYS   6   8.823  -1.357  -4.944
   47    HD2  LYS   6           HD2      LYS   6  11.522  -2.223  -3.932
   48    HD3  LYS   6           HD3      LYS   6  10.922  -2.620  -5.542
   49    HE2  LYS   6           HE2      LYS   6  11.249   0.171  -4.443
   50    HE3  LYS   6           HE3      LYS   6  12.377  -0.630  -5.534
   51    HZ1  LYS   6           HZ1      LYS   6   9.536  -0.014  -6.147
   52    HZ2  LYS   6           HZ2      LYS   6  10.633  -0.761  -7.192
   53    HZ3  LYS   6           HZ3      LYS   6  10.874   0.843  -6.722
   54    H    CYS   7           H        CYS   7   7.917  -2.378  -0.288
   55    HA   CYS   7           HA       CYS   7   6.841  -0.444   1.489
   56    HB2  CYS   7           HB2      CYS   7   6.354  -2.673   2.052
   57    HB3  CYS   7           HB3      CYS   7   8.035  -3.174   1.901
   58    H    LYS   8           H        LYS   8   8.236   1.384   1.495
   59    HA   LYS   8           HA       LYS   8  10.805   1.013   2.808
   60    HB2  LYS   8           HB2      LYS   8   9.353   3.485   1.839
   61    HB3  LYS   8           HB3      LYS   8  10.916   3.517   2.642
   62    HG2  LYS   8           HG2      LYS   8  11.910   2.240   0.846
   63    HG3  LYS   8           HG3      LYS   8  10.339   2.077   0.060
   64    HD2  LYS   8           HD2      LYS   8  11.683   4.720   0.603
   65    HD3  LYS   8           HD3      LYS   8  11.825   3.840  -0.918
   66    HE2  LYS   8           HE2      LYS   8   9.384   3.945  -1.186
   67    HE3  LYS   8           HE3      LYS   8   9.267   4.856   0.317
   68    HZ1  LYS   8           HZ1      LYS   8   9.201   6.335  -1.566
   69    HZ2  LYS   8           HZ2      LYS   8  10.666   5.731  -2.151
   70    HZ3  LYS   8           HZ3      LYS   8  10.628   6.595  -0.700
   71    H    HIS   9           H        HIS   9   7.609   2.360   3.329
   72    HA   HIS   9           HA       HIS   9   7.839   1.980   6.207
   73    HB2  HIS   9           HB2      HIS   9   6.930   4.642   5.071
   74    HB3  HIS   9           HB3      HIS   9   7.109   4.221   6.768
   75    HD1  HIS   9           HD1      HIS   9   9.107   5.076   3.717
   76    HD2  HIS   9           HD2      HIS   9   9.681   4.503   7.787
   77    HE1  HIS   9           HE1      HIS   9  11.476   5.729   4.148
   78    HE2  HIS   9           HE2      HIS   9  11.849   5.257   6.595
   79    H    SER  10           H        SER  10   5.970   1.081   6.894
   80    HA   SER  10           HA       SER  10   3.898   0.532   5.044
   81    HB2  SER  10           HB2      SER  10   2.744  -0.420   7.111
   82    HB3  SER  10           HB3      SER  10   4.327  -1.091   6.723
   83    HG   SER  10           HG       SER  10   3.593   0.650   8.804
   84    H    GLY  11           H        GLY  11   4.409   3.085   7.325
   85    HA2  GLY  11           HA2      GLY  11   1.710   4.056   7.306
   86    HA3  GLY  11           HA3      GLY  11   3.134   4.945   7.831
   87    H    GLN  12           H        GLN  12   4.597   4.620   5.396
   88    HA   GLN  12           HA       GLN  12   3.560   6.814   3.899
   89    HB2  GLN  12           HB2      GLN  12   5.947   6.516   4.044
   90    HB3  GLN  12           HB3      GLN  12   5.840   4.893   3.366
   91    HG2  GLN  12           HG2      GLN  12   5.069   5.856   1.248
   92    HG3  GLN  12           HG3      GLN  12   5.229   7.469   1.939
   93   HE21  GLN  12          HE21      GLN  12   7.627   6.905   3.401
   94   HE22  GLN  12          HE22      GLN  12   8.901   6.805   2.236
   95    H    CYS  13           H        CYS  13   3.392   3.376   3.678
   96    HA   CYS  13           HA       CYS  13   2.860   3.062   0.945
   97    HB2  CYS  13           HB2      CYS  13   3.496   1.290   2.652
   98    HB3  CYS  13           HB3      CYS  13   1.810   1.300   3.158
   99    H    LEU  14           H        LEU  14   0.939   4.273   3.483
  100    HA   LEU  14           HA       LEU  14  -1.632   3.619   2.450
  101    HB2  LEU  14           HB2      LEU  14  -0.522   5.242   4.634
  102    HB3  LEU  14           HB3      LEU  14  -2.048   5.813   3.998
  103    HG   LEU  14           HG       LEU  14  -3.081   3.643   4.496
  104   HD11  LEU  14          HD11      LEU  14  -1.186   2.181   4.214
  105   HD12  LEU  14          HD12      LEU  14  -1.836   1.991   5.844
  106   HD13  LEU  14          HD13      LEU  14  -0.364   2.928   5.584
  107   HD21  LEU  14          HD21      LEU  14  -3.080   5.432   6.181
  108   HD22  LEU  14          HD22      LEU  14  -1.597   4.770   6.863
  109   HD23  LEU  14          HD23      LEU  14  -3.085   3.825   6.907
  110    H    LYS  15           H        LYS  15   0.622   6.231   1.968
  111    HA   LYS  15           HA       LYS  15  -1.108   8.183   0.974
  112    HB2  LYS  15           HB2      LYS  15   1.806   7.711   0.359
  113    HB3  LYS  15           HB3      LYS  15   0.918   9.145  -0.126
  114    HG2  LYS  15           HG2      LYS  15   0.568   9.774   2.155
  115    HG3  LYS  15           HG3      LYS  15   1.249   8.250   2.727
  116    HD2  LYS  15           HD2      LYS  15   2.882  10.033   2.949
  117    HD3  LYS  15           HD3      LYS  15   3.417   8.866   1.740
  118    HE2  LYS  15           HE2      LYS  15   3.847  11.068   0.905
  119    HE3  LYS  15           HE3      LYS  15   2.523  10.375  -0.025
  120    HZ1  LYS  15           HZ1      LYS  15   0.965  11.640   1.330
  121    HZ2  LYS  15           HZ2      LYS  15   2.068  12.665   0.562
  122    HZ3  LYS  15           HZ3      LYS  15   2.246  12.313   2.207
  123    HA   PRO  16           HA       PRO  16  -0.468   6.647  -3.483
  124    HB2  PRO  16           HB2      PRO  16   0.853   4.362  -4.012
  125    HB3  PRO  16           HB3      PRO  16   1.689   5.907  -3.823
  126    HG2  PRO  16           HG2      PRO  16   1.388   3.662  -1.872
  127    HG3  PRO  16           HG3      PRO  16   2.806   4.668  -2.212
  128    HD2  PRO  16           HD2      PRO  16   1.133   5.051  -0.076
  129    HD3  PRO  16           HD3      PRO  16   2.107   6.331  -0.817
  130    H    CYS  17           H        CYS  17  -1.164   4.472  -0.919
  131    HA   CYS  17           HA       CYS  17  -2.589   2.556  -2.521
  132    HB2  CYS  17           HB2      CYS  17  -1.387   1.968  -0.416
  133    HB3  CYS  17           HB3      CYS  17  -2.599   2.878   0.481
  134    H    LYS  18           H        LYS  18  -3.424   5.314  -0.478
  135    HA   LYS  18           HA       LYS  18  -6.226   4.895  -0.530
  136    HB2  LYS  18           HB2      LYS  18  -6.391   7.216   0.198
  137    HB3  LYS  18           HB3      LYS  18  -5.125   6.388   1.090
  138    HG2  LYS  18           HG2      LYS  18  -3.436   7.411  -0.296
  139    HG3  LYS  18           HG3      LYS  18  -4.679   8.181  -1.281
  140    HD2  LYS  18           HD2      LYS  18  -5.434   9.440   0.694
  141    HD3  LYS  18           HD3      LYS  18  -4.169   8.675   1.656
  142    HE2  LYS  18           HE2      LYS  18  -2.474   9.658   0.173
  143    HE3  LYS  18           HE3      LYS  18  -3.752  10.452  -0.744
  144    HZ1  LYS  18           HZ1      LYS  18  -3.136  10.912   2.123
  145    HZ2  LYS  18           HZ2      LYS  18  -4.366  11.674   1.247
  146    HZ3  LYS  18           HZ3      LYS  18  -2.746  11.952   0.848
  147    H    LYS  19           H        LYS  19  -3.947   6.142  -2.790
  148    HA   LYS  19           HA       LYS  19  -5.914   7.475  -4.450
  149    HB2  LYS  19           HB2      LYS  19  -2.994   6.831  -4.922
  150    HB3  LYS  19           HB3      LYS  19  -4.000   7.755  -6.025
  151    HG2  LYS  19           HG2      LYS  19  -3.336   8.549  -3.195
  152    HG3  LYS  19           HG3      LYS  19  -2.554   9.176  -4.646
  153    HD2  LYS  19           HD2      LYS  19  -5.478   9.457  -3.949
  154    HD3  LYS  19           HD3      LYS  19  -4.258  10.719  -3.799
  155    HE2  LYS  19           HE2      LYS  19  -5.116   9.387  -6.370
  156    HE3  LYS  19           HE3      LYS  19  -5.601  10.991  -5.828
  157    HZ1  LYS  19           HZ1      LYS  19  -2.828  10.139  -6.468
  158    HZ2  LYS  19           HZ2      LYS  19  -3.279  11.675  -5.920
  159    HZ3  LYS  19           HZ3      LYS  19  -3.813  11.127  -7.426
  160    H    ALA  20           H        ALA  20  -4.904   4.386  -3.856
  161    HA   ALA  20           HA       ALA  20  -5.414   3.335  -6.527
  162    HB1  ALA  20           HB1      ALA  20  -4.677   1.983  -3.928
  163    HB2  ALA  20           HB2      ALA  20  -3.597   2.335  -5.283
  164    HB3  ALA  20           HB3      ALA  20  -4.889   1.148  -5.471
  165    H    GLY  21           H        GLY  21  -7.083   4.090  -3.691
  166    HA2  GLY  21           HA2      GLY  21  -9.400   3.991  -3.392
  167    HA3  GLY  21           HA3      GLY  21  -9.496   2.825  -4.703
  168    H    MET  22           H        MET  22  -7.062   2.125  -2.449
  169    HA   MET  22           HA       MET  22  -8.695  -0.075  -1.436
  170    HB2  MET  22           HB2      MET  22  -5.707   0.373  -1.281
  171    HB3  MET  22           HB3      MET  22  -6.551  -1.031  -0.653
  172    HG2  MET  22           HG2      MET  22  -6.374  -0.181  -3.528
  173    HG3  MET  22           HG3      MET  22  -5.573  -1.557  -2.772
  174    HE1  MET  22           HE1      MET  22  -8.272  -3.156  -5.170
  175    HE2  MET  22           HE2      MET  22  -6.554  -3.053  -4.792
  176    HE3  MET  22           HE3      MET  22  -7.398  -1.650  -5.444
  177    H    ARG  23           H        ARG  23  -7.722  -0.686   0.970
  178    HA   ARG  23           HA       ARG  23  -8.684   1.598   2.505
  179    HB2  ARG  23           HB2      ARG  23  -9.619  -0.723   2.807
  180    HB3  ARG  23           HB3      ARG  23  -8.077  -1.179   3.518
  181    HG2  ARG  23           HG2      ARG  23  -8.598  -0.274   5.475
  182    HG3  ARG  23           HG3      ARG  23  -9.185   1.212   4.726
  183    HD2  ARG  23           HD2      ARG  23 -10.939   0.015   5.981
  184    HD3  ARG  23           HD3      ARG  23 -11.321   0.195   4.272
  185    HE   ARG  23           HE       ARG  23 -10.059  -2.306   4.929
  186   HH11  ARG  23          HH11      ARG  23 -13.078  -0.568   4.732
  187   HH12  ARG  23          HH12      ARG  23 -14.048  -1.995   4.563
  188   HH21  ARG  23          HH21      ARG  23 -11.321  -4.203   4.709
  189   HH22  ARG  23          HH22      ARG  23 -13.042  -4.074   4.550
  190    H    PHE  24           H        PHE  24  -6.088  -0.802   3.092
  191    HA   PHE  24           HA       PHE  24  -4.332   1.453   3.791
  192    HB2  PHE  24           HB2      PHE  24  -3.603  -1.000   5.173
  193    HB3  PHE  24           HB3      PHE  24  -3.783   0.625   5.812
  194    HD1  PHE  24           HD1      PHE  24  -5.484  -2.491   5.038
  195    HD2  PHE  24           HD2      PHE  24  -5.751   1.241   7.030
  196    HE1  PHE  24           HE1      PHE  24  -7.490  -3.273   6.169
  197    HE2  PHE  24           HE2      PHE  24  -7.773   0.468   8.210
  198    HZ   PHE  24           HZ       PHE  24  -8.649  -1.799   7.782
  199    H    GLY  25           H        GLY  25  -2.037   0.806   3.721
  200    HA2  GLY  25           HA2      GLY  25  -1.520  -1.160   1.601
  201    HA3  GLY  25           HA3      GLY  25  -0.556   0.291   1.856
  202    H    LYS  26           H        LYS  26  -0.790  -2.980   2.480
  203    HA   LYS  26           HA       LYS  26   0.680  -2.885   4.996
  204    HB2  LYS  26           HB2      LYS  26  -1.226  -4.525   4.491
  205    HB3  LYS  26           HB3      LYS  26  -0.080  -5.341   3.441
  206    HG2  LYS  26           HG2      LYS  26   1.413  -5.701   5.343
  207    HG3  LYS  26           HG3      LYS  26   0.237  -4.918   6.399
  208    HD2  LYS  26           HD2      LYS  26  -0.272  -7.403   4.765
  209    HD3  LYS  26           HD3      LYS  26   0.104  -7.379   6.489
  210    HE2  LYS  26           HE2      LYS  26  -1.918  -6.061   6.905
  211    HE3  LYS  26           HE3      LYS  26  -2.291  -6.091   5.183
  212    HZ1  LYS  26           HZ1      LYS  26  -2.450  -8.508   5.315
  213    HZ2  LYS  26           HZ2      LYS  26  -3.553  -7.758   6.351
  214    HZ3  LYS  26           HZ3      LYS  26  -2.144  -8.450   6.977
  215    H    CYS  27           H        CYS  27   2.702  -3.867   5.246
  216    HA   CYS  27           HA       CYS  27   4.392  -3.698   2.911
  217    HB2  CYS  27           HB2      CYS  27   4.886  -4.065   5.840
  218    HB3  CYS  27           HB3      CYS  27   6.159  -4.443   4.682
  219    H    ILE  28           H        ILE  28   4.591  -5.293   1.584
  220    HA   ILE  28           HA       ILE  28   4.393  -8.043   2.581
  221    HB   ILE  28           HB       ILE  28   3.067  -6.799   0.465
  222   HG12  ILE  28          HG12      ILE  28   2.158  -9.011   0.006
  223   HG13  ILE  28          HG13      ILE  28   3.470  -9.760   0.909
  224   HG21  ILE  28          HG21      ILE  28   5.178  -8.643  -0.649
  225   HG22  ILE  28          HG22      ILE  28   5.002  -6.911  -0.967
  226   HG23  ILE  28          HG23      ILE  28   3.772  -8.038  -1.539
  227   HD11  ILE  28          HD11      ILE  28   1.465  -7.861   2.103
  228   HD12  ILE  28          HD12      ILE  28   2.664  -8.830   2.960
  229   HD13  ILE  28          HD13      ILE  28   1.318  -9.617   2.138
  230    H    ASN  29           H        ASN  29   5.777  -9.561   1.070
  231    HA   ASN  29           HA       ASN  29   8.433  -9.269   1.517
  232    HB2  ASN  29           HB2      ASN  29   8.776 -10.856  -0.412
  233    HB3  ASN  29           HB3      ASN  29   7.584 -11.353   0.778
  234   HD21  ASN  29          HD21      ASN  29   5.429 -11.433   0.235
  235   HD22  ASN  29          HD22      ASN  29   4.888 -11.380  -1.407
  236    H    GLY  30           H        GLY  30   8.999  -7.086   1.207
  237    HA2  GLY  30           HA2      GLY  30  10.440  -5.673   0.066
  238    HA3  GLY  30           HA3      GLY  30  10.213  -6.642  -1.379
  239    H    LYS  31           H        LYS  31   7.135  -6.243  -0.737
  240    HA   LYS  31           HA       LYS  31   7.109  -3.758  -2.325
  241    HB2  LYS  31           HB2      LYS  31   5.533  -6.280  -2.807
  242    HB3  LYS  31           HB3      LYS  31   5.206  -4.754  -3.614
  243    HG2  LYS  31           HG2      LYS  31   7.499  -4.790  -4.532
  244    HG3  LYS  31           HG3      LYS  31   7.734  -6.376  -3.795
  245    HD2  LYS  31           HD2      LYS  31   5.850  -7.247  -5.109
  246    HD3  LYS  31           HD3      LYS  31   5.652  -5.665  -5.860
  247    HE2  LYS  31           HE2      LYS  31   7.934  -5.836  -6.766
  248    HE3  LYS  31           HE3      LYS  31   8.081  -7.441  -6.051
  249    HZ1  LYS  31           HZ1      LYS  31   6.151  -6.620  -8.152
  250    HZ2  LYS  31           HZ2      LYS  31   6.187  -8.146  -7.421
  251    HZ3  LYS  31           HZ3      LYS  31   7.494  -7.627  -8.357
  252    H    CYS  32           H        CYS  32   4.828  -2.902  -2.591
  253    HA   CYS  32           HA       CYS  32   3.597  -2.755   0.058
  254    HB2  CYS  32           HB2      CYS  32   4.130  -0.871  -2.078
  255    HB3  CYS  32           HB3      CYS  32   2.438  -0.815  -1.598
  256    H    ASP  33           H        ASP  33   2.097  -4.289   0.252
  257    HA   ASP  33           HA       ASP  33   0.246  -4.743  -1.996
  258    HB2  ASP  33           HB2      ASP  33   1.525  -6.702  -1.046
  259    HB3  ASP  33           HB3      ASP  33   0.620  -6.473   0.445
  260    H    CYS  34           H        CYS  34  -1.675  -3.839  -1.835
  261    HA   CYS  34           HA       CYS  34  -2.437  -2.544   0.625
  262    HB2  CYS  34           HB2      CYS  34  -3.578  -2.519  -2.148
  263    HB3  CYS  34           HB3      CYS  34  -4.400  -1.756  -0.799
  264    H    THR  35           H        THR  35  -4.402  -2.726   1.669
  265    HA   THR  35           HA       THR  35  -5.784  -5.295   1.317
  266    HB   THR  35           HB       THR  35  -5.855  -3.254   3.528
  267    HG1  THR  35           HG1      THR  35  -4.232  -5.344   3.005
  268   HG21  THR  35          HG21      THR  35  -8.021  -4.393   3.261
  269   HG22  THR  35          HG22      THR  35  -7.218  -4.814   4.778
  270   HG23  THR  35          HG23      THR  35  -7.198  -5.949   3.428
  271    HA   PRO  36           HA       PRO  36  -8.745  -2.763  -0.880
  272    HB2  PRO  36           HB2      PRO  36 -10.474  -4.730  -1.500
  273    HB3  PRO  36           HB3      PRO  36  -8.923  -4.546  -2.316
  274    HG2  PRO  36           HG2      PRO  36  -9.650  -6.379  -0.067
  275    HG3  PRO  36           HG3      PRO  36  -8.772  -6.747  -1.565
  276    HD2  PRO  36           HD2      PRO  36  -7.493  -6.297   0.743
  277    HD3  PRO  36           HD3      PRO  36  -6.814  -5.774  -0.801
  278    H    LYS  37           H        LYS  37 -10.766  -1.906  -0.517
  279    HA   LYS  37           HA       LYS  37 -11.889  -2.347   2.119
  280    HB2  LYS  37           HB2      LYS  37 -13.394  -0.418   1.486
  281    HB3  LYS  37           HB3      LYS  37 -11.679  -0.049   1.555
  282    HG2  LYS  37           HG2      LYS  37 -11.499   0.042  -0.794
  283    HG3  LYS  37           HG3      LYS  37 -13.076  -0.717  -1.017
  284    HD2  LYS  37           HD2      LYS  37 -13.175   1.681  -1.469
  285    HD3  LYS  37           HD3      LYS  37 -14.168   1.254  -0.078
  286    HE2  LYS  37           HE2      LYS  37 -13.025   3.237   0.503
  287    HE3  LYS  37           HE3      LYS  37 -12.224   1.932   1.370
  288    HZ1  LYS  37           HZ1      LYS  37 -10.582   1.915  -0.517
  289    HZ2  LYS  37           HZ2      LYS  37 -10.534   3.278   0.480
  290    HZ3  LYS  37           HZ3      LYS  37 -11.275   3.369  -1.037
  Start of MODEL   11
    1    H1   VAL   1           H1       VAL   1  -3.737  -6.300  -6.592
    2    H2   VAL   1           H2       VAL   1  -4.967  -7.334  -6.075
    3    H3   VAL   1           H3       VAL   1  -3.489  -7.311  -5.260
    4    HA   VAL   1           HA       VAL   1  -5.389  -5.052  -5.414
    5    HB   VAL   1           HB       VAL   1  -5.725  -5.428  -2.992
    6   HG11  VAL   1          HG11      VAL   1  -7.457  -6.230  -4.361
    7   HG12  VAL   1          HG12      VAL   1  -7.089  -7.555  -3.255
    8   HG13  VAL   1          HG13      VAL   1  -6.496  -7.603  -4.915
    9   HG21  VAL   1          HG21      VAL   1  -3.617  -6.671  -2.641
   10   HG22  VAL   1          HG22      VAL   1  -4.338  -8.062  -3.449
   11   HG23  VAL   1          HG23      VAL   1  -5.025  -7.463  -1.938
   12    H    GLY   2           H        GLY   2  -2.210  -5.838  -5.380
   13    HA2  GLY   2           HA2      GLY   2  -1.422  -3.850  -3.393
   14    HA3  GLY   2           HA3      GLY   2  -0.350  -4.954  -4.239
   15    H    ILE   3           H        ILE   3   0.728  -2.691  -4.225
   16    HA   ILE   3           HA       ILE   3   0.099  -1.415  -6.795
   17    HB   ILE   3           HB       ILE   3   0.889   0.747  -5.794
   18   HG12  ILE   3          HG12      ILE   3   0.610  -0.817  -3.221
   19   HG13  ILE   3          HG13      ILE   3   2.088  -0.116  -3.869
   20   HG21  ILE   3          HG21      ILE   3  -1.232   1.201  -4.583
   21   HG22  ILE   3          HG22      ILE   3  -1.597  -0.523  -4.667
   22   HG23  ILE   3          HG23      ILE   3  -1.452   0.422  -6.149
   23   HD11  ILE   3          HD11      ILE   3   1.199   2.112  -3.537
   24   HD12  ILE   3          HD12      ILE   3   1.167   1.196  -2.031
   25   HD13  ILE   3          HD13      ILE   3  -0.319   1.437  -2.949
   26    H    ASN   4           H        ASN   4   1.918  -0.373  -7.798
   27    HA   ASN   4           HA       ASN   4   4.225  -2.038  -7.742
   28    HB2  ASN   4           HB2      ASN   4   5.007  -0.804  -9.615
   29    HB3  ASN   4           HB3      ASN   4   3.264  -0.925  -9.793
   30   HD21  ASN   4          HD21      ASN   4   2.681   1.171  -7.847
   31   HD22  ASN   4          HD22      ASN   4   3.119   2.663  -8.598
   32    H    VAL   5           H        VAL   5   3.524   0.022  -5.477
   33    HA   VAL   5           HA       VAL   5   5.992   1.534  -5.313
   34    HB   VAL   5           HB       VAL   5   3.794   1.223  -3.255
   35   HG11  VAL   5          HG11      VAL   5   4.720   3.279  -2.287
   36   HG12  VAL   5          HG12      VAL   5   6.017   3.247  -3.480
   37   HG13  VAL   5          HG13      VAL   5   5.894   1.962  -2.280
   38   HG21  VAL   5          HG21      VAL   5   2.899   3.301  -4.033
   39   HG22  VAL   5          HG22      VAL   5   3.023   2.200  -5.405
   40   HG23  VAL   5          HG23      VAL   5   4.210   3.488  -5.195
   41    H    LYS   6           H        LYS   6   7.735   0.978  -4.102
   42    HA   LYS   6           HA       LYS   6   7.764  -1.681  -2.946
   43    HB2  LYS   6           HB2      LYS   6  10.002   0.343  -3.112
   44    HB3  LYS   6           HB3      LYS   6  10.156  -1.372  -2.748
   45    HG2  LYS   6           HG2      LYS   6   9.256  -1.861  -5.021
   46    HG3  LYS   6           HG3      LYS   6   9.328  -0.132  -5.362
   47    HD2  LYS   6           HD2      LYS   6  11.303  -1.148  -6.248
   48    HD3  LYS   6           HD3      LYS   6  11.765  -0.203  -4.832
   49    HE2  LYS   6           HE2      LYS   6  11.839  -2.210  -3.481
   50    HE3  LYS   6           HE3      LYS   6  11.269  -3.177  -4.840
   51    HZ1  LYS   6           HZ1      LYS   6  13.290  -2.656  -6.027
   52    HZ2  LYS   6           HZ2      LYS   6  13.663  -3.345  -4.529
   53    HZ3  LYS   6           HZ3      LYS   6  13.828  -1.679  -4.756
   54    H    CYS   7           H        CYS   7   7.823  -2.130  -0.792
   55    HA   CYS   7           HA       CYS   7   6.882  -0.072   0.942
   56    HB2  CYS   7           HB2      CYS   7   6.121  -2.380   1.232
   57    HB3  CYS   7           HB3      CYS   7   7.763  -2.882   1.627
   58    H    LYS   8           H        LYS   8   8.338   1.510   1.423
   59    HA   LYS   8           HA       LYS   8  10.965   0.781   2.415
   60    HB2  LYS   8           HB2      LYS   8   9.668   3.513   2.355
   61    HB3  LYS   8           HB3      LYS   8  11.379   3.150   2.510
   62    HG2  LYS   8           HG2      LYS   8   9.707   2.604   0.065
   63    HG3  LYS   8           HG3      LYS   8  10.773   3.991   0.280
   64    HD2  LYS   8           HD2      LYS   8  11.864   1.226   0.585
   65    HD3  LYS   8           HD3      LYS   8  11.590   1.881  -1.027
   66    HE2  LYS   8           HE2      LYS   8  13.873   2.292  -0.384
   67    HE3  LYS   8           HE3      LYS   8  13.005   3.822  -0.439
   68    HZ1  LYS   8           HZ1      LYS   8  14.467   3.601   1.501
   69    HZ2  LYS   8           HZ2      LYS   8  13.551   2.291   2.042
   70    HZ3  LYS   8           HZ3      LYS   8  12.854   3.827   1.937
   71    H    HIS   9           H        HIS   9   7.868   2.031   3.437
   72    HA   HIS   9           HA       HIS   9   8.346   1.177   6.175
   73    HB2  HIS   9           HB2      HIS   9   7.477   4.012   5.527
   74    HB3  HIS   9           HB3      HIS   9   7.608   3.317   7.138
   75    HD1  HIS   9           HD1      HIS   9   9.681   4.559   4.288
   76    HD2  HIS   9           HD2      HIS   9  10.193   3.228   8.188
   77    HE1  HIS   9           HE1      HIS   9  12.096   4.902   4.788
   78    HE2  HIS   9           HE2      HIS   9  12.421   4.014   7.129
   79    H    SER  10           H        SER  10   6.480   0.534   7.168
   80    HA   SER  10           HA       SER  10   4.396  -0.272   5.473
   81    HB2  SER  10           HB2      SER  10   3.283  -0.869   7.729
   82    HB3  SER  10           HB3      SER  10   4.802  -1.663   7.310
   83    HG   SER  10           HG       SER  10   5.618  -0.832   9.041
   84    H    GLY  11           H        GLY  11   4.753   2.558   7.492
   85    HA2  GLY  11           HA2      GLY  11   1.983   3.321   7.318
   86    HA3  GLY  11           HA3      GLY  11   3.310   4.327   7.885
   87    H    GLN  12           H        GLN  12   4.893   3.924   5.476
   88    HA   GLN  12           HA       GLN  12   3.920   6.105   3.961
   89    HB2  GLN  12           HB2      GLN  12   6.227   4.226   3.762
   90    HB3  GLN  12           HB3      GLN  12   5.818   5.214   2.376
   91    HG2  GLN  12           HG2      GLN  12   6.051   7.223   3.757
   92    HG3  GLN  12           HG3      GLN  12   6.476   6.206   5.129
   93   HE21  GLN  12          HE21      GLN  12   7.583   5.545   1.860
   94   HE22  GLN  12          HE22      GLN  12   9.240   5.938   2.151
   95    H    CYS  13           H        CYS  13   3.224   2.786   3.859
   96    HA   CYS  13           HA       CYS  13   2.872   2.590   1.022
   97    HB2  CYS  13           HB2      CYS  13   2.172   0.765   3.313
   98    HB3  CYS  13           HB3      CYS  13   1.769   0.384   1.642
   99    H    LEU  14           H        LEU  14   0.979   3.794   3.581
  100    HA   LEU  14           HA       LEU  14  -1.587   3.226   2.441
  101    HB2  LEU  14           HB2      LEU  14  -0.569   4.858   4.707
  102    HB3  LEU  14           HB3      LEU  14  -2.169   5.213   4.091
  103    HG   LEU  14           HG       LEU  14  -2.827   2.861   4.511
  104   HD11  LEU  14          HD11      LEU  14  -1.449   1.304   5.516
  105   HD12  LEU  14          HD12      LEU  14  -0.309   2.522   6.085
  106   HD13  LEU  14          HD13      LEU  14  -0.365   2.096   4.375
  107   HD21  LEU  14          HD21      LEU  14  -3.237   4.622   6.173
  108   HD22  LEU  14          HD22      LEU  14  -1.686   4.255   6.928
  109   HD23  LEU  14          HD23      LEU  14  -2.971   3.047   6.918
  110    H    LYS  15           H        LYS  15   0.645   5.907   2.353
  111    HA   LYS  15           HA       LYS  15  -0.977   7.918   1.386
  112    HB2  LYS  15           HB2      LYS  15   1.948   7.381   1.167
  113    HB3  LYS  15           HB3      LYS  15   1.256   8.693   0.224
  114    HG2  LYS  15           HG2      LYS  15   2.156   9.497   2.335
  115    HG3  LYS  15           HG3      LYS  15   0.411   9.727   2.258
  116    HD2  LYS  15           HD2      LYS  15   0.145   7.631   3.580
  117    HD3  LYS  15           HD3      LYS  15   1.899   7.580   3.761
  118    HE2  LYS  15           HE2      LYS  15   0.883   8.575   5.723
  119    HE3  LYS  15           HE3      LYS  15   1.838   9.776   4.856
  120    HZ1  LYS  15           HZ1      LYS  15  -0.296  10.662   5.586
  121    HZ2  LYS  15           HZ2      LYS  15  -1.117   9.489   4.689
  122    HZ3  LYS  15           HZ3      LYS  15  -0.190  10.661   3.899
  123    HA   PRO  16           HA       PRO  16  -0.303   6.677  -3.154
  124    HB2  PRO  16           HB2      PRO  16   0.993   4.411  -3.813
  125    HB3  PRO  16           HB3      PRO  16   1.848   5.929  -3.519
  126    HG2  PRO  16           HG2      PRO  16   1.494   3.570  -1.717
  127    HG3  PRO  16           HG3      PRO  16   2.929   4.577  -1.979
  128    HD2  PRO  16           HD2      PRO  16   1.236   4.847   0.160
  129    HD3  PRO  16           HD3      PRO  16   2.236   6.162  -0.486
  130    H    CYS  17           H        CYS  17  -1.068   4.397  -0.732
  131    HA   CYS  17           HA       CYS  17  -2.417   2.490  -2.380
  132    HB2  CYS  17           HB2      CYS  17  -1.380   1.955  -0.179
  133    HB3  CYS  17           HB3      CYS  17  -2.639   2.908   0.600
  134    H    LYS  18           H        LYS  18  -3.399   5.245  -0.398
  135    HA   LYS  18           HA       LYS  18  -6.184   4.796  -0.665
  136    HB2  LYS  18           HB2      LYS  18  -6.442   7.047   0.198
  137    HB3  LYS  18           HB3      LYS  18  -5.203   6.203   1.108
  138    HG2  LYS  18           HG2      LYS  18  -4.064   8.113   0.818
  139    HG3  LYS  18           HG3      LYS  18  -3.684   7.402  -0.753
  140    HD2  LYS  18           HD2      LYS  18  -4.384   9.577  -1.264
  141    HD3  LYS  18           HD3      LYS  18  -5.797   8.580  -1.594
  142    HE2  LYS  18           HE2      LYS  18  -5.360  10.064   0.994
  143    HE3  LYS  18           HE3      LYS  18  -6.256  10.726  -0.369
  144    HZ1  LYS  18           HZ1      LYS  18  -6.955   8.315   1.218
  145    HZ2  LYS  18           HZ2      LYS  18  -7.767   8.793  -0.184
  146    HZ3  LYS  18           HZ3      LYS  18  -7.782   9.787   1.184
  147    H    LYS  19           H        LYS  19  -3.795   5.964  -2.791
  148    HA   LYS  19           HA       LYS  19  -5.656   7.396  -4.500
  149    HB2  LYS  19           HB2      LYS  19  -2.791   6.625  -5.084
  150    HB3  LYS  19           HB3      LYS  19  -3.759   7.809  -5.946
  151    HG2  LYS  19           HG2      LYS  19  -3.881   9.046  -3.702
  152    HG3  LYS  19           HG3      LYS  19  -2.549   8.001  -3.217
  153    HD2  LYS  19           HD2      LYS  19  -2.558   9.876  -5.586
  154    HD3  LYS  19           HD3      LYS  19  -1.744  10.160  -4.050
  155    HE2  LYS  19           HE2      LYS  19  -0.024   9.405  -5.399
  156    HE3  LYS  19           HE3      LYS  19  -0.520   7.937  -4.567
  157    HZ1  LYS  19           HZ1      LYS  19  -0.186   7.576  -6.941
  158    HZ2  LYS  19           HZ2      LYS  19  -1.375   8.720  -7.299
  159    HZ3  LYS  19           HZ3      LYS  19  -1.792   7.292  -6.506
  160    H    ALA  20           H        ALA  20  -4.618   4.268  -3.929
  161    HA   ALA  20           HA       ALA  20  -5.113   3.252  -6.605
  162    HB1  ALA  20           HB1      ALA  20  -4.431   1.856  -4.020
  163    HB2  ALA  20           HB2      ALA  20  -3.319   2.248  -5.335
  164    HB3  ALA  20           HB3      ALA  20  -4.596   1.057  -5.586
  165    H    GLY  21           H        GLY  21  -6.935   4.145  -3.986
  166    HA2  GLY  21           HA2      GLY  21  -9.230   3.986  -3.700
  167    HA3  GLY  21           HA3      GLY  21  -9.281   2.808  -5.004
  168    H    MET  22           H        MET  22  -6.964   2.216  -2.561
  169    HA   MET  22           HA       MET  22  -8.599  -0.026  -1.639
  170    HB2  MET  22           HB2      MET  22  -5.643   0.466  -1.251
  171    HB3  MET  22           HB3      MET  22  -6.521  -0.970  -0.764
  172    HG2  MET  22           HG2      MET  22  -6.158  -0.019  -3.590
  173    HG3  MET  22           HG3      MET  22  -5.275  -1.326  -2.808
  174    HE1  MET  22           HE1      MET  22  -6.794  -1.659  -5.591
  175    HE2  MET  22           HE2      MET  22  -7.535  -3.240  -5.349
  176    HE3  MET  22           HE3      MET  22  -5.889  -2.945  -4.792
  177    H    ARG  23           H        ARG  23  -7.798  -0.628   0.773
  178    HA   ARG  23           HA       ARG  23  -8.816   1.641   2.295
  179    HB2  ARG  23           HB2      ARG  23  -9.834  -0.644   2.473
  180    HB3  ARG  23           HB3      ARG  23  -8.346  -1.194   3.220
  181    HG2  ARG  23           HG2      ARG  23  -8.754  -0.086   5.173
  182    HG3  ARG  23           HG3      ARG  23  -9.768   1.131   4.397
  183    HD2  ARG  23           HD2      ARG  23 -10.920  -0.621   5.873
  184    HD3  ARG  23           HD3      ARG  23 -11.610  -0.300   4.285
  185    HE   ARG  23           HE       ARG  23 -10.297  -2.347   3.569
  186   HH11  ARG  23          HH11      ARG  23 -11.500  -1.949   6.838
  187   HH12  ARG  23          HH12      ARG  23 -11.694  -3.651   7.099
  188   HH21  ARG  23          HH21      ARG  23 -10.574  -4.561   3.907
  189   HH22  ARG  23          HH22      ARG  23 -11.170  -5.137   5.434
  190    H    PHE  24           H        PHE  24  -6.387  -0.851   3.105
  191    HA   PHE  24           HA       PHE  24  -4.588   1.323   3.943
  192    HB2  PHE  24           HB2      PHE  24  -4.023  -1.211   5.251
  193    HB3  PHE  24           HB3      PHE  24  -4.195   0.388   5.955
  194    HD1  PHE  24           HD1      PHE  24  -5.939  -2.630   4.920
  195    HD2  PHE  24           HD2      PHE  24  -6.213   1.003   7.087
  196    HE1  PHE  24           HE1      PHE  24  -8.027  -3.408   5.902
  197    HE2  PHE  24           HE2      PHE  24  -8.320   0.235   8.108
  198    HZ   PHE  24           HZ       PHE  24  -9.232  -1.980   7.524
  199    H    GLY  25           H        GLY  25  -2.290   0.520   4.052
  200    HA2  GLY  25           HA2      GLY  25  -1.741  -1.426   1.919
  201    HA3  GLY  25           HA3      GLY  25  -0.834   0.073   2.067
  202    H    LYS  26           H        LYS  26  -0.923  -3.169   2.883
  203    HA   LYS  26           HA       LYS  26   0.643  -2.861   5.320
  204    HB2  LYS  26           HB2      LYS  26   0.416  -5.241   5.584
  205    HB3  LYS  26           HB3      LYS  26  -1.158  -4.583   5.170
  206    HG2  LYS  26           HG2      LYS  26  -0.682  -5.262   2.789
  207    HG3  LYS  26           HG3      LYS  26   0.716  -6.138   3.411
  208    HD2  LYS  26           HD2      LYS  26  -2.161  -6.577   4.200
  209    HD3  LYS  26           HD3      LYS  26  -1.195  -7.625   3.162
  210    HE2  LYS  26           HE2      LYS  26   0.308  -8.102   5.008
  211    HE3  LYS  26           HE3      LYS  26  -0.591  -7.000   6.050
  212    HZ1  LYS  26           HZ1      LYS  26  -1.237  -9.267   6.470
  213    HZ2  LYS  26           HZ2      LYS  26  -1.627  -9.503   4.842
  214    HZ3  LYS  26           HZ3      LYS  26  -2.538  -8.431   5.779
  215    H    CYS  27           H        CYS  27   2.709  -3.976   5.531
  216    HA   CYS  27           HA       CYS  27   4.310  -3.436   3.185
  217    HB2  CYS  27           HB2      CYS  27   4.958  -2.803   5.574
  218    HB3  CYS  27           HB3      CYS  27   5.313  -4.512   5.815
  219    H    ILE  28           H        ILE  28   4.583  -4.915   1.698
  220    HA   ILE  28           HA       ILE  28   4.576  -7.738   2.478
  221    HB   ILE  28           HB       ILE  28   3.243  -6.406   0.413
  222   HG12  ILE  28          HG12      ILE  28   2.457  -8.650  -0.193
  223   HG13  ILE  28          HG13      ILE  28   3.762  -9.363   0.750
  224   HG21  ILE  28          HG21      ILE  28   5.441  -8.105  -0.740
  225   HG22  ILE  28          HG22      ILE  28   5.207  -6.371  -0.978
  226   HG23  ILE  28          HG23      ILE  28   4.035  -7.516  -1.631
  227   HD11  ILE  28          HD11      ILE  28   1.628  -7.595   1.907
  228   HD12  ILE  28          HD12      ILE  28   2.822  -8.548   2.783
  229   HD13  ILE  28          HD13      ILE  28   1.547  -9.355   1.872
  230    H    ASN  29           H        ASN  29   6.061  -9.040   0.826
  231    HA   ASN  29           HA       ASN  29   8.497  -8.959   1.965
  232    HB2  ASN  29           HB2      ASN  29   7.764  -9.893  -0.793
  233    HB3  ASN  29           HB3      ASN  29   9.372 -10.133  -0.126
  234   HD21  ASN  29          HD21      ASN  29   6.736 -10.220   2.087
  235   HD22  ASN  29          HD22      ASN  29   6.665 -11.934   2.266
  236    H    GLY  30           H        GLY  30   7.772  -7.302  -1.085
  237    HA2  GLY  30           HA2      GLY  30   9.946  -5.451  -0.398
  238    HA3  GLY  30           HA3      GLY  30   9.918  -6.159  -2.004
  239    H    LYS  31           H        LYS  31   6.770  -5.740  -0.993
  240    HA   LYS  31           HA       LYS  31   6.630  -3.203  -2.487
  241    HB2  LYS  31           HB2      LYS  31   4.948  -5.667  -2.899
  242    HB3  LYS  31           HB3      LYS  31   4.465  -4.082  -3.479
  243    HG2  LYS  31           HG2      LYS  31   6.569  -3.990  -4.796
  244    HG3  LYS  31           HG3      LYS  31   6.894  -5.653  -4.300
  245    HD2  LYS  31           HD2      LYS  31   4.783  -6.364  -5.324
  246    HD3  LYS  31           HD3      LYS  31   4.469  -4.703  -5.825
  247    HE2  LYS  31           HE2      LYS  31   6.522  -4.751  -7.183
  248    HE3  LYS  31           HE3      LYS  31   6.778  -6.431  -6.712
  249    HZ1  LYS  31           HZ1      LYS  31   4.650  -6.984  -7.755
  250    HZ2  LYS  31           HZ2      LYS  31   5.732  -6.314  -8.866
  251    HZ3  LYS  31           HZ3      LYS  31   4.466  -5.378  -8.252
  252    H    CYS  32           H        CYS  32   4.585  -2.038  -2.223
  253    HA   CYS  32           HA       CYS  32   3.431  -2.361   0.432
  254    HB2  CYS  32           HB2      CYS  32   2.972  -0.286  -1.726
  255    HB3  CYS  32           HB3      CYS  32   2.152  -0.294  -0.170
  256    H    ASP  33           H        ASP  33   2.085  -4.031   0.479
  257    HA   ASP  33           HA       ASP  33   0.297  -4.513  -1.794
  258    HB2  ASP  33           HB2      ASP  33   1.654  -6.386  -0.777
  259    HB3  ASP  33           HB3      ASP  33   0.657  -6.224   0.663
  260    H    CYS  34           H        CYS  34  -1.723  -3.805  -1.729
  261    HA   CYS  34           HA       CYS  34  -2.612  -2.525   0.706
  262    HB2  CYS  34           HB2      CYS  34  -3.615  -2.455  -2.118
  263    HB3  CYS  34           HB3      CYS  34  -4.473  -1.692  -0.791
  264    H    THR  35           H        THR  35  -4.598  -2.788   1.662
  265    HA   THR  35           HA       THR  35  -5.998  -5.300   1.005
  266    HB   THR  35           HB       THR  35  -5.937  -3.671   3.537
  267    HG1  THR  35           HG1      THR  35  -4.437  -5.684   2.634
  268   HG21  THR  35          HG21      THR  35  -8.191  -4.645   3.031
  269   HG22  THR  35          HG22      THR  35  -7.448  -5.229   4.526
  270   HG23  THR  35          HG23      THR  35  -7.435  -6.243   3.083
  271    HA   PRO  36           HA       PRO  36  -9.058  -2.435  -0.630
  272    HB2  PRO  36           HB2      PRO  36 -10.603  -4.896  -1.107
  273    HB3  PRO  36           HB3      PRO  36 -10.020  -3.703  -2.258
  274    HG2  PRO  36           HG2      PRO  36  -8.942  -6.134  -2.141
  275    HG3  PRO  36           HG3      PRO  36  -7.948  -4.698  -2.461
  276    HD2  PRO  36           HD2      PRO  36  -8.356  -6.176   0.109
  277    HD3  PRO  36           HD3      PRO  36  -6.837  -5.613  -0.621
  278    H    LYS  37           H        LYS  37 -11.566  -2.458  -0.454
  279    HA   LYS  37           HA       LYS  37 -12.260  -2.279   2.298
  280    HB2  LYS  37           HB2      LYS  37 -13.968  -2.118  -0.194
  281    HB3  LYS  37           HB3      LYS  37 -14.536  -1.747   1.425
  282    HG2  LYS  37           HG2      LYS  37 -13.000   0.110   1.582
  283    HG3  LYS  37           HG3      LYS  37 -12.312  -0.297   0.008
  284    HD2  LYS  37           HD2      LYS  37 -14.483   0.107  -1.046
  285    HD3  LYS  37           HD3      LYS  37 -15.172   0.514   0.526
  286    HE2  LYS  37           HE2      LYS  37 -12.900   1.986  -0.802
  287    HE3  LYS  37           HE3      LYS  37 -14.586   2.498  -0.831
  288    HZ1  LYS  37           HZ1      LYS  37 -13.364   3.661   0.876
  289    HZ2  LYS  37           HZ2      LYS  37 -12.894   2.205   1.593
  290    HZ3  LYS  37           HZ3      LYS  37 -14.526   2.658   1.589
  Start of MODEL   12
    1    H1   VAL   1           H1       VAL   1  -4.136  -8.583  -5.419
    2    H2   VAL   1           H2       VAL   1  -3.723  -8.191  -7.010
    3    H3   VAL   1           H3       VAL   1  -5.347  -8.273  -6.556
    4    HA   VAL   1           HA       VAL   1  -4.622  -5.997  -6.759
    5    HB   VAL   1           HB       VAL   1  -5.319  -5.159  -4.589
    6   HG11  VAL   1          HG11      VAL   1  -7.491  -6.195  -4.495
    7   HG12  VAL   1          HG12      VAL   1  -6.895  -7.611  -5.354
    8   HG13  VAL   1          HG13      VAL   1  -6.985  -6.053  -6.176
    9   HG21  VAL   1          HG21      VAL   1  -4.010  -6.733  -3.228
   10   HG22  VAL   1          HG22      VAL   1  -5.152  -8.012  -3.635
   11   HG23  VAL   1          HG23      VAL   1  -5.687  -6.615  -2.701
   12    H    GLY   2           H        GLY   2  -3.457  -4.229  -5.575
   13    HA2  GLY   2           HA2      GLY   2  -1.508  -4.128  -3.837
   14    HA3  GLY   2           HA3      GLY   2  -0.706  -5.101  -5.065
   15    H    ILE   3           H        ILE   3   0.310  -2.615  -4.300
   16    HA   ILE   3           HA       ILE   3  -0.363  -0.971  -6.647
   17    HB   ILE   3           HB       ILE   3   0.501   0.978  -5.331
   18   HG12  ILE   3          HG12      ILE   3   0.297  -0.971  -3.025
   19   HG13  ILE   3          HG13      ILE   3   1.782  -0.255  -3.645
   20   HG21  ILE   3          HG21      ILE   3  -1.555   1.205  -3.957
   21   HG22  ILE   3          HG22      ILE   3  -1.930  -0.479  -4.323
   22   HG23  ILE   3          HG23      ILE   3  -1.853   0.709  -5.623
   23   HD11  ILE   3          HD11      ILE   3   0.990   1.953  -2.982
   24   HD12  ILE   3          HD12      ILE   3   1.056   0.848  -1.611
   25   HD13  ILE   3          HD13      ILE   3  -0.493   1.235  -2.359
   26    H    ASN   4           H        ASN   4   1.338   0.130  -7.657
   27    HA   ASN   4           HA       ASN   4   3.787  -1.367  -7.762
   28    HB2  ASN   4           HB2      ASN   4   2.664  -0.381  -9.778
   29    HB3  ASN   4           HB3      ASN   4   3.078   1.217  -9.176
   30   HD21  ASN   4          HD21      ASN   4   5.695   0.794  -8.308
   31   HD22  ASN   4          HD22      ASN   4   6.678   0.424  -9.692
   32    H    VAL   5           H        VAL   5   4.175  -0.891  -5.440
   33    HA   VAL   5           HA       VAL   5   6.025   1.357  -5.248
   34    HB   VAL   5           HB       VAL   5   4.014   0.848  -3.056
   35   HG11  VAL   5          HG11      VAL   5   4.769   3.042  -2.261
   36   HG12  VAL   5          HG12      VAL   5   5.988   3.061  -3.532
   37   HG13  VAL   5          HG13      VAL   5   6.045   1.829  -2.269
   38   HG21  VAL   5          HG21      VAL   5   2.795   2.799  -3.691
   39   HG22  VAL   5          HG22      VAL   5   2.868   1.714  -5.080
   40   HG23  VAL   5          HG23      VAL   5   3.918   3.130  -5.011
   41    H    LYS   6           H        LYS   6   7.834   0.765  -4.136
   42    HA   LYS   6           HA       LYS   6   7.904  -1.894  -2.958
   43    HB2  LYS   6           HB2      LYS   6  10.122   0.152  -3.209
   44    HB3  LYS   6           HB3      LYS   6  10.308  -1.538  -2.762
   45    HG2  LYS   6           HG2      LYS   6   9.432  -2.164  -5.003
   46    HG3  LYS   6           HG3      LYS   6   9.439  -0.454  -5.431
   47    HD2  LYS   6           HD2      LYS   6  11.453  -1.370  -6.283
   48    HD3  LYS   6           HD3      LYS   6  11.893  -0.438  -4.853
   49    HE2  LYS   6           HE2      LYS   6  13.079  -2.547  -4.857
   50    HE3  LYS   6           HE3      LYS   6  11.915  -2.519  -3.534
   51    HZ1  LYS   6           HZ1      LYS   6  11.915  -4.633  -4.735
   52    HZ2  LYS   6           HZ2      LYS   6  11.477  -3.836  -6.158
   53    HZ3  LYS   6           HZ3      LYS   6  10.417  -3.860  -4.843
   54    H    CYS   7           H        CYS   7   8.023  -2.294  -0.777
   55    HA   CYS   7           HA       CYS   7   7.076  -0.184   0.897
   56    HB2  CYS   7           HB2      CYS   7   6.300  -2.455   1.304
   57    HB3  CYS   7           HB3      CYS   7   7.948  -2.975   1.655
   58    H    LYS   8           H        LYS   8   8.771   1.372   0.872
   59    HA   LYS   8           HA       LYS   8  11.247   0.700   2.203
   60    HB2  LYS   8           HB2      LYS   8  10.035   3.402   1.563
   61    HB3  LYS   8           HB3      LYS   8  11.679   3.127   2.118
   62    HG2  LYS   8           HG2      LYS   8  10.537   2.081  -0.465
   63    HG3  LYS   8           HG3      LYS   8  11.517   3.537  -0.309
   64    HD2  LYS   8           HD2      LYS   8  13.395   2.231   0.484
   65    HD3  LYS   8           HD3      LYS   8  12.415   0.763   0.467
   66    HE2  LYS   8           HE2      LYS   8  13.880   0.903  -1.493
   67    HE3  LYS   8           HE3      LYS   8  12.176   0.919  -1.944
   68    HZ1  LYS   8           HZ1      LYS   8  13.959   3.289  -1.783
   69    HZ2  LYS   8           HZ2      LYS   8  12.317   3.330  -2.179
   70    HZ3  LYS   8           HZ3      LYS   8  13.412   2.549  -3.202
   71    H    HIS   9           H        HIS   9   8.129   2.036   2.901
   72    HA   HIS   9           HA       HIS   9   8.498   1.601   5.755
   73    HB2  HIS   9           HB2      HIS   9   7.355   4.224   4.755
   74    HB3  HIS   9           HB3      HIS   9   7.735   3.784   6.413
   75    HD1  HIS   9           HD1      HIS   9   9.259   5.101   3.287
   76    HD2  HIS   9           HD2      HIS   9  10.471   3.955   7.094
   77    HE1  HIS   9           HE1      HIS   9  11.646   5.840   3.484
   78    HE2  HIS   9           HE2      HIS   9  12.297   5.305   5.861
   79    H    SER  10           H        SER  10   6.454   1.198   6.791
   80    HA   SER  10           HA       SER  10   4.461   0.148   5.064
   81    HB2  SER  10           HB2      SER  10   3.124  -0.052   7.222
   82    HB3  SER  10           HB3      SER  10   4.681  -0.878   7.204
   83    HG   SER  10           HG       SER  10   4.963   0.224   8.990
   84    H    GLY  11           H        GLY  11   4.830   3.166   6.818
   85    HA2  GLY  11           HA2      GLY  11   2.245   4.196   6.160
   86    HA3  GLY  11           HA3      GLY  11   3.617   5.123   6.751
   87    H    GLN  12           H        GLN  12   5.071   3.711   4.365
   88    HA   GLN  12           HA       GLN  12   4.591   5.866   2.487
   89    HB2  GLN  12           HB2      GLN  12   6.899   4.959   3.002
   90    HB3  GLN  12           HB3      GLN  12   6.431   3.496   2.150
   91    HG2  GLN  12           HG2      GLN  12   5.982   4.879   0.151
   92    HG3  GLN  12           HG3      GLN  12   6.665   6.258   1.008
   93   HE21  GLN  12          HE21      GLN  12   7.296   3.292  -0.619
   94   HE22  GLN  12          HE22      GLN  12   9.018   3.438  -0.669
   95    H    CYS  13           H        CYS  13   3.485   2.708   3.052
   96    HA   CYS  13           HA       CYS  13   2.728   2.250   0.284
   97    HB2  CYS  13           HB2      CYS  13   2.176   0.586   2.755
   98    HB3  CYS  13           HB3      CYS  13   1.876   0.096   1.090
   99    H    LEU  14           H        LEU  14   1.497   3.663   3.111
  100    HA   LEU  14           HA       LEU  14  -1.290   3.228   2.652
  101    HB2  LEU  14           HB2      LEU  14   0.182   5.263   4.324
  102    HB3  LEU  14           HB3      LEU  14  -1.557   5.074   4.320
  103    HG   LEU  14           HG       LEU  14   0.439   2.992   5.214
  104   HD11  LEU  14          HD11      LEU  14  -1.492   4.686   6.791
  105   HD12  LEU  14          HD12      LEU  14   0.260   4.872   6.757
  106   HD13  LEU  14          HD13      LEU  14  -0.459   3.415   7.443
  107   HD21  LEU  14          HD21      LEU  14  -1.471   1.897   4.274
  108   HD22  LEU  14          HD22      LEU  14  -2.574   2.971   5.136
  109   HD23  LEU  14          HD23      LEU  14  -1.595   1.808   6.032
  110    H    LYS  15           H        LYS  15   0.870   5.983   2.184
  111    HA   LYS  15           HA       LYS  15  -0.955   7.855   1.328
  112    HB2  LYS  15           HB2      LYS  15   1.940   7.568   0.530
  113    HB3  LYS  15           HB3      LYS  15   0.969   9.005   0.251
  114    HG2  LYS  15           HG2      LYS  15   0.715   9.360   2.610
  115    HG3  LYS  15           HG3      LYS  15   1.515   7.827   2.966
  116    HD2  LYS  15           HD2      LYS  15   3.584   8.661   1.998
  117    HD3  LYS  15           HD3      LYS  15   2.791  10.178   1.567
  118    HE2  LYS  15           HE2      LYS  15   4.134  10.400   3.604
  119    HE3  LYS  15           HE3      LYS  15   2.422  10.676   3.916
  120    HZ1  LYS  15           HZ1      LYS  15   3.830   8.114   4.435
  121    HZ2  LYS  15           HZ2      LYS  15   2.233   8.488   4.846
  122    HZ3  LYS  15           HZ3      LYS  15   3.512   9.285   5.607
  123    HA   PRO  16           HA       PRO  16  -0.439   6.624  -3.271
  124    HB2  PRO  16           HB2      PRO  16   0.749   4.264  -3.892
  125    HB3  PRO  16           HB3      PRO  16   1.631   5.789  -3.777
  126    HG2  PRO  16           HG2      PRO  16   1.438   3.561  -1.804
  127    HG3  PRO  16           HG3      PRO  16   2.831   4.564  -2.234
  128    HD2  PRO  16           HD2      PRO  16   1.327   4.947   0.011
  129    HD3  PRO  16           HD3      PRO  16   2.222   6.240  -0.810
  130    H    CYS  17           H        CYS  17  -1.223   4.411  -0.766
  131    HA   CYS  17           HA       CYS  17  -2.694   2.567  -2.413
  132    HB2  CYS  17           HB2      CYS  17  -1.549   1.980  -0.236
  133    HB3  CYS  17           HB3      CYS  17  -2.846   2.839   0.586
  134    H    LYS  18           H        LYS  18  -3.488   5.295  -0.300
  135    HA   LYS  18           HA       LYS  18  -6.304   5.011  -0.553
  136    HB2  LYS  18           HB2      LYS  18  -6.382   7.348   0.253
  137    HB3  LYS  18           HB3      LYS  18  -5.354   6.331   1.250
  138    HG2  LYS  18           HG2      LYS  18  -3.383   7.230   0.227
  139    HG3  LYS  18           HG3      LYS  18  -4.357   8.154  -0.919
  140    HD2  LYS  18           HD2      LYS  18  -5.288   9.460   0.925
  141    HD3  LYS  18           HD3      LYS  18  -4.353   8.511   2.082
  142    HE2  LYS  18           HE2      LYS  18  -2.281   9.297   1.006
  143    HE3  LYS  18           HE3      LYS  18  -3.243  10.284  -0.090
  144    HZ1  LYS  18           HZ1      LYS  18  -3.221  10.569   2.863
  145    HZ2  LYS  18           HZ2      LYS  18  -4.039  11.560   1.765
  146    HZ3  LYS  18           HZ3      LYS  18  -2.349  11.543   1.790
  147    H    LYS  19           H        LYS  19  -3.826   6.202  -2.589
  148    HA   LYS  19           HA       LYS  19  -5.589   7.720  -4.325
  149    HB2  LYS  19           HB2      LYS  19  -2.695   6.881  -4.621
  150    HB3  LYS  19           HB3      LYS  19  -3.555   7.901  -5.764
  151    HG2  LYS  19           HG2      LYS  19  -3.801   9.630  -4.114
  152    HG3  LYS  19           HG3      LYS  19  -3.108   8.590  -2.868
  153    HD2  LYS  19           HD2      LYS  19  -0.982   8.570  -3.998
  154    HD3  LYS  19           HD3      LYS  19  -1.656   9.460  -5.362
  155    HE2  LYS  19           HE2      LYS  19  -1.522  10.527  -2.549
  156    HE3  LYS  19           HE3      LYS  19  -0.300  10.839  -3.781
  157    HZ1  LYS  19           HZ1      LYS  19  -2.025  11.859  -5.154
  158    HZ2  LYS  19           HZ2      LYS  19  -1.864  12.650  -3.670
  159    HZ3  LYS  19           HZ3      LYS  19  -3.166  11.604  -3.930
  160    H    ALA  20           H        ALA  20  -4.729   4.556  -3.770
  161    HA   ALA  20           HA       ALA  20  -5.292   3.603  -6.472
  162    HB1  ALA  20           HB1      ALA  20  -4.558   2.128  -3.940
  163    HB2  ALA  20           HB2      ALA  20  -3.471   2.534  -5.273
  164    HB3  ALA  20           HB3      ALA  20  -4.781   1.379  -5.525
  165    H    GLY  21           H        GLY  21  -6.888   4.321  -3.592
  166    HA2  GLY  21           HA2      GLY  21  -9.173   4.249  -3.184
  167    HA3  GLY  21           HA3      GLY  21  -9.368   3.230  -4.603
  168    H    MET  22           H        MET  22  -6.937   2.261  -2.385
  169    HA   MET  22           HA       MET  22  -8.641   0.017  -1.617
  170    HB2  MET  22           HB2      MET  22  -5.647   0.362  -1.513
  171    HB3  MET  22           HB3      MET  22  -6.484  -1.010  -0.816
  172    HG2  MET  22           HG2      MET  22  -6.475  -0.213  -3.710
  173    HG3  MET  22           HG3      MET  22  -5.638  -1.582  -2.981
  174    HE1  MET  22           HE1      MET  22  -8.455  -3.285  -5.109
  175    HE2  MET  22           HE2      MET  22  -6.722  -3.198  -4.794
  176    HE3  MET  22           HE3      MET  22  -7.559  -1.821  -5.512
  177    H    ARG  23           H        ARG  23  -8.037  -0.890   0.663
  178    HA   ARG  23           HA       ARG  23  -9.025   1.169   2.405
  179    HB2  ARG  23           HB2      ARG  23  -9.822  -1.208   2.417
  180    HB3  ARG  23           HB3      ARG  23  -8.277  -1.666   3.107
  181    HG2  ARG  23           HG2      ARG  23  -8.758  -0.765   5.140
  182    HG3  ARG  23           HG3      ARG  23  -9.864   0.432   4.468
  183    HD2  ARG  23           HD2      ARG  23 -10.853  -1.529   5.812
  184    HD3  ARG  23           HD3      ARG  23 -11.608  -1.100   4.279
  185    HE   ARG  23           HE       ARG  23 -10.090  -2.980   3.384
  186   HH11  ARG  23          HH11      ARG  23 -11.600  -2.961   6.546
  187   HH12  ARG  23          HH12      ARG  23 -11.728  -4.689   6.624
  188   HH21  ARG  23          HH21      ARG  23 -10.282  -5.234   3.476
  189   HH22  ARG  23          HH22      ARG  23 -10.973  -5.986   4.880
  190    H    PHE  24           H        PHE  24  -6.347  -1.131   2.973
  191    HA   PHE  24           HA       PHE  24  -4.727   1.153   3.875
  192    HB2  PHE  24           HB2      PHE  24  -3.927  -1.356   5.105
  193    HB3  PHE  24           HB3      PHE  24  -4.213   0.208   5.852
  194    HD1  PHE  24           HD1      PHE  24  -5.720  -2.928   4.803
  195    HD2  PHE  24           HD2      PHE  24  -6.265   0.648   7.011
  196    HE1  PHE  24           HE1      PHE  24  -7.739  -3.875   5.789
  197    HE2  PHE  24           HE2      PHE  24  -8.291  -0.298   8.041
  198    HZ   PHE  24           HZ       PHE  24  -9.034  -2.567   7.436
  199    H    GLY  25           H        GLY  25  -2.518   0.944   3.505
  200    HA2  GLY  25           HA2      GLY  25  -1.726  -1.119   1.574
  201    HA3  GLY  25           HA3      GLY  25  -0.979   0.471   1.701
  202    H    LYS  26           H        LYS  26  -1.007  -2.752   2.849
  203    HA   LYS  26           HA       LYS  26   0.625  -2.129   5.179
  204    HB2  LYS  26           HB2      LYS  26   0.402  -4.514   5.718
  205    HB3  LYS  26           HB3      LYS  26  -1.162  -3.751   5.481
  206    HG2  LYS  26           HG2      LYS  26  -1.307  -4.724   3.248
  207    HG3  LYS  26           HG3      LYS  26   0.276  -5.477   3.475
  208    HD2  LYS  26           HD2      LYS  26  -0.585  -6.762   5.349
  209    HD3  LYS  26           HD3      LYS  26  -2.157  -5.979   5.188
  210    HE2  LYS  26           HE2      LYS  26  -0.843  -7.735   3.117
  211    HE3  LYS  26           HE3      LYS  26  -2.132  -8.229   4.211
  212    HZ1  LYS  26           HZ1      LYS  26  -3.256  -7.706   2.289
  213    HZ2  LYS  26           HZ2      LYS  26  -2.251  -6.408   1.896
  214    HZ3  LYS  26           HZ3      LYS  26  -3.393  -6.251   3.146
  215    H    CYS  27           H        CYS  27   2.602  -3.389   5.563
  216    HA   CYS  27           HA       CYS  27   4.235  -3.273   3.185
  217    HB2  CYS  27           HB2      CYS  27   4.975  -2.375   5.428
  218    HB3  CYS  27           HB3      CYS  27   5.109  -4.047   5.968
  219    H    ILE  28           H        ILE  28   4.529  -4.928   1.930
  220    HA   ILE  28           HA       ILE  28   4.218  -7.630   3.028
  221    HB   ILE  28           HB       ILE  28   2.776  -6.504   1.031
  222   HG12  ILE  28          HG12      ILE  28   2.078  -8.757   0.434
  223   HG13  ILE  28          HG13      ILE  28   3.512  -9.426   1.212
  224   HG21  ILE  28          HG21      ILE  28   4.977  -8.007  -0.361
  225   HG22  ILE  28          HG22      ILE  28   4.632  -6.283  -0.490
  226   HG23  ILE  28          HG23      ILE  28   3.474  -7.460  -1.107
  227   HD11  ILE  28          HD11      ILE  28   1.557  -7.748   2.750
  228   HD12  ILE  28          HD12      ILE  28   2.724  -8.936   3.343
  229   HD13  ILE  28          HD13      ILE  28   1.283  -9.473   2.482
  230    H    ASN  29           H        ASN  29   5.496  -9.189   1.325
  231    HA   ASN  29           HA       ASN  29   8.163  -9.033   1.924
  232    HB2  ASN  29           HB2      ASN  29   6.963 -10.278  -0.556
  233    HB3  ASN  29           HB3      ASN  29   8.558 -10.634   0.096
  234   HD21  ASN  29          HD21      ASN  29   5.174 -11.177   0.353
  235   HD22  ASN  29          HD22      ASN  29   5.240 -12.362   1.613
  236    H    GLY  30           H        GLY  30   8.936  -6.958   1.666
  237    HA2  GLY  30           HA2      GLY  30  10.267  -5.412   0.627
  238    HA3  GLY  30           HA3      GLY  30  10.258  -6.435  -0.799
  239    H    LYS  31           H        LYS  31   7.074  -5.982  -0.239
  240    HA   LYS  31           HA       LYS  31   7.066  -3.715  -2.128
  241    HB2  LYS  31           HB2      LYS  31   6.850  -5.893  -3.262
  242    HB3  LYS  31           HB3      LYS  31   5.432  -6.247  -2.293
  243    HG2  LYS  31           HG2      LYS  31   4.151  -4.594  -3.384
  244    HG3  LYS  31           HG3      LYS  31   5.581  -3.885  -4.141
  245    HD2  LYS  31           HD2      LYS  31   4.298  -5.240  -5.731
  246    HD3  LYS  31           HD3      LYS  31   5.907  -5.906  -5.457
  247    HE2  LYS  31           HE2      LYS  31   4.775  -7.395  -3.697
  248    HE3  LYS  31           HE3      LYS  31   3.261  -6.912  -4.458
  249    HZ1  LYS  31           HZ1      LYS  31   4.220  -7.727  -6.588
  250    HZ2  LYS  31           HZ2      LYS  31   3.960  -8.937  -5.437
  251    HZ3  LYS  31           HZ3      LYS  31   5.523  -8.358  -5.712
  252    H    CYS  32           H        CYS  32   5.000  -2.592  -2.318
  253    HA   CYS  32           HA       CYS  32   3.595  -2.442   0.227
  254    HB2  CYS  32           HB2      CYS  32   3.620  -0.731  -2.246
  255    HB3  CYS  32           HB3      CYS  32   2.474  -0.447  -0.947
  256    H    ASP  33           H        ASP  33   2.153  -4.023   0.429
  257    HA   ASP  33           HA       ASP  33   0.361  -4.642  -1.817
  258    HB2  ASP  33           HB2      ASP  33   1.434  -6.562  -0.802
  259    HB3  ASP  33           HB3      ASP  33   0.855  -6.092   0.790
  260    H    CYS  34           H        CYS  34  -1.688  -3.989  -1.815
  261    HA   CYS  34           HA       CYS  34  -2.625  -2.547   0.546
  262    HB2  CYS  34           HB2      CYS  34  -3.496  -2.490  -2.322
  263    HB3  CYS  34           HB3      CYS  34  -4.468  -1.785  -1.046
  264    H    THR  35           H        THR  35  -4.586  -2.851   1.462
  265    HA   THR  35           HA       THR  35  -5.800  -5.490   0.985
  266    HB   THR  35           HB       THR  35  -6.178  -3.574   3.276
  267    HG1  THR  35           HG1      THR  35  -4.800  -4.973   4.423
  268   HG21  THR  35          HG21      THR  35  -8.088  -5.066   2.897
  269   HG22  THR  35          HG22      THR  35  -7.258  -5.419   4.415
  270   HG23  THR  35          HG23      THR  35  -7.006  -6.458   3.011
  271    HA   PRO  36           HA       PRO  36  -9.127  -3.084  -0.910
  272    HB2  PRO  36           HB2      PRO  36 -10.325  -5.702  -1.424
  273    HB3  PRO  36           HB3      PRO  36  -9.782  -4.483  -2.574
  274    HG2  PRO  36           HG2      PRO  36  -8.499  -6.835  -2.245
  275    HG3  PRO  36           HG3      PRO  36  -7.652  -5.338  -2.676
  276    HD2  PRO  36           HD2      PRO  36  -7.890  -6.676  -0.005
  277    HD3  PRO  36           HD3      PRO  36  -6.472  -5.921  -0.766
  278    H    LYS  37           H        LYS  37 -11.488  -3.035  -0.568
  279    HA   LYS  37           HA       LYS  37 -12.135  -3.582   2.202
  280    HB2  LYS  37           HB2      LYS  37 -13.799  -2.276   0.040
  281    HB3  LYS  37           HB3      LYS  37 -14.184  -2.314   1.753
  282    HG2  LYS  37           HG2      LYS  37 -12.219  -0.965   2.239
  283    HG3  LYS  37           HG3      LYS  37 -11.798  -0.949   0.525
  284    HD2  LYS  37           HD2      LYS  37 -13.945   0.163   0.042
  285    HD3  LYS  37           HD3      LYS  37 -14.294   0.202   1.770
  286    HE2  LYS  37           HE2      LYS  37 -13.441   2.345   1.089
  287    HE3  LYS  37           HE3      LYS  37 -12.247   1.545   2.109
  288    HZ1  LYS  37           HZ1      LYS  37 -11.171   2.548   0.226
  289    HZ2  LYS  37           HZ2      LYS  37 -12.190   1.741  -0.852
  290    HZ3  LYS  37           HZ3      LYS  37 -11.078   0.867   0.069
  Start of MODEL   13
    1    H1   VAL   1           H1       VAL   1  -5.179  -7.221  -5.616
    2    H2   VAL   1           H2       VAL   1  -3.662  -7.569  -4.955
    3    H3   VAL   1           H3       VAL   1  -3.774  -6.720  -6.412
    4    HA   VAL   1           HA       VAL   1  -4.748  -4.854  -5.338
    5    HB   VAL   1           HB       VAL   1  -4.834  -4.823  -2.817
    6   HG11  VAL   1          HG11      VAL   1  -7.039  -5.806  -2.727
    7   HG12  VAL   1          HG12      VAL   1  -6.715  -6.750  -4.181
    8   HG13  VAL   1          HG13      VAL   1  -6.828  -4.992  -4.276
    9   HG21  VAL   1          HG21      VAL   1  -3.440  -6.859  -2.551
   10   HG22  VAL   1          HG22      VAL   1  -4.800  -7.819  -3.132
   11   HG23  VAL   1          HG23      VAL   1  -4.944  -6.900  -1.633
   12    H    GLY   2           H        GLY   2  -2.168  -5.846  -6.175
   13    HA2  GLY   2           HA2      GLY   2  -0.325  -4.823  -4.153
   14    HA3  GLY   2           HA3      GLY   2   0.114  -5.610  -5.665
   15    H    ILE   3           H        ILE   3   0.960  -3.016  -4.432
   16    HA   ILE   3           HA       ILE   3   0.196  -1.288  -6.681
   17    HB   ILE   3           HB       ILE   3   0.729   0.648  -5.181
   18   HG12  ILE   3          HG12      ILE   3   0.701  -1.497  -3.044
   19   HG13  ILE   3          HG13      ILE   3   2.090  -0.528  -3.524
   20   HG21  ILE   3          HG21      ILE   3  -1.410   0.567  -3.984
   21   HG22  ILE   3          HG22      ILE   3  -1.521  -1.162  -4.309
   22   HG23  ILE   3          HG23      ILE   3  -1.565  -0.011  -5.643
   23   HD11  ILE   3          HD11      ILE   3   0.974   1.481  -2.719
   24   HD12  ILE   3          HD12      ILE   3   1.120   0.270  -1.445
   25   HD13  ILE   3          HD13      ILE   3  -0.428   0.518  -2.251
   26    H    ASN   4           H        ASN   4   1.847   0.363  -7.189
   27    HA   ASN   4           HA       ASN   4   4.302  -0.956  -7.806
   28    HB2  ASN   4           HB2      ASN   4   4.857   1.122  -9.001
   29    HB3  ASN   4           HB3      ASN   4   3.229   0.575  -9.393
   30   HD21  ASN   4          HD21      ASN   4   5.125   2.965  -7.719
   31   HD22  ASN   4          HD22      ASN   4   3.843   4.096  -7.463
   32    H    VAL   5           H        VAL   5   3.566  -0.015  -4.943
   33    HA   VAL   5           HA       VAL   5   5.801   1.778  -4.393
   34    HB   VAL   5           HB       VAL   5   3.657   0.792  -2.507
   35   HG11  VAL   5          HG11      VAL   5   4.290   2.823  -1.216
   36   HG12  VAL   5          HG12      VAL   5   5.661   3.028  -2.305
   37   HG13  VAL   5          HG13      VAL   5   5.548   1.591  -1.289
   38   HG21  VAL   5          HG21      VAL   5   2.514   2.882  -2.885
   39   HG22  VAL   5          HG22      VAL   5   2.708   2.024  -4.413
   40   HG23  VAL   5          HG23      VAL   5   3.755   3.390  -4.029
   41    H    LYS   6           H        LYS   6   7.599   1.151  -3.381
   42    HA   LYS   6           HA       LYS   6   7.995  -1.651  -2.762
   43    HB2  LYS   6           HB2      LYS   6   9.754  -0.300  -3.873
   44    HB3  LYS   6           HB3      LYS   6   9.839   0.724  -2.450
   45    HG2  LYS   6           HG2      LYS   6  10.579  -1.202  -1.120
   46    HG3  LYS   6           HG3      LYS   6  10.543  -2.198  -2.576
   47    HD2  LYS   6           HD2      LYS   6  12.230  -0.792  -3.610
   48    HD3  LYS   6           HD3      LYS   6  12.228   0.278  -2.206
   49    HE2  LYS   6           HE2      LYS   6  13.031  -1.541  -0.802
   50    HE3  LYS   6           HE3      LYS   6  12.990  -2.641  -2.179
   51    HZ1  LYS   6           HZ1      LYS   6  15.219  -1.839  -1.787
   52    HZ2  LYS   6           HZ2      LYS   6  14.708  -0.232  -1.922
   53    HZ3  LYS   6           HZ3      LYS   6  14.654  -1.254  -3.271
   54    H    CYS   7           H        CYS   7   8.535  -2.446  -0.676
   55    HA   CYS   7           HA       CYS   7   7.147  -1.126   1.453
   56    HB2  CYS   7           HB2      CYS   7   7.158  -3.541   1.441
   57    HB3  CYS   7           HB3      CYS   7   8.918  -3.579   1.482
   58    H    LYS   8           H        LYS   8   8.348   0.893   1.424
   59    HA   LYS   8           HA       LYS   8  11.067   0.902   2.368
   60    HB2  LYS   8           HB2      LYS   8   9.034   3.112   2.029
   61    HB3  LYS   8           HB3      LYS   8  10.689   3.390   2.555
   62    HG2  LYS   8           HG2      LYS   8  11.484   2.405   0.433
   63    HG3  LYS   8           HG3      LYS   8   9.806   2.246  -0.088
   64    HD2  LYS   8           HD2      LYS   8   9.526   4.674   0.122
   65    HD3  LYS   8           HD3      LYS   8  11.216   4.819   0.610
   66    HE2  LYS   8           HE2      LYS   8  11.900   3.869  -1.551
   67    HE3  LYS   8           HE3      LYS   8  10.206   3.781  -2.035
   68    HZ1  LYS   8           HZ1      LYS   8  10.091   6.210  -1.749
   69    HZ2  LYS   8           HZ2      LYS   8  11.187   5.743  -2.947
   70    HZ3  LYS   8           HZ3      LYS   8  11.751   6.240  -1.435
   71    H    HIS   9           H        HIS   9   7.879   1.449   3.700
   72    HA   HIS   9           HA       HIS   9   8.582   0.591   6.274
   73    HB2  HIS   9           HB2      HIS   9   7.931   2.846   7.399
   74    HB3  HIS   9           HB3      HIS   9   9.577   2.603   6.859
   75    HD1  HIS   9           HD1      HIS   9  10.366   3.972   4.794
   76    HD2  HIS   9           HD2      HIS   9   6.556   4.918   6.151
   77    HE1  HIS   9           HE1      HIS   9   9.766   6.120   3.652
   78    HE2  HIS   9           HE2      HIS   9   7.520   6.761   4.610
   79    H    SER  10           H        SER  10   6.855  -0.291   7.071
   80    HA   SER  10           HA       SER  10   4.427  -0.242   5.669
   81    HB2  SER  10           HB2      SER  10   3.605  -1.631   7.586
   82    HB3  SER  10           HB3      SER  10   5.114  -2.197   6.877
   83    HG   SER  10           HG       SER  10   5.200  -0.417   9.047
   84    H    GLY  11           H        GLY  11   3.354   1.588   5.525
   85    HA2  GLY  11           HA2      GLY  11   1.624   2.748   7.134
   86    HA3  GLY  11           HA3      GLY  11   3.122   3.395   7.801
   87    H    GLN  12           H        GLN  12   4.470   3.403   5.228
   88    HA   GLN  12           HA       GLN  12   3.882   5.984   4.308
   89    HB2  GLN  12           HB2      GLN  12   6.043   4.973   3.927
   90    HB3  GLN  12           HB3      GLN  12   5.324   3.700   2.953
   91    HG2  GLN  12           HG2      GLN  12   4.629   5.440   1.316
   92    HG3  GLN  12           HG3      GLN  12   5.523   6.623   2.271
   93   HE21  GLN  12          HE21      GLN  12   5.759   3.872   0.166
   94   HE22  GLN  12          HE22      GLN  12   7.443   4.028  -0.179
   95    H    CYS  13           H        CYS  13   2.587   2.885   3.357
   96    HA   CYS  13           HA       CYS  13   1.905   3.635   0.706
   97    HB2  CYS  13           HB2      CYS  13   1.021   1.319   2.408
   98    HB3  CYS  13           HB3      CYS  13   0.592   1.510   0.712
   99    H    LEU  14           H        LEU  14   0.454   4.458   3.606
  100    HA   LEU  14           HA       LEU  14  -2.270   4.235   3.025
  101    HB2  LEU  14           HB2      LEU  14  -0.628   5.947   4.812
  102    HB3  LEU  14           HB3      LEU  14  -2.276   6.445   4.515
  103    HG   LEU  14           HG       LEU  14  -2.023   5.121   6.590
  104   HD11  LEU  14          HD11      LEU  14  -4.091   5.179   5.168
  105   HD12  LEU  14          HD12      LEU  14  -3.953   3.812   6.272
  106   HD13  LEU  14          HD13      LEU  14  -3.616   3.599   4.552
  107   HD21  LEU  14          HD21      LEU  14  -1.446   2.775   4.785
  108   HD22  LEU  14          HD22      LEU  14  -1.502   2.797   6.550
  109   HD23  LEU  14          HD23      LEU  14  -0.203   3.634   5.699
  110    H    LYS  15           H        LYS  15   0.085   6.688   2.157
  111    HA   LYS  15           HA       LYS  15  -1.779   8.516   1.050
  112    HB2  LYS  15           HB2      LYS  15   1.183   8.295   0.516
  113    HB3  LYS  15           HB3      LYS  15   0.170   9.685   0.160
  114    HG2  LYS  15           HG2      LYS  15   0.748   8.586   2.904
  115    HG3  LYS  15           HG3      LYS  15   1.488  10.017   2.185
  116    HD2  LYS  15           HD2      LYS  15  -0.658  11.128   2.096
  117    HD3  LYS  15           HD3      LYS  15  -1.464   9.674   2.682
  118    HE2  LYS  15           HE2      LYS  15  -0.231   9.841   4.790
  119    HE3  LYS  15           HE3      LYS  15   0.569  11.299   4.204
  120    HZ1  LYS  15           HZ1      LYS  15  -2.349  10.978   4.649
  121    HZ2  LYS  15           HZ2      LYS  15  -1.596  12.372   4.063
  122    HZ3  LYS  15           HZ3      LYS  15  -1.283  11.845   5.638
  123    HA   PRO  16           HA       PRO  16  -0.556   6.839  -3.278
  124    HB2  PRO  16           HB2      PRO  16   0.776   4.479  -3.473
  125    HB3  PRO  16           HB3      PRO  16   1.587   6.048  -3.393
  126    HG2  PRO  16           HG2      PRO  16   1.134   4.032  -1.235
  127    HG3  PRO  16           HG3      PRO  16   2.577   5.003  -1.576
  128    HD2  PRO  16           HD2      PRO  16   0.804   5.626   0.386
  129    HD3  PRO  16           HD3      PRO  16   1.743   6.846  -0.493
  130    H    CYS  17           H        CYS  17  -1.375   4.498  -0.773
  131    HA   CYS  17           HA       CYS  17  -2.660   2.682  -2.583
  132    HB2  CYS  17           HB2      CYS  17  -1.649   1.953  -0.438
  133    HB3  CYS  17           HB3      CYS  17  -2.920   2.816   0.422
  134    H    LYS  18           H        LYS  18  -3.803   5.269  -0.422
  135    HA   LYS  18           HA       LYS  18  -6.552   4.796  -0.824
  136    HB2  LYS  18           HB2      LYS  18  -6.898   7.072  -0.077
  137    HB3  LYS  18           HB3      LYS  18  -5.656   6.321   0.910
  138    HG2  LYS  18           HG2      LYS  18  -3.933   7.506  -0.198
  139    HG3  LYS  18           HG3      LYS  18  -5.043   8.072  -1.448
  140    HD2  LYS  18           HD2      LYS  18  -6.246   9.396   0.224
  141    HD3  LYS  18           HD3      LYS  18  -5.152   8.810   1.479
  142    HE2  LYS  18           HE2      LYS  18  -3.271   9.862   0.362
  143    HE3  LYS  18           HE3      LYS  18  -4.322  10.395  -0.948
  144    HZ1  LYS  18           HZ1      LYS  18  -5.529  11.769   0.623
  145    HZ2  LYS  18           HZ2      LYS  18  -3.887  12.166   0.632
  146    HZ3  LYS  18           HZ3      LYS  18  -4.537  11.244   1.889
  147    H    LYS  19           H        LYS  19  -4.096   6.084  -2.838
  148    HA   LYS  19           HA       LYS  19  -5.887   7.441  -4.668
  149    HB2  LYS  19           HB2      LYS  19  -2.951   6.758  -4.956
  150    HB3  LYS  19           HB3      LYS  19  -3.865   7.830  -6.006
  151    HG2  LYS  19           HG2      LYS  19  -4.175   9.397  -4.186
  152    HG3  LYS  19           HG3      LYS  19  -3.345   8.303  -3.078
  153    HD2  LYS  19           HD2      LYS  19  -1.312   8.485  -4.472
  154    HD3  LYS  19           HD3      LYS  19  -2.151   9.642  -5.506
  155    HE2  LYS  19           HE2      LYS  19  -1.690  10.019  -2.552
  156    HE3  LYS  19           HE3      LYS  19  -0.654  10.686  -3.813
  157    HZ1  LYS  19           HZ1      LYS  19  -3.550  11.276  -3.526
  158    HZ2  LYS  19           HZ2      LYS  19  -2.483  11.981  -4.630
  159    HZ3  LYS  19           HZ3      LYS  19  -2.305  12.277  -2.975
  160    H    ALA  20           H        ALA  20  -4.769   4.333  -4.068
  161    HA   ALA  20           HA       ALA  20  -5.120   3.331  -6.774
  162    HB1  ALA  20           HB1      ALA  20  -4.516   1.953  -4.153
  163    HB2  ALA  20           HB2      ALA  20  -3.386   2.303  -5.464
  164    HB3  ALA  20           HB3      ALA  20  -4.669   1.119  -5.701
  165    H    GLY  21           H        GLY  21  -7.031   4.098  -4.136
  166    HA2  GLY  21           HA2      GLY  21  -9.354   3.910  -3.976
  167    HA3  GLY  21           HA3      GLY  21  -9.321   2.707  -5.261
  168    H    MET  22           H        MET  22  -7.076   2.328  -2.700
  169    HA   MET  22           HA       MET  22  -8.738   0.168  -1.601
  170    HB2  MET  22           HB2      MET  22  -5.715   0.212  -1.661
  171    HB3  MET  22           HB3      MET  22  -6.756  -1.130  -1.219
  172    HG2  MET  22           HG2      MET  22  -7.606  -1.242  -3.505
  173    HG3  MET  22           HG3      MET  22  -6.560   0.099  -3.957
  174    HE1  MET  22           HE1      MET  22  -4.782  -2.773  -5.825
  175    HE2  MET  22           HE2      MET  22  -5.487  -1.158  -5.923
  176    HE3  MET  22           HE3      MET  22  -6.522  -2.555  -5.636
  177    H    ARG  23           H        ARG  23  -7.710  -0.445   0.728
  178    HA   ARG  23           HA       ARG  23  -8.362   1.987   2.158
  179    HB2  ARG  23           HB2      ARG  23  -9.376  -0.323   2.564
  180    HB3  ARG  23           HB3      ARG  23  -7.872  -0.719   3.377
  181    HG2  ARG  23           HG2      ARG  23  -8.364   0.521   5.184
  182    HG3  ARG  23           HG3      ARG  23  -9.187   1.764   4.243
  183    HD2  ARG  23           HD2      ARG  23 -10.670   0.436   5.766
  184    HD3  ARG  23           HD3      ARG  23 -11.161   0.451   4.075
  185    HE   ARG  23           HE       ARG  23 -10.160  -1.801   3.911
  186   HH11  ARG  23          HH11      ARG  23 -11.016  -0.570   7.081
  187   HH12  ARG  23          HH12      ARG  23 -11.251  -2.149   7.762
  188   HH21  ARG  23          HH21      ARG  23 -10.496  -3.861   4.802
  189   HH22  ARG  23          HH22      ARG  23 -10.953  -4.017   6.470
  190    H    PHE  24           H        PHE  24  -6.000  -0.522   3.118
  191    HA   PHE  24           HA       PHE  24  -4.046   1.642   3.548
  192    HB2  PHE  24           HB2      PHE  24  -3.520  -0.697   5.186
  193    HB3  PHE  24           HB3      PHE  24  -3.621   0.990   5.659
  194    HD1  PHE  24           HD1      PHE  24  -5.475  -2.093   5.160
  195    HD2  PHE  24           HD2      PHE  24  -5.592   1.844   6.725
  196    HE1  PHE  24           HE1      PHE  24  -7.564  -2.633   6.291
  197    HE2  PHE  24           HE2      PHE  24  -7.688   1.314   7.904
  198    HZ   PHE  24           HZ       PHE  24  -8.681  -0.933   7.692
  199    H    GLY  25           H        GLY  25  -1.785   0.493   3.892
  200    HA2  GLY  25           HA2      GLY  25  -1.471  -1.606   1.865
  201    HA3  GLY  25           HA3      GLY  25  -0.470  -0.163   1.806
  202    H    LYS  26           H        LYS  26  -0.595  -3.296   2.816
  203    HA   LYS  26           HA       LYS  26   1.106  -2.933   5.158
  204    HB2  LYS  26           HB2      LYS  26   0.761  -5.203   5.631
  205    HB3  LYS  26           HB3      LYS  26  -0.780  -4.679   4.977
  206    HG2  LYS  26           HG2      LYS  26  -0.188  -5.645   2.810
  207    HG3  LYS  26           HG3      LYS  26   1.357  -6.176   3.473
  208    HD2  LYS  26           HD2      LYS  26  -1.359  -7.041   4.464
  209    HD3  LYS  26           HD3      LYS  26  -0.309  -7.988   3.411
  210    HE2  LYS  26           HE2      LYS  26   0.408  -7.066   6.192
  211    HE3  LYS  26           HE3      LYS  26  -0.191  -8.670   5.786
  212    HZ1  LYS  26           HZ1      LYS  26   2.328  -7.473   4.753
  213    HZ2  LYS  26           HZ2      LYS  26   1.757  -9.030   4.420
  214    HZ3  LYS  26           HZ3      LYS  26   2.221  -8.621   5.989
  215    H    CYS  27           H        CYS  27   3.076  -4.352   5.273
  216    HA   CYS  27           HA       CYS  27   4.678  -3.915   2.914
  217    HB2  CYS  27           HB2      CYS  27   5.614  -3.509   5.161
  218    HB3  CYS  27           HB3      CYS  27   5.387  -5.211   5.555
  219    H    ILE  28           H        ILE  28   5.294  -5.419   1.466
  220    HA   ILE  28           HA       ILE  28   4.689  -8.231   2.073
  221    HB   ILE  28           HB       ILE  28   3.405  -6.757   0.132
  222   HG12  ILE  28          HG12      ILE  28   2.641  -8.971  -0.708
  223   HG13  ILE  28          HG13      ILE  28   3.892  -9.734   0.268
  224   HG21  ILE  28          HG21      ILE  28   5.527  -8.387  -1.254
  225   HG22  ILE  28          HG22      ILE  28   5.376  -6.628  -1.277
  226   HG23  ILE  28          HG23      ILE  28   4.135  -7.629  -2.033
  227   HD11  ILE  28          HD11      ILE  28   2.806  -8.622   2.266
  228   HD12  ILE  28          HD12      ILE  28   1.898  -9.917   1.493
  229   HD13  ILE  28          HD13      ILE  28   1.464  -8.237   1.193
  230    H    ASN  29           H        ASN  29   6.002  -9.617   0.293
  231    HA   ASN  29           HA       ASN  29   8.404  -9.915   1.411
  232    HB2  ASN  29           HB2      ASN  29   9.123 -11.248  -0.467
  233    HB3  ASN  29           HB3      ASN  29   7.402 -11.487  -0.202
  234   HD21  ASN  29          HD21      ASN  29   5.938 -10.794  -1.743
  235   HD22  ASN  29          HD22      ASN  29   6.425 -10.284  -3.323
  236    H    GLY  30           H        GLY  30   7.996  -7.922  -1.498
  237    HA2  GLY  30           HA2      GLY  30  10.314  -6.382  -0.542
  238    HA3  GLY  30           HA3      GLY  30  10.242  -6.878  -2.227
  239    H    LYS  31           H        LYS  31   7.139  -6.357  -1.313
  240    HA   LYS  31           HA       LYS  31   7.236  -3.673  -2.531
  241    HB2  LYS  31           HB2      LYS  31   5.269  -5.869  -3.212
  242    HB3  LYS  31           HB3      LYS  31   5.290  -4.251  -3.896
  243    HG2  LYS  31           HG2      LYS  31   7.384  -6.382  -4.262
  244    HG3  LYS  31           HG3      LYS  31   6.226  -5.812  -5.467
  245    HD2  LYS  31           HD2      LYS  31   7.254  -3.549  -5.284
  246    HD3  LYS  31           HD3      LYS  31   8.482  -4.242  -4.223
  247    HE2  LYS  31           HE2      LYS  31   9.375  -4.130  -6.444
  248    HE3  LYS  31           HE3      LYS  31   9.079  -5.822  -6.046
  249    HZ1  LYS  31           HZ1      LYS  31   7.082  -5.784  -7.342
  250    HZ2  LYS  31           HZ2      LYS  31   8.344  -5.198  -8.300
  251    HZ3  LYS  31           HZ3      LYS  31   7.227  -4.125  -7.626
  252    H    CYS  32           H        CYS  32   4.574  -3.131  -2.591
  253    HA   CYS  32           HA       CYS  32   3.729  -3.439   0.205
  254    HB2  CYS  32           HB2      CYS  32   4.352  -1.104  -0.518
  255    HB3  CYS  32           HB3      CYS  32   2.989  -1.156  -1.635
  256    H    ASP  33           H        ASP  33   1.920  -4.489   0.516
  257    HA   ASP  33           HA       ASP  33   0.106  -4.919  -1.777
  258    HB2  ASP  33           HB2      ASP  33   1.140  -6.976  -0.952
  259    HB3  ASP  33           HB3      ASP  33   0.535  -6.653   0.666
  260    H    CYS  34           H        CYS  34  -1.872  -4.122  -1.643
  261    HA   CYS  34           HA       CYS  34  -2.506  -2.592   0.737
  262    HB2  CYS  34           HB2      CYS  34  -3.551  -2.614  -2.056
  263    HB3  CYS  34           HB3      CYS  34  -4.473  -1.846  -0.774
  264    H    THR  35           H        THR  35  -4.539  -2.545   1.720
  265    HA   THR  35           HA       THR  35  -5.948  -5.129   1.631
  266    HB   THR  35           HB       THR  35  -5.889  -3.000   3.762
  267    HG1  THR  35           HG1      THR  35  -4.213  -5.015   3.220
  268   HG21  THR  35          HG21      THR  35  -8.030  -4.243   3.657
  269   HG22  THR  35          HG22      THR  35  -7.135  -4.518   5.156
  270   HG23  THR  35          HG23      THR  35  -7.125  -5.743   3.888
  271    HA   PRO  36           HA       PRO  36  -9.202  -2.699  -0.210
  272    HB2  PRO  36           HB2      PRO  36 -11.011  -4.645  -0.460
  273    HB3  PRO  36           HB3      PRO  36  -9.562  -4.612  -1.462
  274    HG2  PRO  36           HG2      PRO  36 -10.106  -6.203   1.022
  275    HG3  PRO  36           HG3      PRO  36  -9.397  -6.741  -0.510
  276    HD2  PRO  36           HD2      PRO  36  -7.901  -6.101   1.663
  277    HD3  PRO  36           HD3      PRO  36  -7.328  -5.875  -0.002
  278    H    LYS  37           H        LYS  37 -11.739  -2.705   0.222
  279    HA   LYS  37           HA       LYS  37 -12.015  -2.042   3.037
  280    HB2  LYS  37           HB2      LYS  37 -14.241  -1.072   2.237
  281    HB3  LYS  37           HB3      LYS  37 -12.772  -0.292   1.669
  282    HG2  LYS  37           HG2      LYS  37 -12.973  -1.528  -0.453
  283    HG3  LYS  37           HG3      LYS  37 -14.491  -2.219   0.120
  284    HD2  LYS  37           HD2      LYS  37 -15.505  -0.045   0.213
  285    HD3  LYS  37           HD3      LYS  37 -13.966   0.737  -0.152
  286    HE2  LYS  37           HE2      LYS  37 -15.495  -1.113  -1.977
  287    HE3  LYS  37           HE3      LYS  37 -15.403   0.642  -2.123
  288    HZ1  LYS  37           HZ1      LYS  37 -13.859  -0.358  -3.630
  289    HZ2  LYS  37           HZ2      LYS  37 -13.157  -1.280  -2.401
  290    HZ3  LYS  37           HZ3      LYS  37 -12.979   0.402  -2.401
  Start of MODEL   14
    1    H1   VAL   1           H1       VAL   1  -3.493  -7.532  -5.005
    2    H2   VAL   1           H2       VAL   1  -3.506  -6.668  -6.460
    3    H3   VAL   1           H3       VAL   1  -4.859  -7.568  -6.000
    4    HA   VAL   1           HA       VAL   1  -5.214  -5.222  -5.651
    5    HB   VAL   1           HB       VAL   1  -5.831  -5.295  -3.237
    6   HG11  VAL   1          HG11      VAL   1  -7.515  -7.005  -3.506
    7   HG12  VAL   1          HG12      VAL   1  -6.604  -7.742  -4.820
    8   HG13  VAL   1          HG13      VAL   1  -7.307  -6.138  -5.024
    9   HG21  VAL   1          HG21      VAL   1  -3.922  -6.698  -2.541
   10   HG22  VAL   1          HG22      VAL   1  -4.676  -8.076  -3.341
   11   HG23  VAL   1          HG23      VAL   1  -5.475  -7.307  -1.970
   12    H    GLY   2           H        GLY   2  -2.116  -6.026  -5.260
   13    HA2  GLY   2           HA2      GLY   2  -1.364  -4.036  -3.303
   14    HA3  GLY   2           HA3      GLY   2  -0.274  -5.033  -4.254
   15    H    ILE   3           H        ILE   3   0.702  -2.714  -4.163
   16    HA   ILE   3           HA       ILE   3  -0.112  -1.367  -6.645
   17    HB   ILE   3           HB       ILE   3   0.709   0.774  -5.564
   18   HG12  ILE   3          HG12      ILE   3   0.457  -0.938  -3.085
   19   HG13  ILE   3          HG13      ILE   3   1.915  -0.153  -3.681
   20   HG21  ILE   3          HG21      ILE   3  -1.421   1.129  -4.323
   21   HG22  ILE   3          HG22      ILE   3  -1.761  -0.591  -4.524
   22   HG23  ILE   3          HG23      ILE   3  -1.624   0.453  -5.940
   23   HD11  ILE   3          HD11      ILE   3   0.996   2.014  -3.187
   24   HD12  ILE   3          HD12      ILE   3   0.906   0.992  -1.754
   25   HD13  ILE   3          HD13      ILE   3  -0.541   1.293  -2.718
   26    H    ASN   4           H        ASN   4   1.655  -0.038  -7.556
   27    HA   ASN   4           HA       ASN   4   3.905  -1.714  -7.997
   28    HB2  ASN   4           HB2      ASN   4   4.642   0.018  -9.550
   29    HB3  ASN   4           HB3      ASN   4   2.920  -0.289  -9.754
   30   HD21  ASN   4          HD21      ASN   4   5.325   1.976  -8.655
   31   HD22  ASN   4          HD22      ASN   4   4.264   3.333  -8.508
   32    H    VAL   5           H        VAL   5   3.388   0.044  -5.387
   33    HA   VAL   5           HA       VAL   5   5.874   1.521  -5.238
   34    HB   VAL   5           HB       VAL   5   3.870   1.072  -3.030
   35   HG11  VAL   5          HG11      VAL   5   4.709   3.164  -2.148
   36   HG12  VAL   5          HG12      VAL   5   5.823   3.313  -3.508
   37   HG13  VAL   5          HG13      VAL   5   6.023   2.004  -2.342
   38   HG21  VAL   5          HG21      VAL   5   2.673   2.994  -3.702
   39   HG22  VAL   5          HG22      VAL   5   2.817   1.959  -5.125
   40   HG23  VAL   5          HG23      VAL   5   3.853   3.376  -4.956
   41    H    LYS   6           H        LYS   6   7.657   0.899  -4.118
   42    HA   LYS   6           HA       LYS   6   7.697  -1.794  -3.028
   43    HB2  LYS   6           HB2      LYS   6   9.884   0.226  -3.528
   44    HB3  LYS   6           HB3      LYS   6  10.163  -1.345  -2.787
   45    HG2  LYS   6           HG2      LYS   6   9.358  -2.456  -4.794
   46    HG3  LYS   6           HG3      LYS   6   9.023  -0.893  -5.539
   47    HD2  LYS   6           HD2      LYS   6  11.748  -1.813  -4.632
   48    HD3  LYS   6           HD3      LYS   6  11.157  -1.920  -6.291
   49    HE2  LYS   6           HE2      LYS   6  11.503   0.614  -4.688
   50    HE3  LYS   6           HE3      LYS   6  12.565   0.048  -5.975
   51    HZ1  LYS   6           HZ1      LYS   6   9.707   0.785  -6.292
   52    HZ2  LYS   6           HZ2      LYS   6  10.719   0.229  -7.524
   53    HZ3  LYS   6           HZ3      LYS   6  11.029   1.714  -6.784
   54    H    CYS   7           H        CYS   7   8.045  -2.292  -0.924
   55    HA   CYS   7           HA       CYS   7   7.134  -0.367   0.974
   56    HB2  CYS   7           HB2      CYS   7   6.407  -2.535   1.433
   57    HB3  CYS   7           HB3      CYS   7   7.989  -3.240   1.114
   58    H    LYS   8           H        LYS   8   8.583   1.294   1.377
   59    HA   LYS   8           HA       LYS   8  11.222   0.570   2.380
   60    HB2  LYS   8           HB2      LYS   8   9.835   3.232   2.041
   61    HB3  LYS   8           HB3      LYS   8  11.399   3.060   2.824
   62    HG2  LYS   8           HG2      LYS   8  12.299   2.102   0.735
   63    HG3  LYS   8           HG3      LYS   8  10.737   2.390  -0.036
   64    HD2  LYS   8           HD2      LYS   8  10.948   4.760   0.287
   65    HD3  LYS   8           HD3      LYS   8  12.403   4.543   1.258
   66    HE2  LYS   8           HE2      LYS   8  13.000   5.279  -0.966
   67    HE3  LYS   8           HE3      LYS   8  13.555   3.627  -0.711
   68    HZ1  LYS   8           HZ1      LYS   8  12.552   3.906  -2.889
   69    HZ2  LYS   8           HZ2      LYS   8  11.101   4.409  -2.186
   70    HZ3  LYS   8           HZ3      LYS   8  11.650   2.828  -1.950
   71    H    HIS   9           H        HIS   9   8.149   1.902   3.455
   72    HA   HIS   9           HA       HIS   9   8.657   0.969   6.171
   73    HB2  HIS   9           HB2      HIS   9   7.586   3.763   5.736
   74    HB3  HIS   9           HB3      HIS   9   8.155   3.037   7.234
   75    HD1  HIS   9           HD1      HIS   9   9.286   4.895   4.252
   76    HD2  HIS   9           HD2      HIS   9  11.002   2.927   7.484
   77    HE1  HIS   9           HE1      HIS   9  11.711   5.512   4.198
   78    HE2  HIS   9           HE2      HIS   9  12.696   4.464   6.272
   79    H    SER  10           H        SER  10   6.616   0.733   7.379
   80    HA   SER  10           HA       SER  10   4.633  -0.373   5.733
   81    HB2  SER  10           HB2      SER  10   3.287  -0.324   7.964
   82    HB3  SER  10           HB3      SER  10   4.736  -1.323   7.846
   83    HG   SER  10           HG       SER  10   4.270   0.985   9.321
   84    H    GLY  11           H        GLY  11   4.582   2.647   7.617
   85    HA2  GLY  11           HA2      GLY  11   1.962   3.392   6.806
   86    HA3  GLY  11           HA3      GLY  11   3.154   4.446   7.551
   87    H    GLN  12           H        GLN  12   4.924   3.450   5.167
   88    HA   GLN  12           HA       GLN  12   4.528   5.771   3.568
   89    HB2  GLN  12           HB2      GLN  12   6.748   4.667   3.897
   90    HB3  GLN  12           HB3      GLN  12   6.173   3.320   2.929
   91    HG2  GLN  12           HG2      GLN  12   5.805   4.891   1.062
   92    HG3  GLN  12           HG3      GLN  12   6.577   6.147   2.025
   93   HE21  GLN  12          HE21      GLN  12   7.020   3.244   0.202
   94   HE22  GLN  12          HE22      GLN  12   8.746   3.318   0.119
   95    H    CYS  13           H        CYS  13   3.474   2.463   3.407
   96    HA   CYS  13           HA       CYS  13   2.849   2.540   0.600
   97    HB2  CYS  13           HB2      CYS  13   2.163   0.504   2.728
   98    HB3  CYS  13           HB3      CYS  13   1.908   0.289   0.998
   99    H    LEU  14           H        LEU  14   1.274   3.321   3.543
  100    HA   LEU  14           HA       LEU  14  -1.420   3.103   2.742
  101    HB2  LEU  14           HB2      LEU  14   0.080   4.299   4.929
  102    HB3  LEU  14           HB3      LEU  14  -1.296   5.274   4.474
  103    HG   LEU  14           HG       LEU  14  -1.873   3.788   6.297
  104   HD11  LEU  14          HD11      LEU  14  -3.468   4.358   4.433
  105   HD12  LEU  14          HD12      LEU  14  -3.887   2.967   5.431
  106   HD13  LEU  14          HD13      LEU  14  -3.195   2.727   3.825
  107   HD21  LEU  14          HD21      LEU  14  -1.318   1.481   4.446
  108   HD22  LEU  14          HD22      LEU  14  -1.803   1.416   6.140
  109   HD23  LEU  14          HD23      LEU  14  -0.203   2.016   5.705
  110    H    LYS  15           H        LYS  15   1.023   5.545   2.221
  111    HA   LYS  15           HA       LYS  15  -0.643   7.737   1.728
  112    HB2  LYS  15           HB2      LYS  15   2.183   7.133   0.896
  113    HB3  LYS  15           HB3      LYS  15   1.401   8.661   0.541
  114    HG2  LYS  15           HG2      LYS  15   1.124   9.113   2.891
  115    HG3  LYS  15           HG3      LYS  15   1.756   7.518   3.301
  116    HD2  LYS  15           HD2      LYS  15   3.465   9.213   3.622
  117    HD3  LYS  15           HD3      LYS  15   3.915   8.136   2.301
  118    HE2  LYS  15           HE2      LYS  15   3.123   9.789   0.685
  119    HE3  LYS  15           HE3      LYS  15   2.668  10.864   2.005
  120    HZ1  LYS  15           HZ1      LYS  15   4.985  10.979   2.664
  121    HZ2  LYS  15           HZ2      LYS  15   4.802  11.475   1.058
  122    HZ3  LYS  15           HZ3      LYS  15   5.425   9.942   1.404
  123    HA   PRO  16           HA       PRO  16  -0.450   6.894  -2.997
  124    HB2  PRO  16           HB2      PRO  16   0.652   4.574  -3.882
  125    HB3  PRO  16           HB3      PRO  16   1.582   6.061  -3.674
  126    HG2  PRO  16           HG2      PRO  16   1.371   3.691  -1.857
  127    HG3  PRO  16           HG3      PRO  16   2.804   4.628  -2.314
  128    HD2  PRO  16           HD2      PRO  16   1.531   4.994   0.044
  129    HD3  PRO  16           HD3      PRO  16   2.340   6.309  -0.820
  130    H    CYS  17           H        CYS  17  -1.118   4.458  -0.664
  131    HA   CYS  17           HA       CYS  17  -2.618   2.697  -2.318
  132    HB2  CYS  17           HB2      CYS  17  -1.529   2.109  -0.119
  133    HB3  CYS  17           HB3      CYS  17  -2.842   2.971   0.676
  134    H    LYS  18           H        LYS  18  -3.460   5.470  -0.297
  135    HA   LYS  18           HA       LYS  18  -6.253   5.181  -0.452
  136    HB2  LYS  18           HB2      LYS  18  -6.387   7.506   0.170
  137    HB3  LYS  18           HB3      LYS  18  -5.091   6.751   1.082
  138    HG2  LYS  18           HG2      LYS  18  -3.431   7.778  -0.260
  139    HG3  LYS  18           HG3      LYS  18  -4.628   8.316  -1.439
  140    HD2  LYS  18           HD2      LYS  18  -5.630   9.772   0.278
  141    HD3  LYS  18           HD3      LYS  18  -4.386   9.257   1.419
  142    HE2  LYS  18           HE2      LYS  18  -3.842  10.628  -1.211
  143    HE3  LYS  18           HE3      LYS  18  -3.911  11.446   0.348
  144    HZ1  LYS  18           HZ1      LYS  18  -2.066  10.099   1.104
  145    HZ2  LYS  18           HZ2      LYS  18  -1.638  10.935  -0.300
  146    HZ3  LYS  18           HZ3      LYS  18  -2.004   9.285  -0.377
  147    H    LYS  19           H        LYS  19  -3.903   6.233  -2.754
  148    HA   LYS  19           HA       LYS  19  -5.877   7.491  -4.489
  149    HB2  LYS  19           HB2      LYS  19  -2.926   6.993  -4.944
  150    HB3  LYS  19           HB3      LYS  19  -3.973   7.979  -5.954
  151    HG2  LYS  19           HG2      LYS  19  -3.285   8.545  -3.078
  152    HG3  LYS  19           HG3      LYS  19  -2.562   9.328  -4.481
  153    HD2  LYS  19           HD2      LYS  19  -5.511   9.394  -3.852
  154    HD3  LYS  19           HD3      LYS  19  -4.374  10.646  -3.357
  155    HE2  LYS  19           HE2      LYS  19  -4.923   9.805  -6.202
  156    HE3  LYS  19           HE3      LYS  19  -5.579  11.239  -5.417
  157    HZ1  LYS  19           HZ1      LYS  19  -3.276  12.014  -5.096
  158    HZ2  LYS  19           HZ2      LYS  19  -3.684  11.845  -6.726
  159    HZ3  LYS  19           HZ3      LYS  19  -2.717  10.684  -5.977
  160    H    ALA  20           H        ALA  20  -4.544   4.481  -3.870
  161    HA   ALA  20           HA       ALA  20  -4.835   3.338  -6.495
  162    HB1  ALA  20           HB1      ALA  20  -4.470   2.068  -3.781
  163    HB2  ALA  20           HB2      ALA  20  -3.208   2.406  -4.969
  164    HB3  ALA  20           HB3      ALA  20  -4.444   1.196  -5.315
  165    H    GLY  21           H        GLY  21  -6.827   3.964  -3.775
  166    HA2  GLY  21           HA2      GLY  21  -9.181   3.880  -3.808
  167    HA3  GLY  21           HA3      GLY  21  -9.100   2.727  -5.134
  168    H    MET  22           H        MET  22  -6.954   2.115  -2.559
  169    HA   MET  22           HA       MET  22  -8.626  -0.159  -1.776
  170    HB2  MET  22           HB2      MET  22  -5.670   0.343  -1.431
  171    HB3  MET  22           HB3      MET  22  -6.514  -1.047  -0.769
  172    HG2  MET  22           HG2      MET  22  -6.344  -0.353  -3.689
  173    HG3  MET  22           HG3      MET  22  -5.360  -1.557  -2.861
  174    HE1  MET  22           HE1      MET  22  -7.140  -2.095  -5.488
  175    HE2  MET  22           HE2      MET  22  -7.792  -3.684  -5.093
  176    HE3  MET  22           HE3      MET  22  -6.109  -3.307  -4.729
  177    H    ARG  23           H        ARG  23  -7.874  -0.827   0.666
  178    HA   ARG  23           HA       ARG  23  -8.996   1.394   2.182
  179    HB2  ARG  23           HB2      ARG  23  -9.955  -0.925   2.290
  180    HB3  ARG  23           HB3      ARG  23  -8.484  -1.436   3.099
  181    HG2  ARG  23           HG2      ARG  23  -9.027  -0.418   5.044
  182    HG3  ARG  23           HG3      ARG  23  -9.937   0.864   4.247
  183    HD2  ARG  23           HD2      ARG  23 -11.361  -0.700   5.544
  184    HD3  ARG  23           HD3      ARG  23 -11.781  -0.624   3.838
  185    HE   ARG  23           HE       ARG  23 -10.446  -2.747   3.635
  186   HH11  ARG  23          HH11      ARG  23 -11.955  -1.833   6.666
  187   HH12  ARG  23          HH12      ARG  23 -12.164  -3.470   7.197
  188   HH21  ARG  23          HH21      ARG  23 -10.711  -4.895   4.341
  189   HH22  ARG  23          HH22      ARG  23 -11.440  -5.214   5.883
  190    H    PHE  24           H        PHE  24  -6.485  -1.033   2.936
  191    HA   PHE  24           HA       PHE  24  -4.800   1.175   3.902
  192    HB2  PHE  24           HB2      PHE  24  -4.156  -1.437   5.054
  193    HB3  PHE  24           HB3      PHE  24  -4.318   0.125   5.847
  194    HD1  PHE  24           HD1      PHE  24  -6.032  -2.871   4.751
  195    HD2  PHE  24           HD2      PHE  24  -6.383   0.740   6.933
  196    HE1  PHE  24           HE1      PHE  24  -8.126  -3.681   5.692
  197    HE2  PHE  24           HE2      PHE  24  -8.496  -0.058   7.917
  198    HZ   PHE  24           HZ       PHE  24  -9.373  -2.280   7.302
  199    H    GLY  25           H        GLY  25  -2.506   0.667   3.795
  200    HA2  GLY  25           HA2      GLY  25  -1.815  -1.241   1.672
  201    HA3  GLY  25           HA3      GLY  25  -1.127   0.376   1.721
  202    H    LYS  26           H        LYS  26  -0.983  -2.825   2.973
  203    HA   LYS  26           HA       LYS  26   0.803  -2.039   5.133
  204    HB2  LYS  26           HB2      LYS  26   0.690  -4.423   5.796
  205    HB3  LYS  26           HB3      LYS  26  -0.880  -3.642   5.741
  206    HG2  LYS  26           HG2      LYS  26  -1.321  -4.693   3.573
  207    HG3  LYS  26           HG3      LYS  26   0.262  -5.477   3.652
  208    HD2  LYS  26           HD2      LYS  26  -0.363  -6.831   5.447
  209    HD3  LYS  26           HD3      LYS  26  -1.742  -5.813   5.859
  210    HE2  LYS  26           HE2      LYS  26  -2.564  -7.831   4.881
  211    HE3  LYS  26           HE3      LYS  26  -2.821  -6.522   3.732
  212    HZ1  LYS  26           HZ1      LYS  26  -0.998  -7.275   2.428
  213    HZ2  LYS  26           HZ2      LYS  26  -1.963  -8.624   2.762
  214    HZ3  LYS  26           HZ3      LYS  26  -0.522  -8.391   3.612
  215    H    CYS  27           H        CYS  27   2.803  -3.221   5.454
  216    HA   CYS  27           HA       CYS  27   4.299  -3.188   2.988
  217    HB2  CYS  27           HB2      CYS  27   4.898  -2.885   5.818
  218    HB3  CYS  27           HB3      CYS  27   6.070  -3.907   4.988
  219    H    ILE  28           H        ILE  28   4.426  -4.890   1.783
  220    HA   ILE  28           HA       ILE  28   4.569  -7.541   3.012
  221    HB   ILE  28           HB       ILE  28   3.140  -6.489   0.750
  222   HG12  ILE  28          HG12      ILE  28   2.001  -8.664   0.852
  223   HG13  ILE  28          HG13      ILE  28   3.225  -9.247   1.973
  224   HG21  ILE  28          HG21      ILE  28   5.084  -8.671   0.093
  225   HG22  ILE  28          HG22      ILE  28   4.833  -7.136  -0.739
  226   HG23  ILE  28          HG23      ILE  28   3.603  -8.397  -0.827
  227   HD11  ILE  28          HD11      ILE  28   2.529  -7.425   3.532
  228   HD12  ILE  28          HD12      ILE  28   1.298  -8.640   3.219
  229   HD13  ILE  28          HD13      ILE  28   1.205  -7.071   2.427
  230    H    ASN  29           H        ASN  29   6.010  -9.062   1.673
  231    HA   ASN  29           HA       ASN  29   8.633  -8.462   1.890
  232    HB2  ASN  29           HB2      ASN  29   9.036 -10.279   0.180
  233    HB3  ASN  29           HB3      ASN  29   7.994 -10.706   1.529
  234   HD21  ASN  29          HD21      ASN  29   5.830 -11.117   1.176
  235   HD22  ASN  29          HD22      ASN  29   5.180 -11.353  -0.410
  236    H    GLY  30           H        GLY  30   9.010  -6.340   1.229
  237    HA2  GLY  30           HA2      GLY  30  10.212  -4.962  -0.185
  238    HA3  GLY  30           HA3      GLY  30  10.062  -6.173  -1.446
  239    H    LYS  31           H        LYS  31   6.963  -5.885  -0.601
  240    HA   LYS  31           HA       LYS  31   6.578  -3.732  -2.581
  241    HB2  LYS  31           HB2      LYS  31   6.271  -5.900  -3.652
  242    HB3  LYS  31           HB3      LYS  31   5.108  -6.368  -2.427
  243    HG2  LYS  31           HG2      LYS  31   3.615  -4.569  -3.179
  244    HG3  LYS  31           HG3      LYS  31   4.776  -4.156  -4.439
  245    HD2  LYS  31           HD2      LYS  31   3.700  -6.943  -4.222
  246    HD3  LYS  31           HD3      LYS  31   2.752  -5.682  -5.008
  247    HE2  LYS  31           HE2      LYS  31   3.993  -6.875  -6.680
  248    HE3  LYS  31           HE3      LYS  31   4.664  -5.256  -6.525
  249    HZ1  LYS  31           HZ1      LYS  31   6.510  -6.106  -5.324
  250    HZ2  LYS  31           HZ2      LYS  31   6.333  -7.065  -6.701
  251    HZ3  LYS  31           HZ3      LYS  31   5.820  -7.644  -5.197
  252    H    CYS  32           H        CYS  32   4.877  -2.381  -2.322
  253    HA   CYS  32           HA       CYS  32   3.538  -2.309   0.224
  254    HB2  CYS  32           HB2      CYS  32   3.459  -0.620  -2.269
  255    HB3  CYS  32           HB3      CYS  32   2.366  -0.304  -0.931
  256    H    ASP  33           H        ASP  33   2.124  -3.947   0.482
  257    HA   ASP  33           HA       ASP  33   0.304  -4.593  -1.723
  258    HB2  ASP  33           HB2      ASP  33   1.486  -6.483  -0.840
  259    HB3  ASP  33           HB3      ASP  33   1.001  -6.091   0.802
  260    H    CYS  34           H        CYS  34  -1.635  -3.805  -1.707
  261    HA   CYS  34           HA       CYS  34  -2.645  -2.535   0.701
  262    HB2  CYS  34           HB2      CYS  34  -3.430  -2.357  -2.187
  263    HB3  CYS  34           HB3      CYS  34  -4.414  -1.665  -0.908
  264    H    THR  35           H        THR  35  -4.672  -2.855   1.520
  265    HA   THR  35           HA       THR  35  -5.920  -5.420   0.782
  266    HB   THR  35           HB       THR  35  -5.947  -3.912   3.390
  267    HG1  THR  35           HG1      THR  35  -4.512  -6.101   2.404
  268   HG21  THR  35          HG21      THR  35  -8.086  -5.083   2.912
  269   HG22  THR  35          HG22      THR  35  -7.230  -5.720   4.320
  270   HG23  THR  35          HG23      THR  35  -7.178  -6.594   2.789
  271    HA   PRO  36           HA       PRO  36  -9.257  -2.754  -0.528
  272    HB2  PRO  36           HB2      PRO  36 -10.949  -4.698  -1.314
  273    HB3  PRO  36           HB3      PRO  36  -9.528  -4.249  -2.261
  274    HG2  PRO  36           HG2      PRO  36  -9.913  -6.549  -0.387
  275    HG3  PRO  36           HG3      PRO  36  -9.118  -6.517  -1.973
  276    HD2  PRO  36           HD2      PRO  36  -7.755  -6.449   0.387
  277    HD3  PRO  36           HD3      PRO  36  -7.152  -5.708  -1.109
  278    H    LYS  37           H        LYS  37 -11.851  -3.264  -0.294
  279    HA   LYS  37           HA       LYS  37 -12.290  -3.133   2.570
  280    HB2  LYS  37           HB2      LYS  37 -14.276  -2.773   0.318
  281    HB3  LYS  37           HB3      LYS  37 -14.517  -2.343   2.005
  282    HG2  LYS  37           HG2      LYS  37 -12.745  -0.662   1.824
  283    HG3  LYS  37           HG3      LYS  37 -12.531  -1.087   0.125
  284    HD2  LYS  37           HD2      LYS  37 -14.909  -0.478  -0.268
  285    HD3  LYS  37           HD3      LYS  37 -15.002   0.075   1.405
  286    HE2  LYS  37           HE2      LYS  37 -14.620   1.980   0.013
  287    HE3  LYS  37           HE3      LYS  37 -13.143   1.657   0.916
  288    HZ1  LYS  37           HZ1      LYS  37 -12.270   0.521  -1.064
  289    HZ2  LYS  37           HZ2      LYS  37 -12.616   2.145  -1.362
  290    HZ3  LYS  37           HZ3      LYS  37 -13.665   0.945  -1.920
  Start of MODEL   15
    1    H1   VAL   1           H1       VAL   1  -4.297  -7.198  -2.124
    2    H2   VAL   1           H2       VAL   1  -3.600  -5.796  -1.492
    3    H3   VAL   1           H3       VAL   1  -2.614  -7.100  -1.935
    4    HA   VAL   1           HA       VAL   1  -3.399  -6.817  -4.254
    5    HB   VAL   1           HB       VAL   1  -4.464  -4.213  -3.157
    6   HG11  VAL   1          HG11      VAL   1  -3.461  -3.995  -5.389
    7   HG12  VAL   1          HG12      VAL   1  -5.211  -3.786  -5.437
    8   HG13  VAL   1          HG13      VAL   1  -4.490  -5.303  -5.971
    9   HG21  VAL   1          HG21      VAL   1  -6.647  -5.087  -3.885
   10   HG22  VAL   1          HG22      VAL   1  -5.926  -6.062  -2.611
   11   HG23  VAL   1          HG23      VAL   1  -5.884  -6.621  -4.281
   12    H    GLY   2           H        GLY   2  -1.246  -6.820  -4.693
   13    HA2  GLY   2           HA2      GLY   2   0.574  -4.936  -3.536
   14    HA3  GLY   2           HA3      GLY   2   0.947  -6.116  -4.784
   15    H    ILE   3           H        ILE   3   1.091  -2.981  -4.207
   16    HA   ILE   3           HA       ILE   3   0.252  -2.150  -6.898
   17    HB   ILE   3           HB       ILE   3   0.575   0.181  -6.011
   18   HG12  ILE   3          HG12      ILE   3   0.719  -1.238  -3.343
   19   HG13  ILE   3          HG13      ILE   3   2.087  -0.475  -4.145
   20   HG21  ILE   3          HG21      ILE   3  -1.532   0.196  -4.744
   21   HG22  ILE   3          HG22      ILE   3  -1.446  -1.562  -4.608
   22   HG23  ILE   3          HG23      ILE   3  -1.632  -0.810  -6.192
   23   HD11  ILE   3          HD11      ILE   3   1.078   1.681  -3.923
   24   HD12  ILE   3          HD12      ILE   3   1.084   0.888  -2.348
   25   HD13  ILE   3          HD13      ILE   3  -0.406   0.971  -3.290
   26    H    ASN   4           H        ASN   4   1.729  -0.114  -7.515
   27    HA   ASN   4           HA       ASN   4   4.295  -1.313  -8.094
   28    HB2  ASN   4           HB2      ASN   4   4.589   0.647  -9.603
   29    HB3  ASN   4           HB3      ASN   4   3.125  -0.265  -9.933
   30   HD21  ASN   4          HD21      ASN   4   3.836   2.513 -10.543
   31   HD22  ASN   4          HD22      ASN   4   2.586   3.483  -9.839
   32    H    VAL   5           H        VAL   5   4.137  -0.716  -5.408
   33    HA   VAL   5           HA       VAL   5   6.077   1.485  -5.178
   34    HB   VAL   5           HB       VAL   5   3.849   0.881  -3.221
   35   HG11  VAL   5          HG11      VAL   5   4.609   2.838  -1.988
   36   HG12  VAL   5          HG12      VAL   5   5.943   3.052  -3.124
   37   HG13  VAL   5          HG13      VAL   5   5.893   1.629  -2.082
   38   HG21  VAL   5          HG21      VAL   5   3.241   3.265  -3.822
   39   HG22  VAL   5          HG22      VAL   5   2.871   2.016  -5.007
   40   HG23  VAL   5          HG23      VAL   5   4.277   3.060  -5.227
   41    H    LYS   6           H        LYS   6   7.564   1.280  -3.467
   42    HA   LYS   6           HA       LYS   6   8.236  -1.522  -2.945
   43    HB2  LYS   6           HB2      LYS   6   9.883   1.004  -2.752
   44    HB3  LYS   6           HB3      LYS   6  10.479  -0.594  -2.329
   45    HG2  LYS   6           HG2      LYS   6   9.463   0.185  -5.051
   46    HG3  LYS   6           HG3      LYS   6  11.163   0.152  -4.580
   47    HD2  LYS   6           HD2      LYS   6  10.953  -2.248  -4.072
   48    HD3  LYS   6           HD3      LYS   6   9.269  -2.198  -4.598
   49    HE2  LYS   6           HE2      LYS   6  10.722  -3.070  -6.355
   50    HE3  LYS   6           HE3      LYS   6   9.977  -1.547  -6.836
   51    HZ1  LYS   6           HZ1      LYS   6  12.010  -0.399  -6.355
   52    HZ2  LYS   6           HZ2      LYS   6  12.347  -1.682  -7.400
   53    HZ3  LYS   6           HZ3      LYS   6  12.729  -1.809  -5.759
   54    H    CYS   7           H        CYS   7   8.814  -2.257  -0.907
   55    HA   CYS   7           HA       CYS   7   7.160  -1.169   1.176
   56    HB2  CYS   7           HB2      CYS   7   7.247  -3.563   0.836
   57    HB3  CYS   7           HB3      CYS   7   8.985  -3.578   1.080
   58    H    LYS   8           H        LYS   8   8.896   0.808   0.813
   59    HA   LYS   8           HA       LYS   8  10.794   0.618   3.009
   60    HB2  LYS   8           HB2      LYS   8  10.189   2.816   1.024
   61    HB3  LYS   8           HB3      LYS   8  11.240   3.050   2.409
   62    HG2  LYS   8           HG2      LYS   8  11.702   0.988   0.264
   63    HG3  LYS   8           HG3      LYS   8  12.452   2.585   0.305
   64    HD2  LYS   8           HD2      LYS   8  13.368   1.997   2.564
   65    HD3  LYS   8           HD3      LYS   8  12.773   0.357   2.311
   66    HE2  LYS   8           HE2      LYS   8  14.708   1.771   0.484
   67    HE3  LYS   8           HE3      LYS   8  15.182   0.664   1.769
   68    HZ1  LYS   8           HZ1      LYS   8  13.476  -0.027  -0.562
   69    HZ2  LYS   8           HZ2      LYS   8  13.945  -1.089   0.666
   70    HZ3  LYS   8           HZ3      LYS   8  15.105  -0.438  -0.375
   71    H    HIS   9           H        HIS   9   9.775   0.629   4.899
   72    HA   HIS   9           HA       HIS   9   8.658   1.398   6.720
   73    HB2  HIS   9           HB2      HIS   9   7.890   3.965   5.379
   74    HB3  HIS   9           HB3      HIS   9   8.341   3.674   7.052
   75    HD1  HIS   9           HD1      HIS   9   9.732   4.410   3.707
   76    HD2  HIS   9           HD2      HIS   9  11.141   3.736   7.550
   77    HE1  HIS   9           HE1      HIS   9  12.156   4.995   3.623
   78    HE2  HIS   9           HE2      HIS   9  13.032   4.457   5.930
   79    H    SER  10           H        SER  10   6.787   0.523   7.232
   80    HA   SER  10           HA       SER  10   4.804  -0.098   5.357
   81    HB2  SER  10           HB2      SER  10   3.453  -0.665   7.475
   82    HB3  SER  10           HB3      SER  10   4.973  -1.523   7.219
   83    HG   SER  10           HG       SER  10   5.662  -0.714   9.012
   84    H    GLY  11           H        GLY  11   5.173   2.665   7.443
   85    HA2  GLY  11           HA2      GLY  11   2.480   3.576   7.313
   86    HA3  GLY  11           HA3      GLY  11   3.879   4.536   7.770
   87    H    GLN  12           H        GLN  12   5.089   3.678   5.078
   88    HA   GLN  12           HA       GLN  12   4.207   6.025   3.676
   89    HB2  GLN  12           HB2      GLN  12   6.545   5.464   3.594
   90    HB3  GLN  12           HB3      GLN  12   6.198   3.864   2.949
   91    HG2  GLN  12           HG2      GLN  12   5.351   4.877   0.900
   92    HG3  GLN  12           HG3      GLN  12   5.679   6.478   1.559
   93   HE21  GLN  12          HE21      GLN  12   8.167   5.780   2.791
   94   HE22  GLN  12          HE22      GLN  12   9.316   5.570   1.516
   95    H    CYS  13           H        CYS  13   3.643   2.590   3.465
   96    HA   CYS  13           HA       CYS  13   2.752   2.514   0.785
   97    HB2  CYS  13           HB2      CYS  13   2.189   0.642   3.090
   98    HB3  CYS  13           HB3      CYS  13   1.775   0.306   1.414
   99    H    LEU  14           H        LEU  14   1.255   3.661   3.628
  100    HA   LEU  14           HA       LEU  14  -1.452   3.130   3.026
  101    HB2  LEU  14           HB2      LEU  14   0.031   4.686   4.955
  102    HB3  LEU  14           HB3      LEU  14  -1.398   5.541   4.430
  103    HG   LEU  14           HG       LEU  14  -1.795   4.237   6.469
  104   HD11  LEU  14          HD11      LEU  14  -3.219   3.354   3.983
  105   HD12  LEU  14          HD12      LEU  14  -3.685   4.642   5.090
  106   HD13  LEU  14          HD13      LEU  14  -3.772   2.958   5.608
  107   HD21  LEU  14          HD21      LEU  14  -1.289   1.807   4.751
  108   HD22  LEU  14          HD22      LEU  14  -1.761   1.830   6.452
  109   HD23  LEU  14          HD23      LEU  14  -0.173   2.428   5.972
  110    H    LYS  15           H        LYS  15   0.737   5.686   2.057
  111    HA   LYS  15           HA       LYS  15  -1.231   7.513   1.181
  112    HB2  LYS  15           HB2      LYS  15   1.711   7.267   0.658
  113    HB3  LYS  15           HB3      LYS  15   0.749   8.475  -0.175
  114    HG2  LYS  15           HG2      LYS  15   1.796   9.496   1.714
  115    HG3  LYS  15           HG3      LYS  15   0.066   9.382   2.029
  116    HD2  LYS  15           HD2      LYS  15   0.425   7.442   3.444
  117    HD3  LYS  15           HD3      LYS  15   2.150   7.464   3.072
  118    HE2  LYS  15           HE2      LYS  15   1.708   8.462   5.256
  119    HE3  LYS  15           HE3      LYS  15   2.358   9.652   4.132
  120    HZ1  LYS  15           HZ1      LYS  15  -0.516   9.334   4.794
  121    HZ2  LYS  15           HZ2      LYS  15   0.151  10.517   3.788
  122    HZ3  LYS  15           HZ3      LYS  15   0.504  10.516   5.440
  123    HA   PRO  16           HA       PRO  16  -0.470   6.006  -3.282
  124    HB2  PRO  16           HB2      PRO  16   0.821   3.650  -3.704
  125    HB3  PRO  16           HB3      PRO  16   1.634   5.214  -3.669
  126    HG2  PRO  16           HG2      PRO  16   1.488   3.108  -1.567
  127    HG3  PRO  16           HG3      PRO  16   2.830   4.179  -1.997
  128    HD2  PRO  16           HD2      PRO  16   1.189   4.570   0.159
  129    HD3  PRO  16           HD3      PRO  16   2.068   5.867  -0.671
  130    H    CYS  17           H        CYS  17  -1.201   3.765  -0.730
  131    HA   CYS  17           HA       CYS  17  -2.768   2.008  -2.334
  132    HB2  CYS  17           HB2      CYS  17  -2.345   2.380   0.608
  133    HB3  CYS  17           HB3      CYS  17  -3.593   1.308   0.008
  134    H    LYS  18           H        LYS  18  -3.480   4.802  -0.240
  135    HA   LYS  18           HA       LYS  18  -6.298   4.573  -0.522
  136    HB2  LYS  18           HB2      LYS  18  -6.440   6.752   0.442
  137    HB3  LYS  18           HB3      LYS  18  -5.137   5.912   1.265
  138    HG2  LYS  18           HG2      LYS  18  -3.493   7.178   0.198
  139    HG3  LYS  18           HG3      LYS  18  -4.607   7.732  -1.053
  140    HD2  LYS  18           HD2      LYS  18  -5.849   8.995   0.686
  141    HD3  LYS  18           HD3      LYS  18  -4.624   8.513   1.861
  142    HE2  LYS  18           HE2      LYS  18  -2.916   9.682   0.647
  143    HE3  LYS  18           HE3      LYS  18  -4.028  10.026  -0.676
  144    HZ1  LYS  18           HZ1      LYS  18  -4.266  11.063   2.093
  145    HZ2  LYS  18           HZ2      LYS  18  -5.328  11.398   0.823
  146    HZ3  LYS  18           HZ3      LYS  18  -3.731  11.943   0.753
  147    H    LYS  19           H        LYS  19  -3.752   5.867  -2.464
  148    HA   LYS  19           HA       LYS  19  -5.424   7.452  -4.182
  149    HB2  LYS  19           HB2      LYS  19  -2.629   6.377  -4.647
  150    HB3  LYS  19           HB3      LYS  19  -3.431   7.601  -5.621
  151    HG2  LYS  19           HG2      LYS  19  -3.463   9.117  -3.714
  152    HG3  LYS  19           HG3      LYS  19  -2.694   7.882  -2.714
  153    HD2  LYS  19           HD2      LYS  19  -0.760   7.901  -4.269
  154    HD3  LYS  19           HD3      LYS  19  -1.521   9.227  -5.147
  155    HE2  LYS  19           HE2      LYS  19  -1.478  10.581  -3.091
  156    HE3  LYS  19           HE3      LYS  19  -0.670   9.258  -2.253
  157    HZ1  LYS  19           HZ1      LYS  19   1.171   9.459  -3.825
  158    HZ2  LYS  19           HZ2      LYS  19   0.924  10.897  -2.976
  159    HZ3  LYS  19           HZ3      LYS  19   0.402  10.764  -4.578
  160    H    ALA  20           H        ALA  20  -4.475   4.193  -3.870
  161    HA   ALA  20           HA       ALA  20  -5.203   3.384  -6.545
  162    HB1  ALA  20           HB1      ALA  20  -4.447   1.849  -4.059
  163    HB2  ALA  20           HB2      ALA  20  -3.454   2.149  -5.490
  164    HB3  ALA  20           HB3      ALA  20  -4.855   1.082  -5.597
  165    H    GLY  21           H        GLY  21  -6.903   4.289  -3.860
  166    HA2  GLY  21           HA2      GLY  21  -9.215   4.290  -3.590
  167    HA3  GLY  21           HA3      GLY  21  -9.343   3.103  -4.880
  168    H    MET  22           H        MET  22  -7.034   2.299  -2.535
  169    HA   MET  22           HA       MET  22  -8.805   0.179  -1.593
  170    HB2  MET  22           HB2      MET  22  -5.805   0.475  -1.496
  171    HB3  MET  22           HB3      MET  22  -6.675  -0.846  -0.740
  172    HG2  MET  22           HG2      MET  22  -6.598  -0.188  -3.670
  173    HG3  MET  22           HG3      MET  22  -5.840  -1.563  -2.863
  174    HE1  MET  22           HE1      MET  22  -7.799  -1.752  -5.436
  175    HE2  MET  22           HE2      MET  22  -8.738  -3.178  -4.997
  176    HE3  MET  22           HE3      MET  22  -7.000  -3.143  -4.706
  177    H    ARG  23           H        ARG  23  -8.072  -0.568   0.780
  178    HA   ARG  23           HA       ARG  23  -9.039   1.659   2.353
  179    HB2  ARG  23           HB2      ARG  23  -9.906  -0.691   2.560
  180    HB3  ARG  23           HB3      ARG  23  -8.379  -1.126   3.306
  181    HG2  ARG  23           HG2      ARG  23  -8.875  -0.092   5.256
  182    HG3  ARG  23           HG3      ARG  23  -9.843   1.159   4.476
  183    HD2  ARG  23           HD2      ARG  23 -11.165  -0.424   5.873
  184    HD3  ARG  23           HD3      ARG  23 -11.681  -0.349   4.190
  185    HE   ARG  23           HE       ARG  23  -9.851  -2.477   5.030
  186   HH11  ARG  23          HH11      ARG  23 -13.049  -1.493   4.003
  187   HH12  ARG  23          HH12      ARG  23 -13.556  -3.102   3.605
  188   HH21  ARG  23          HH21      ARG  23 -10.517  -4.591   4.514
  189   HH22  ARG  23          HH22      ARG  23 -12.114  -4.867   3.892
  190    H    PHE  24           H        PHE  24  -6.434  -0.667   3.159
  191    HA   PHE  24           HA       PHE  24  -4.842   1.633   4.063
  192    HB2  PHE  24           HB2      PHE  24  -4.060  -0.939   5.223
  193    HB3  PHE  24           HB3      PHE  24  -4.292   0.616   6.007
  194    HD1  PHE  24           HD1      PHE  24  -5.902  -2.469   4.924
  195    HD2  PHE  24           HD2      PHE  24  -6.337   1.120   7.149
  196    HE1  PHE  24           HE1      PHE  24  -7.941  -3.361   5.930
  197    HE2  PHE  24           HE2      PHE  24  -8.390   0.231   8.184
  198    HZ   PHE  24           HZ       PHE  24  -9.194  -2.017   7.581
  199    H    GLY  25           H        GLY  25  -2.458   0.634   4.372
  200    HA2  GLY  25           HA2      GLY  25  -1.761  -0.844   1.940
  201    HA3  GLY  25           HA3      GLY  25  -0.971   0.689   2.287
  202    H    LYS  26           H        LYS  26  -1.006  -2.651   2.850
  203    HA   LYS  26           HA       LYS  26   0.643  -2.540   5.234
  204    HB2  LYS  26           HB2      LYS  26  -1.108  -4.326   4.773
  205    HB3  LYS  26           HB3      LYS  26  -0.024  -4.943   3.536
  206    HG2  LYS  26           HG2      LYS  26   1.674  -5.398   5.201
  207    HG3  LYS  26           HG3      LYS  26   0.641  -4.719   6.460
  208    HD2  LYS  26           HD2      LYS  26  -1.038  -6.450   5.989
  209    HD3  LYS  26           HD3      LYS  26   0.033  -7.143   4.771
  210    HE2  LYS  26           HE2      LYS  26   1.701  -7.606   6.477
  211    HE3  LYS  26           HE3      LYS  26   0.679  -6.856   7.702
  212    HZ1  LYS  26           HZ1      LYS  26   0.513  -9.279   7.715
  213    HZ2  LYS  26           HZ2      LYS  26  -0.048  -9.261   6.121
  214    HZ3  LYS  26           HZ3      LYS  26  -0.972  -8.559   7.348
  215    H    CYS  27           H        CYS  27   2.770  -3.522   5.267
  216    HA   CYS  27           HA       CYS  27   4.214  -2.917   2.795
  217    HB2  CYS  27           HB2      CYS  27   4.762  -2.132   5.317
  218    HB3  CYS  27           HB3      CYS  27   5.699  -3.620   5.267
  219    H    ILE  28           H        ILE  28   4.557  -4.575   1.493
  220    HA   ILE  28           HA       ILE  28   4.500  -7.267   2.646
  221    HB   ILE  28           HB       ILE  28   2.849  -6.254   0.779
  222   HG12  ILE  28          HG12      ILE  28   2.314  -8.570   0.139
  223   HG13  ILE  28          HG13      ILE  28   3.804  -9.118   0.898
  224   HG21  ILE  28          HG21      ILE  28   5.025  -7.584  -0.815
  225   HG22  ILE  28          HG22      ILE  28   4.565  -5.883  -0.875
  226   HG23  ILE  28          HG23      ILE  28   3.437  -7.122  -1.427
  227   HD11  ILE  28          HD11      ILE  28   1.577  -7.701   2.346
  228   HD12  ILE  28          HD12      ILE  28   3.001  -8.458   3.059
  229   HD13  ILE  28          HD13      ILE  28   1.776  -9.452   2.278
  230    H    ASN  29           H        ASN  29   5.693  -8.846   0.973
  231    HA   ASN  29           HA       ASN  29   8.398  -8.524   1.386
  232    HB2  ASN  29           HB2      ASN  29   7.263 -10.092  -0.930
  233    HB3  ASN  29           HB3      ASN  29   8.736 -10.417  -0.024
  234   HD21  ASN  29          HD21      ASN  29   5.316 -10.750  -0.143
  235   HD22  ASN  29          HD22      ASN  29   5.152 -11.775   1.243
  236    H    GLY  30           H        GLY  30   8.965  -6.402   0.760
  237    HA2  GLY  30           HA2      GLY  30  10.336  -5.177  -0.670
  238    HA3  GLY  30           HA3      GLY  30   9.937  -6.287  -1.970
  239    H    LYS  31           H        LYS  31   6.972  -5.701  -0.999
  240    HA   LYS  31           HA       LYS  31   6.733  -3.307  -2.716
  241    HB2  LYS  31           HB2      LYS  31   4.967  -5.763  -2.789
  242    HB3  LYS  31           HB3      LYS  31   4.734  -4.310  -3.745
  243    HG2  LYS  31           HG2      LYS  31   6.765  -4.723  -4.962
  244    HG3  LYS  31           HG3      LYS  31   7.145  -6.102  -3.925
  245    HD2  LYS  31           HD2      LYS  31   5.127  -7.245  -4.710
  246    HD3  LYS  31           HD3      LYS  31   4.746  -5.867  -5.743
  247    HE2  LYS  31           HE2      LYS  31   7.233  -7.562  -5.947
  248    HE3  LYS  31           HE3      LYS  31   5.809  -7.724  -6.972
  249    HZ1  LYS  31           HZ1      LYS  31   7.554  -5.330  -6.782
  250    HZ2  LYS  31           HZ2      LYS  31   6.165  -5.452  -7.740
  251    HZ3  LYS  31           HZ3      LYS  31   7.505  -6.429  -8.063
  252    H    CYS  32           H        CYS  32   4.316  -2.498  -2.573
  253    HA   CYS  32           HA       CYS  32   3.467  -2.654   0.236
  254    HB2  CYS  32           HB2      CYS  32   2.823  -0.591  -1.888
  255    HB3  CYS  32           HB3      CYS  32   2.103  -0.620  -0.282
  256    H    ASP  33           H        ASP  33   1.799  -3.912   0.678
  257    HA   ASP  33           HA       ASP  33  -0.003  -4.666  -1.512
  258    HB2  ASP  33           HB2      ASP  33   1.088  -6.532  -0.448
  259    HB3  ASP  33           HB3      ASP  33   0.529  -6.020   1.138
  260    H    CYS  34           H        CYS  34  -1.673  -3.457  -1.609
  261    HA   CYS  34           HA       CYS  34  -2.725  -2.055   0.684
  262    HB2  CYS  34           HB2      CYS  34  -3.906  -2.193  -2.086
  263    HB3  CYS  34           HB3      CYS  34  -4.183  -0.959  -0.865
  264    H    THR  35           H        THR  35  -4.650  -2.423   1.713
  265    HA   THR  35           HA       THR  35  -5.841  -5.045   1.299
  266    HB   THR  35           HB       THR  35  -6.664  -2.973   3.324
  267    HG1  THR  35           HG1      THR  35  -4.472  -4.785   3.324
  268   HG21  THR  35          HG21      THR  35  -8.176  -4.850   3.144
  269   HG22  THR  35          HG22      THR  35  -7.259  -4.991   4.645
  270   HG23  THR  35          HG23      THR  35  -6.833  -5.988   3.254
  271    HA   PRO  36           HA       PRO  36  -8.856  -3.044  -1.267
  272    HB2  PRO  36           HB2      PRO  36 -10.298  -5.305  -1.849
  273    HB3  PRO  36           HB3      PRO  36  -8.842  -4.789  -2.692
  274    HG2  PRO  36           HG2      PRO  36  -9.237  -6.990  -0.809
  275    HG3  PRO  36           HG3      PRO  36  -7.934  -6.731  -1.977
  276    HD2  PRO  36           HD2      PRO  36  -7.862  -6.328   0.825
  277    HD3  PRO  36           HD3      PRO  36  -6.593  -5.950  -0.349
  278    H    LYS  37           H        LYS  37 -10.410  -1.869  -0.494
  279    HA   LYS  37           HA       LYS  37 -11.876  -2.464   1.825
  280    HB2  LYS  37           HB2      LYS  37 -13.313  -0.485   1.082
  281    HB3  LYS  37           HB3      LYS  37 -11.616  -0.180   1.396
  282    HG2  LYS  37           HG2      LYS  37 -12.005   1.026  -0.531
  283    HG3  LYS  37           HG3      LYS  37 -11.331  -0.473  -1.160
  284    HD2  LYS  37           HD2      LYS  37 -13.605  -1.287  -1.605
  285    HD3  LYS  37           HD3      LYS  37 -14.257   0.240  -1.010
  286    HE2  LYS  37           HE2      LYS  37 -12.412  -0.090  -3.375
  287    HE3  LYS  37           HE3      LYS  37 -14.151   0.180  -3.459
  288    HZ1  LYS  37           HZ1      LYS  37 -13.793   2.309  -2.304
  289    HZ2  LYS  37           HZ2      LYS  37 -13.007   2.236  -3.799
  290    HZ3  LYS  37           HZ3      LYS  37 -12.119   2.052  -2.373
  Start of MODEL   16
    1    H1   VAL   1           H1       VAL   1  -3.293  -8.534  -4.228
    2    H2   VAL   1           H2       VAL   1  -4.468  -7.942  -3.172
    3    H3   VAL   1           H3       VAL   1  -2.839  -7.545  -2.928
    4    HA   VAL   1           HA       VAL   1  -4.479  -6.746  -5.255
    5    HB   VAL   1           HB       VAL   1  -3.592  -5.190  -2.828
    6   HG11  VAL   1          HG11      VAL   1  -3.183  -3.841  -4.832
    7   HG12  VAL   1          HG12      VAL   1  -4.541  -3.206  -3.904
    8   HG13  VAL   1          HG13      VAL   1  -4.835  -4.136  -5.371
    9   HG21  VAL   1          HG21      VAL   1  -6.031  -4.720  -2.684
   10   HG22  VAL   1          HG22      VAL   1  -5.633  -6.426  -2.515
   11   HG23  VAL   1          HG23      VAL   1  -6.282  -5.820  -4.037
   12    H    GLY   2           H        GLY   2  -1.556  -5.696  -3.470
   13    HA2  GLY   2           HA2      GLY   2   0.580  -5.290  -4.208
   14    HA3  GLY   2           HA3      GLY   2   0.204  -6.256  -5.625
   15    H    ILE   3           H        ILE   3   1.115  -3.260  -4.615
   16    HA   ILE   3           HA       ILE   3   0.168  -2.038  -7.126
   17    HB   ILE   3           HB       ILE   3   0.493   0.168  -6.017
   18   HG12  ILE   3          HG12      ILE   3   0.733  -1.470  -3.484
   19   HG13  ILE   3          HG13      ILE   3   2.065  -0.626  -4.266
   20   HG21  ILE   3          HG21      ILE   3  -1.548   0.053  -4.619
   21   HG22  ILE   3          HG22      ILE   3  -1.492  -1.705  -4.744
   22   HG23  ILE   3          HG23      ILE   3  -1.729  -0.725  -6.191
   23   HD11  ILE   3          HD11      ILE   3   1.058   1.495  -3.819
   24   HD12  ILE   3          HD12      ILE   3   1.117   0.567  -2.322
   25   HD13  ILE   3          HD13      ILE   3  -0.403   0.723  -3.204
   26    H    ASN   4           H        ASN   4   1.721  -0.321  -7.904
   27    HA   ASN   4           HA       ASN   4   4.383  -1.440  -7.981
   28    HB2  ASN   4           HB2      ASN   4   3.205  -0.429  -9.986
   29    HB3  ASN   4           HB3      ASN   4   3.452   1.145  -9.240
   30   HD21  ASN   4          HD21      ASN   4   5.658   1.821  -8.840
   31   HD22  ASN   4          HD22      ASN   4   6.911   1.268  -9.908
   32    H    VAL   5           H        VAL   5   4.486  -1.023  -5.563
   33    HA   VAL   5           HA       VAL   5   6.046   1.396  -5.164
   34    HB   VAL   5           HB       VAL   5   3.776   0.718  -3.277
   35   HG11  VAL   5          HG11      VAL   5   4.477   3.147  -2.551
   36   HG12  VAL   5          HG12      VAL   5   6.033   2.642  -3.204
   37   HG13  VAL   5          HG13      VAL   5   5.281   1.724  -1.898
   38   HG21  VAL   5          HG21      VAL   5   2.757   2.833  -3.980
   39   HG22  VAL   5          HG22      VAL   5   2.881   1.693  -5.321
   40   HG23  VAL   5          HG23      VAL   5   4.019   3.034  -5.195
   41    H    LYS   6           H        LYS   6   7.759   1.012  -3.859
   42    HA   LYS   6           HA       LYS   6   8.064  -1.667  -2.786
   43    HB2  LYS   6           HB2      LYS   6   9.979   0.673  -2.843
   44    HB3  LYS   6           HB3      LYS   6  10.379  -0.947  -2.288
   45    HG2  LYS   6           HG2      LYS   6   9.910  -1.822  -4.529
   46    HG3  LYS   6           HG3      LYS   6   9.547  -0.186  -5.080
   47    HD2  LYS   6           HD2      LYS   6  11.828   0.506  -4.538
   48    HD3  LYS   6           HD3      LYS   6  12.194  -1.126  -3.977
   49    HE2  LYS   6           HE2      LYS   6  13.038  -0.819  -6.224
   50    HE3  LYS   6           HE3      LYS   6  11.716  -1.986  -6.231
   51    HZ1  LYS   6           HZ1      LYS   6  11.550  -0.415  -8.064
   52    HZ2  LYS   6           HZ2      LYS   6  11.478   0.877  -6.976
   53    HZ3  LYS   6           HZ3      LYS   6  10.233  -0.263  -7.016
   54    H    CYS   7           H        CYS   7   8.156  -2.197  -0.651
   55    HA   CYS   7           HA       CYS   7   6.803  -0.509   1.175
   56    HB2  CYS   7           HB2      CYS   7   6.504  -2.792   1.592
   57    HB3  CYS   7           HB3      CYS   7   8.226  -3.141   1.454
   58    H    LYS   8           H        LYS   8   7.860   1.397   1.621
   59    HA   LYS   8           HA       LYS   8  10.513   1.254   2.794
   60    HB2  LYS   8           HB2      LYS   8   8.668   3.639   2.510
   61    HB3  LYS   8           HB3      LYS   8  10.378   3.677   2.917
   62    HG2  LYS   8           HG2      LYS   8   9.213   2.773   0.290
   63    HG3  LYS   8           HG3      LYS   8   9.995   4.324   0.601
   64    HD2  LYS   8           HD2      LYS   8  12.090   3.210   1.081
   65    HD3  LYS   8           HD3      LYS   8  11.324   1.631   0.897
   66    HE2  LYS   8           HE2      LYS   8  10.874   2.098  -1.443
   67    HE3  LYS   8           HE3      LYS   8  11.562   3.711  -1.273
   68    HZ1  LYS   8           HZ1      LYS   8  13.692   2.669  -0.715
   69    HZ2  LYS   8           HZ2      LYS   8  13.161   2.238  -2.262
   70    HZ3  LYS   8           HZ3      LYS   8  13.017   1.141  -0.980
   71    H    HIS   9           H        HIS   9   7.203   2.189   3.650
   72    HA   HIS   9           HA       HIS   9   7.583   1.264   6.384
   73    HB2  HIS   9           HB2      HIS   9   6.560   4.074   5.886
   74    HB3  HIS   9           HB3      HIS   9   6.914   3.324   7.437
   75    HD1  HIS   9           HD1      HIS   9   8.539   4.953   4.506
   76    HD2  HIS   9           HD2      HIS   9   9.629   3.340   8.176
   77    HE1  HIS   9           HE1      HIS   9  10.963   5.492   4.774
   78    HE2  HIS   9           HE2      HIS   9  11.591   4.603   7.050
   79    H    SER  10           H        SER  10   5.715   0.431   7.176
   80    HA   SER  10           HA       SER  10   3.613  -0.133   5.410
   81    HB2  SER  10           HB2      SER  10   2.479  -0.997   7.517
   82    HB3  SER  10           HB3      SER  10   4.067  -1.676   7.161
   83    HG   SER  10           HG       SER  10   4.282  -1.123   9.226
   84    H    GLY  11           H        GLY  11   3.994   2.348   7.869
   85    HA2  GLY  11           HA2      GLY  11   1.293   3.275   7.739
   86    HA3  GLY  11           HA3      GLY  11   2.657   4.141   8.432
   87    H    GLN  12           H        GLN  12   4.215   3.958   5.953
   88    HA   GLN  12           HA       GLN  12   3.215   6.365   4.743
   89    HB2  GLN  12           HB2      GLN  12   5.654   5.866   5.098
   90    HB3  GLN  12           HB3      GLN  12   5.534   4.647   3.837
   91    HG2  GLN  12           HG2      GLN  12   4.827   6.426   2.263
   92    HG3  GLN  12           HG3      GLN  12   5.110   7.608   3.540
   93   HE21  GLN  12          HE21      GLN  12   6.561   5.440   1.270
   94   HE22  GLN  12          HE22      GLN  12   8.180   6.030   1.435
   95    H    CYS  13           H        CYS  13   2.903   3.027   4.203
   96    HA   CYS  13           HA       CYS  13   2.589   3.016   1.387
   97    HB2  CYS  13           HB2      CYS  13   2.440   1.117   3.571
   98    HB3  CYS  13           HB3      CYS  13   1.174   0.834   2.382
   99    H    LEU  14           H        LEU  14   0.581   4.105   3.878
  100    HA   LEU  14           HA       LEU  14  -1.952   3.556   2.738
  101    HB2  LEU  14           HB2      LEU  14  -0.913   5.430   4.805
  102    HB3  LEU  14           HB3      LEU  14  -2.515   5.707   4.156
  103    HG   LEU  14           HG       LEU  14  -3.182   3.434   4.859
  104   HD11  LEU  14          HD11      LEU  14  -1.780   2.020   6.104
  105   HD12  LEU  14          HD12      LEU  14  -0.567   3.274   6.327
  106   HD13  LEU  14          HD13      LEU  14  -0.805   2.549   4.738
  107   HD21  LEU  14          HD21      LEU  14  -3.585   5.326   6.340
  108   HD22  LEU  14          HD22      LEU  14  -1.987   5.116   7.058
  109   HD23  LEU  14          HD23      LEU  14  -3.218   3.869   7.263
  110    H    LYS  15           H        LYS  15   0.365   6.122   2.354
  111    HA   LYS  15           HA       LYS  15  -1.203   8.009   1.056
  112    HB2  LYS  15           HB2      LYS  15   1.738   7.450   0.727
  113    HB3  LYS  15           HB3      LYS  15   0.925   8.873   0.095
  114    HG2  LYS  15           HG2      LYS  15   0.256   9.454   2.410
  115    HG3  LYS  15           HG3      LYS  15   1.222   8.093   2.985
  116    HD2  LYS  15           HD2      LYS  15   3.222   9.088   2.002
  117    HD3  LYS  15           HD3      LYS  15   2.261  10.440   1.399
  118    HE2  LYS  15           HE2      LYS  15   1.644  10.974   3.743
  119    HE3  LYS  15           HE3      LYS  15   2.733   9.698   4.282
  120    HZ1  LYS  15           HZ1      LYS  15   3.822  11.822   4.405
  121    HZ2  LYS  15           HZ2      LYS  15   3.495  12.139   2.780
  122    HZ3  LYS  15           HZ3      LYS  15   4.560  10.895   3.196
  123    HA   PRO  16           HA       PRO  16  -0.244   6.135  -3.214
  124    HB2  PRO  16           HB2      PRO  16   0.888   3.679  -3.411
  125    HB3  PRO  16           HB3      PRO  16   1.821   5.177  -3.390
  126    HG2  PRO  16           HG2      PRO  16   1.355   3.204  -1.209
  127    HG3  PRO  16           HG3      PRO  16   2.807   4.145  -1.584
  128    HD2  PRO  16           HD2      PRO  16   1.031   4.775   0.417
  129    HD3  PRO  16           HD3      PRO  16   2.095   5.945  -0.382
  130    H    CYS  17           H        CYS  17  -1.197   3.977  -0.615
  131    HA   CYS  17           HA       CYS  17  -2.771   2.276  -2.266
  132    HB2  CYS  17           HB2      CYS  17  -2.414   2.604   0.687
  133    HB3  CYS  17           HB3      CYS  17  -3.654   1.553   0.036
  134    H    LYS  18           H        LYS  18  -3.439   5.166  -0.340
  135    HA   LYS  18           HA       LYS  18  -6.262   5.001  -0.566
  136    HB2  LYS  18           HB2      LYS  18  -6.294   7.316   0.103
  137    HB3  LYS  18           HB3      LYS  18  -5.063   6.491   1.044
  138    HG2  LYS  18           HG2      LYS  18  -3.322   7.420  -0.300
  139    HG3  LYS  18           HG3      LYS  18  -4.493   8.104  -1.427
  140    HD2  LYS  18           HD2      LYS  18  -3.680   9.853   0.012
  141    HD3  LYS  18           HD3      LYS  18  -5.360   9.520   0.427
  142    HE2  LYS  18           HE2      LYS  18  -4.686   8.248   2.354
  143    HE3  LYS  18           HE3      LYS  18  -2.990   8.375   1.894
  144    HZ1  LYS  18           HZ1      LYS  18  -3.151  10.783   2.197
  145    HZ2  LYS  18           HZ2      LYS  18  -3.506   9.949   3.622
  146    HZ3  LYS  18           HZ3      LYS  18  -4.756  10.620   2.705
  147    H    LYS  19           H        LYS  19  -3.715   5.937  -2.687
  148    HA   LYS  19           HA       LYS  19  -5.458   7.278  -4.581
  149    HB2  LYS  19           HB2      LYS  19  -2.548   6.477  -4.826
  150    HB3  LYS  19           HB3      LYS  19  -3.422   7.515  -5.941
  151    HG2  LYS  19           HG2      LYS  19  -2.794   8.122  -3.060
  152    HG3  LYS  19           HG3      LYS  19  -2.014   8.826  -4.475
  153    HD2  LYS  19           HD2      LYS  19  -4.919   9.129  -3.710
  154    HD3  LYS  19           HD3      LYS  19  -3.664  10.357  -3.534
  155    HE2  LYS  19           HE2      LYS  19  -3.340  10.345  -5.971
  156    HE3  LYS  19           HE3      LYS  19  -4.630   9.156  -6.126
  157    HZ1  LYS  19           HZ1      LYS  19  -6.155  10.776  -5.144
  158    HZ2  LYS  19           HZ2      LYS  19  -5.465  11.346  -6.575
  159    HZ3  LYS  19           HZ3      LYS  19  -4.909  11.918  -5.085
  160    H    ALA  20           H        ALA  20  -4.577   4.182  -3.760
  161    HA   ALA  20           HA       ALA  20  -4.969   3.052  -6.421
  162    HB1  ALA  20           HB1      ALA  20  -4.295   1.786  -3.768
  163    HB2  ALA  20           HB2      ALA  20  -3.192   2.086  -5.114
  164    HB3  ALA  20           HB3      ALA  20  -4.483   0.895  -5.280
  165    H    GLY  21           H        GLY  21  -6.862   4.174  -4.013
  166    HA2  GLY  21           HA2      GLY  21  -9.139   4.024  -3.701
  167    HA3  GLY  21           HA3      GLY  21  -9.191   2.823  -4.982
  168    H    MET  22           H        MET  22  -7.034   2.371  -2.307
  169    HA   MET  22           HA       MET  22  -8.747   0.148  -1.428
  170    HB2  MET  22           HB2      MET  22  -5.746   0.438  -1.318
  171    HB3  MET  22           HB3      MET  22  -6.639  -0.888  -0.589
  172    HG2  MET  22           HG2      MET  22  -6.531  -0.207  -3.516
  173    HG3  MET  22           HG3      MET  22  -5.721  -1.551  -2.716
  174    HE1  MET  22           HE1      MET  22  -6.754  -3.220  -4.502
  175    HE2  MET  22           HE2      MET  22  -7.578  -1.876  -5.293
  176    HE3  MET  22           HE3      MET  22  -8.479  -3.327  -4.856
  177    H    ARG  23           H        ARG  23  -7.891  -0.527   0.959
  178    HA   ARG  23           HA       ARG  23  -8.899   1.715   2.480
  179    HB2  ARG  23           HB2      ARG  23  -9.675  -0.675   2.749
  180    HB3  ARG  23           HB3      ARG  23  -8.135  -1.006   3.528
  181    HG2  ARG  23           HG2      ARG  23  -8.702   0.076   5.426
  182    HG3  ARG  23           HG3      ARG  23  -9.692   1.265   4.584
  183    HD2  ARG  23           HD2      ARG  23 -11.043  -0.226   5.990
  184    HD3  ARG  23           HD3      ARG  23 -11.457  -0.371   4.284
  185    HE   ARG  23           HE       ARG  23  -9.534  -2.317   4.997
  186   HH11  ARG  23          HH11      ARG  23 -12.923  -1.538   5.317
  187   HH12  ARG  23          HH12      ARG  23 -13.412  -3.180   5.587
  188   HH21  ARG  23          HH21      ARG  23 -10.176  -4.496   5.333
  189   HH22  ARG  23          HH22      ARG  23 -11.849  -4.862   5.597
  190    H    PHE  24           H        PHE  24  -6.230  -0.526   3.280
  191    HA   PHE  24           HA       PHE  24  -4.599   1.829   3.971
  192    HB2  PHE  24           HB2      PHE  24  -3.768  -0.581   5.373
  193    HB3  PHE  24           HB3      PHE  24  -4.081   1.025   6.009
  194    HD1  PHE  24           HD1      PHE  24  -5.577  -2.196   5.157
  195    HD2  PHE  24           HD2      PHE  24  -6.103   1.512   7.151
  196    HE1  PHE  24           HE1      PHE  24  -7.579  -3.082   6.240
  197    HE2  PHE  24           HE2      PHE  24  -8.113   0.634   8.264
  198    HZ   PHE  24           HZ       PHE  24  -8.858  -1.674   7.815
  199    H    GLY  25           H        GLY  25  -2.199   0.845   4.299
  200    HA2  GLY  25           HA2      GLY  25  -1.653  -0.819   1.934
  201    HA3  GLY  25           HA3      GLY  25  -0.703   0.611   2.299
  202    H    LYS  26           H        LYS  26  -0.987  -2.702   2.715
  203    HA   LYS  26           HA       LYS  26   0.665  -2.790   5.118
  204    HB2  LYS  26           HB2      LYS  26  -1.297  -4.358   4.733
  205    HB3  LYS  26           HB3      LYS  26  -0.339  -5.101   3.463
  206    HG2  LYS  26           HG2      LYS  26   1.379  -5.689   5.100
  207    HG3  LYS  26           HG3      LYS  26   0.396  -4.969   6.375
  208    HD2  LYS  26           HD2      LYS  26  -1.373  -6.578   5.953
  209    HD3  LYS  26           HD3      LYS  26  -0.453  -7.266   4.613
  210    HE2  LYS  26           HE2      LYS  26  -0.223  -8.653   6.587
  211    HE3  LYS  26           HE3      LYS  26   1.321  -7.910   6.178
  212    HZ1  LYS  26           HZ1      LYS  26   0.938  -6.260   7.904
  213    HZ2  LYS  26           HZ2      LYS  26   0.908  -7.822   8.548
  214    HZ3  LYS  26           HZ3      LYS  26  -0.539  -6.982   8.298
  215    H    CYS  27           H        CYS  27   2.655  -4.020   5.107
  216    HA   CYS  27           HA       CYS  27   4.133  -3.585   2.640
  217    HB2  CYS  27           HB2      CYS  27   4.884  -3.987   5.490
  218    HB3  CYS  27           HB3      CYS  27   6.040  -4.478   4.259
  219    H    ILE  28           H        ILE  28   4.766  -5.111   1.314
  220    HA   ILE  28           HA       ILE  28   4.360  -7.904   2.113
  221    HB   ILE  28           HB       ILE  28   2.894  -6.569   0.227
  222   HG12  ILE  28          HG12      ILE  28   2.105  -8.760  -0.489
  223   HG13  ILE  28          HG13      ILE  28   3.525  -9.525   0.221
  224   HG21  ILE  28          HG21      ILE  28   4.925  -8.158  -1.325
  225   HG22  ILE  28          HG22      ILE  28   4.846  -6.395  -1.262
  226   HG23  ILE  28          HG23      ILE  28   3.516  -7.312  -1.971
  227   HD11  ILE  28          HD11      ILE  28   1.522  -7.940   1.813
  228   HD12  ILE  28          HD12      ILE  28   2.791  -9.004   2.419
  229   HD13  ILE  28          HD13      ILE  28   1.412  -9.681   1.558
  230    H    ASN  29           H        ASN  29   5.601  -9.311   0.295
  231    HA   ASN  29           HA       ASN  29   8.275  -9.250   0.839
  232    HB2  ASN  29           HB2      ASN  29   7.111 -10.172  -1.793
  233    HB3  ASN  29           HB3      ASN  29   8.604 -10.727  -1.047
  234   HD21  ASN  29          HD21      ASN  29   6.250 -12.209  -1.889
  235   HD22  ASN  29          HD22      ASN  29   5.676 -13.038  -0.486
  236    H    GLY  30           H        GLY  30   9.038  -7.099   0.738
  237    HA2  GLY  30           HA2      GLY  30  10.429  -5.551  -0.258
  238    HA3  GLY  30           HA3      GLY  30  10.284  -6.445  -1.761
  239    H    LYS  31           H        LYS  31   7.174  -6.046  -1.118
  240    HA   LYS  31           HA       LYS  31   7.122  -3.468  -2.558
  241    HB2  LYS  31           HB2      LYS  31   5.333  -5.851  -3.066
  242    HB3  LYS  31           HB3      LYS  31   5.247  -4.304  -3.893
  243    HG2  LYS  31           HG2      LYS  31   7.552  -4.709  -4.746
  244    HG3  LYS  31           HG3      LYS  31   7.467  -6.327  -4.044
  245    HD2  LYS  31           HD2      LYS  31   5.636  -5.190  -6.158
  246    HD3  LYS  31           HD3      LYS  31   6.896  -6.400  -6.405
  247    HE2  LYS  31           HE2      LYS  31   5.705  -7.945  -4.934
  248    HE3  LYS  31           HE3      LYS  31   4.455  -6.734  -4.664
  249    HZ1  LYS  31           HZ1      LYS  31   3.749  -8.323  -6.310
  250    HZ2  LYS  31           HZ2      LYS  31   5.108  -8.012  -7.261
  251    HZ3  LYS  31           HZ3      LYS  31   3.943  -6.810  -7.034
  252    H    CYS  32           H        CYS  32   4.552  -2.945  -2.737
  253    HA   CYS  32           HA       CYS  32   3.583  -2.941   0.039
  254    HB2  CYS  32           HB2      CYS  32   4.289  -0.720  -0.926
  255    HB3  CYS  32           HB3      CYS  32   2.998  -0.892  -2.114
  256    H    ASP  33           H        ASP  33   1.821  -4.115   0.341
  257    HA   ASP  33           HA       ASP  33  -0.040  -4.442  -1.918
  258    HB2  ASP  33           HB2      ASP  33   0.818  -6.581  -1.242
  259    HB3  ASP  33           HB3      ASP  33   0.429  -6.267   0.445
  260    H    CYS  34           H        CYS  34  -1.760  -3.287  -1.773
  261    HA   CYS  34           HA       CYS  34  -2.521  -1.998   0.680
  262    HB2  CYS  34           HB2      CYS  34  -3.959  -1.987  -1.968
  263    HB3  CYS  34           HB3      CYS  34  -4.157  -0.836  -0.654
  264    H    THR  35           H        THR  35  -4.369  -2.332   1.877
  265    HA   THR  35           HA       THR  35  -5.580  -4.941   1.624
  266    HB   THR  35           HB       THR  35  -6.324  -2.730   3.533
  267    HG1  THR  35           HG1      THR  35  -4.085  -4.378   3.415
  268   HG21  THR  35          HG21      THR  35  -7.902  -4.574   3.472
  269   HG22  THR  35          HG22      THR  35  -6.991  -4.614   4.981
  270   HG23  THR  35          HG23      THR  35  -6.589  -5.733   3.680
  271    HA   PRO  36           HA       PRO  36  -8.794  -3.112  -0.854
  272    HB2  PRO  36           HB2      PRO  36 -10.030  -5.462  -1.486
  273    HB3  PRO  36           HB3      PRO  36  -8.605  -4.844  -2.311
  274    HG2  PRO  36           HG2      PRO  36  -8.868  -7.087  -0.452
  275    HG3  PRO  36           HG3      PRO  36  -7.578  -6.729  -1.607
  276    HD2  PRO  36           HD2      PRO  36  -7.583  -6.320   1.211
  277    HD3  PRO  36           HD3      PRO  36  -6.300  -5.918   0.058
  278    H    LYS  37           H        LYS  37 -10.661  -2.274  -0.281
  279    HA   LYS  37           HA       LYS  37 -11.853  -2.986   2.216
  280    HB2  LYS  37           HB2      LYS  37 -13.513  -1.173   1.577
  281    HB3  LYS  37           HB3      LYS  37 -11.836  -0.675   1.731
  282    HG2  LYS  37           HG2      LYS  37 -11.586  -0.726  -0.692
  283    HG3  LYS  37           HG3      LYS  37 -13.260  -1.257  -0.857
  284    HD2  LYS  37           HD2      LYS  37 -14.012   0.824   0.199
  285    HD3  LYS  37           HD3      LYS  37 -12.335   1.354   0.335
  286    HE2  LYS  37           HE2      LYS  37 -12.105   1.331  -2.079
  287    HE3  LYS  37           HE3      LYS  37 -13.748   0.715  -2.249
  288    HZ1  LYS  37           HZ1      LYS  37 -13.001   3.347  -1.099
  289    HZ2  LYS  37           HZ2      LYS  37 -14.575   2.756  -1.264
  290    HZ3  LYS  37           HZ3      LYS  37 -13.651   3.090  -2.638
  Start of MODEL   17
    1    H1   VAL   1           H1       VAL   1  -5.989  -7.646  -5.589
    2    H2   VAL   1           H2       VAL   1  -4.594  -8.197  -4.810
    3    H3   VAL   1           H3       VAL   1  -4.516  -7.686  -6.416
    4    HA   VAL   1           HA       VAL   1  -5.001  -5.450  -5.808
    5    HB   VAL   1           HB       VAL   1  -5.111  -4.789  -3.433
    6   HG11  VAL   1          HG11      VAL   1  -7.415  -5.423  -3.083
    7   HG12  VAL   1          HG12      VAL   1  -7.252  -6.765  -4.212
    8   HG13  VAL   1          HG13      VAL   1  -7.150  -5.105  -4.794
    9   HG21  VAL   1          HG21      VAL   1  -3.973  -6.779  -2.544
   10   HG22  VAL   1          HG22      VAL   1  -5.409  -7.739  -2.899
   11   HG23  VAL   1          HG23      VAL   1  -5.489  -6.434  -1.713
   12    H    GLY   2           H        GLY   2  -3.362  -3.958  -5.033
   13    HA2  GLY   2           HA2      GLY   2  -1.101  -4.122  -3.737
   14    HA3  GLY   2           HA3      GLY   2  -0.739  -5.274  -5.016
   15    H    ILE   3           H        ILE   3   0.716  -2.864  -4.562
   16    HA   ILE   3           HA       ILE   3   0.037  -1.407  -7.029
   17    HB   ILE   3           HB       ILE   3   0.858   0.677  -5.893
   18   HG12  ILE   3          HG12      ILE   3   0.518  -1.034  -3.418
   19   HG13  ILE   3          HG13      ILE   3   2.041  -0.405  -4.037
   20   HG21  ILE   3          HG21      ILE   3  -1.270   1.073  -4.698
   21   HG22  ILE   3          HG22      ILE   3  -1.630  -0.647  -4.825
   22   HG23  ILE   3          HG23      ILE   3  -1.494   0.335  -6.284
   23   HD11  ILE   3          HD11      ILE   3   1.283   1.861  -3.614
   24   HD12  ILE   3          HD12      ILE   3   1.230   0.887  -2.146
   25   HD13  ILE   3          HD13      ILE   3  -0.258   1.245  -3.022
   26    H    ASN   4           H        ASN   4   1.872   0.085  -7.634
   27    HA   ASN   4           HA       ASN   4   4.238  -1.552  -7.967
   28    HB2  ASN   4           HB2      ASN   4   4.889   0.314  -9.549
   29    HB3  ASN   4           HB3      ASN   4   3.392  -0.521  -9.951
   30   HD21  ASN   4          HD21      ASN   4   4.757   2.416  -8.609
   31   HD22  ASN   4          HD22      ASN   4   3.349   3.395  -8.841
   32    H    VAL   5           H        VAL   5   3.924  -0.559  -5.327
   33    HA   VAL   5           HA       VAL   5   6.059   1.467  -5.191
   34    HB   VAL   5           HB       VAL   5   3.853   0.993  -3.178
   35   HG11  VAL   5          HG11      VAL   5   4.679   3.175  -2.253
   36   HG12  VAL   5          HG12      VAL   5   6.093   3.001  -3.290
   37   HG13  VAL   5          HG13      VAL   5   5.768   1.808  -2.031
   38   HG21  VAL   5          HG21      VAL   5   2.955   3.125  -3.918
   39   HG22  VAL   5          HG22      VAL   5   3.027   1.983  -5.260
   40   HG23  VAL   5          HG23      VAL   5   4.233   3.264  -5.125
   41    H    LYS   6           H        LYS   6   7.690   1.191  -3.666
   42    HA   LYS   6           HA       LYS   6   8.149  -1.599  -2.984
   43    HB2  LYS   6           HB2      LYS   6   9.997   0.791  -2.891
   44    HB3  LYS   6           HB3      LYS   6  10.472  -0.869  -2.559
   45    HG2  LYS   6           HG2      LYS   6   9.802  -1.473  -4.865
   46    HG3  LYS   6           HG3      LYS   6   9.472   0.231  -5.176
   47    HD2  LYS   6           HD2      LYS   6  11.790   0.789  -4.751
   48    HD3  LYS   6           HD3      LYS   6  12.139  -0.884  -4.318
   49    HE2  LYS   6           HE2      LYS   6  11.267   0.125  -7.022
   50    HE3  LYS   6           HE3      LYS   6  12.881  -0.428  -6.582
   51    HZ1  LYS   6           HZ1      LYS   6  11.862  -2.624  -6.078
   52    HZ2  LYS   6           HZ2      LYS   6  11.785  -2.188  -7.706
   53    HZ3  LYS   6           HZ3      LYS   6  10.409  -2.061  -6.736
   54    H    CYS   7           H        CYS   7   8.520  -2.357  -0.970
   55    HA   CYS   7           HA       CYS   7   7.218  -1.003   1.169
   56    HB2  CYS   7           HB2      CYS   7   7.037  -3.388   1.037
   57    HB3  CYS   7           HB3      CYS   7   8.784  -3.579   1.020
   58    H    LYS   8           H        LYS   8   8.381   0.898   1.599
   59    HA   LYS   8           HA       LYS   8  11.071   0.594   2.674
   60    HB2  LYS   8           HB2      LYS   8   9.275   3.008   2.370
   61    HB3  LYS   8           HB3      LYS   8  10.885   3.071   3.073
   62    HG2  LYS   8           HG2      LYS   8  10.236   2.214   0.256
   63    HG3  LYS   8           HG3      LYS   8  10.867   3.790   0.736
   64    HD2  LYS   8           HD2      LYS   8  12.877   2.685   1.634
   65    HD3  LYS   8           HD3      LYS   8  12.246   1.129   1.092
   66    HE2  LYS   8           HE2      LYS   8  12.262   1.939  -1.221
   67    HE3  LYS   8           HE3      LYS   8  12.911   3.484  -0.673
   68    HZ1  LYS   8           HZ1      LYS   8  14.875   2.338   0.129
   69    HZ2  LYS   8           HZ2      LYS   8  14.648   2.034  -1.518
   70    HZ3  LYS   8           HZ3      LYS   8  14.251   0.849  -0.380
   71    H    HIS   9           H        HIS   9   7.839   1.531   3.729
   72    HA   HIS   9           HA       HIS   9   8.111   0.303   6.265
   73    HB2  HIS   9           HB2      HIS   9   7.688   2.538   7.533
   74    HB3  HIS   9           HB3      HIS   9   9.335   2.112   7.089
   75    HD1  HIS   9           HD1      HIS   9  10.519   3.578   5.352
   76    HD2  HIS   9           HD2      HIS   9   6.614   4.758   6.166
   77    HE1  HIS   9           HE1      HIS   9  10.246   5.812   4.242
   78    HE2  HIS   9           HE2      HIS   9   7.914   6.571   4.853
   79    H    SER  10           H        SER  10   6.103   0.261   7.410
   80    HA   SER  10           HA       SER  10   3.989  -0.221   5.720
   81    HB2  SER  10           HB2      SER  10   2.598  -0.269   7.815
   82    HB3  SER  10           HB3      SER  10   4.076  -1.227   7.890
   83    HG   SER  10           HG       SER  10   3.694   0.099   9.764
   84    H    GLY  11           H        GLY  11   4.499   2.669   7.714
   85    HA2  GLY  11           HA2      GLY  11   2.070   3.946   7.154
   86    HA3  GLY  11           HA3      GLY  11   3.544   4.750   7.663
   87    H    GLN  12           H        GLN  12   4.822   3.534   5.127
   88    HA   GLN  12           HA       GLN  12   4.372   5.850   3.496
   89    HB2  GLN  12           HB2      GLN  12   6.586   4.623   3.669
   90    HB3  GLN  12           HB3      GLN  12   5.857   3.339   2.720
   91    HG2  GLN  12           HG2      GLN  12   5.470   4.882   0.891
   92    HG3  GLN  12           HG3      GLN  12   6.200   6.186   1.827
   93   HE21  GLN  12          HE21      GLN  12   6.761   3.308  -0.007
   94   HE22  GLN  12          HE22      GLN  12   8.477   3.475  -0.127
   95    H    CYS  13           H        CYS  13   3.526   2.434   3.357
   96    HA   CYS  13           HA       CYS  13   2.589   2.494   0.680
   97    HB2  CYS  13           HB2      CYS  13   2.023   0.497   2.878
   98    HB3  CYS  13           HB3      CYS  13   1.723   0.245   1.165
   99    H    LEU  14           H        LEU  14   1.222   3.532   3.605
  100    HA   LEU  14           HA       LEU  14  -1.508   3.029   3.166
  101    HB2  LEU  14           HB2      LEU  14   0.098   4.546   4.999
  102    HB3  LEU  14           HB3      LEU  14  -1.278   5.502   4.503
  103    HG   LEU  14           HG       LEU  14  -1.738   4.289   6.567
  104   HD11  LEU  14          HD11      LEU  14  -3.239   3.403   4.131
  105   HD12  LEU  14          HD12      LEU  14  -3.629   4.737   5.214
  106   HD13  LEU  14          HD13      LEU  14  -3.787   3.072   5.772
  107   HD21  LEU  14          HD21      LEU  14  -1.334   1.790   4.928
  108   HD22  LEU  14          HD22      LEU  14  -1.867   1.867   6.607
  109   HD23  LEU  14          HD23      LEU  14  -0.237   2.383   6.176
  110    H    LYS  15           H        LYS  15   0.602   5.651   2.123
  111    HA   LYS  15           HA       LYS  15  -1.482   7.378   1.280
  112    HB2  LYS  15           HB2      LYS  15   1.447   7.372   0.559
  113    HB3  LYS  15           HB3      LYS  15   0.325   8.671   0.185
  114    HG2  LYS  15           HG2      LYS  15  -0.046   9.063   2.550
  115    HG3  LYS  15           HG3      LYS  15   1.017   7.715   2.955
  116    HD2  LYS  15           HD2      LYS  15   2.891   8.875   1.891
  117    HD3  LYS  15           HD3      LYS  15   1.828  10.221   1.482
  118    HE2  LYS  15           HE2      LYS  15   2.451   9.274   4.279
  119    HE3  LYS  15           HE3      LYS  15   3.184  10.669   3.488
  120    HZ1  LYS  15           HZ1      LYS  15   0.995  11.683   3.332
  121    HZ2  LYS  15           HZ2      LYS  15   1.378  11.331   4.942
  122    HZ3  LYS  15           HZ3      LYS  15   0.296  10.347   4.096
  123    HA   PRO  16           HA       PRO  16  -0.548   6.033  -3.210
  124    HB2  PRO  16           HB2      PRO  16   0.848   3.764  -3.680
  125    HB3  PRO  16           HB3      PRO  16   1.614   5.347  -3.523
  126    HG2  PRO  16           HG2      PRO  16   1.360   3.157  -1.503
  127    HG3  PRO  16           HG3      PRO  16   2.757   4.187  -1.868
  128    HD2  PRO  16           HD2      PRO  16   1.117   4.623   0.246
  129    HD3  PRO  16           HD3      PRO  16   1.959   5.929  -0.606
  130    H    CYS  17           H        CYS  17  -1.252   3.682  -0.728
  131    HA   CYS  17           HA       CYS  17  -2.793   1.989  -2.450
  132    HB2  CYS  17           HB2      CYS  17  -2.349   2.145   0.509
  133    HB3  CYS  17           HB3      CYS  17  -3.574   1.096  -0.168
  134    H    LYS  18           H        LYS  18  -3.495   4.580  -0.113
  135    HA   LYS  18           HA       LYS  18  -6.323   4.338  -0.389
  136    HB2  LYS  18           HB2      LYS  18  -6.424   6.478   0.779
  137    HB3  LYS  18           HB3      LYS  18  -5.311   5.387   1.584
  138    HG2  LYS  18           HG2      LYS  18  -3.426   6.537   0.653
  139    HG3  LYS  18           HG3      LYS  18  -4.482   7.550  -0.331
  140    HD2  LYS  18           HD2      LYS  18  -4.462   7.503   2.688
  141    HD3  LYS  18           HD3      LYS  18  -3.608   8.688   1.699
  142    HE2  LYS  18           HE2      LYS  18  -5.738   9.394   0.720
  143    HE3  LYS  18           HE3      LYS  18  -6.586   8.218   1.720
  144    HZ1  LYS  18           HZ1      LYS  18  -6.697  10.404   2.697
  145    HZ2  LYS  18           HZ2      LYS  18  -5.011  10.530   2.706
  146    HZ3  LYS  18           HZ3      LYS  18  -5.778   9.384   3.685
  147    H    LYS  19           H        LYS  19  -3.812   5.850  -2.195
  148    HA   LYS  19           HA       LYS  19  -5.658   7.457  -3.774
  149    HB2  LYS  19           HB2      LYS  19  -2.676   7.012  -3.990
  150    HB3  LYS  19           HB3      LYS  19  -3.598   8.047  -5.070
  151    HG2  LYS  19           HG2      LYS  19  -4.199   9.488  -3.213
  152    HG3  LYS  19           HG3      LYS  19  -3.344   8.426  -2.093
  153    HD2  LYS  19           HD2      LYS  19  -1.996  10.386  -2.666
  154    HD3  LYS  19           HD3      LYS  19  -1.240   8.900  -3.238
  155    HE2  LYS  19           HE2      LYS  19  -2.081   9.320  -5.482
  156    HE3  LYS  19           HE3      LYS  19  -2.895  10.777  -4.920
  157    HZ1  LYS  19           HZ1      LYS  19   0.039  10.343  -4.840
  158    HZ2  LYS  19           HZ2      LYS  19  -0.775  11.765  -4.428
  159    HZ3  LYS  19           HZ3      LYS  19  -0.770  11.227  -6.031
  160    H    ALA  20           H        ALA  20  -4.686   4.332  -3.589
  161    HA   ALA  20           HA       ALA  20  -4.819   3.745  -6.442
  162    HB1  ALA  20           HB1      ALA  20  -4.392   1.969  -4.043
  163    HB2  ALA  20           HB2      ALA  20  -3.157   2.544  -5.168
  164    HB3  ALA  20           HB3      ALA  20  -4.393   1.412  -5.718
  165    H    GLY  21           H        GLY  21  -6.944   4.273  -3.980
  166    HA2  GLY  21           HA2      GLY  21  -9.267   4.035  -4.039
  167    HA3  GLY  21           HA3      GLY  21  -9.094   2.893  -5.363
  168    H    MET  22           H        MET  22  -7.020   2.305  -2.738
  169    HA   MET  22           HA       MET  22  -8.749   0.091  -1.894
  170    HB2  MET  22           HB2      MET  22  -5.757   0.417  -1.587
  171    HB3  MET  22           HB3      MET  22  -6.692  -0.949  -1.003
  172    HG2  MET  22           HG2      MET  22  -6.372  -0.122  -3.874
  173    HG3  MET  22           HG3      MET  22  -5.599  -1.493  -3.079
  174    HE1  MET  22           HE1      MET  22  -7.404  -1.497  -5.801
  175    HE2  MET  22           HE2      MET  22  -8.279  -3.012  -5.586
  176    HE3  MET  22           HE3      MET  22  -6.563  -2.924  -5.197
  177    H    ARG  23           H        ARG  23  -7.959  -0.568   0.519
  178    HA   ARG  23           HA       ARG  23  -9.029   1.659   2.025
  179    HB2  ARG  23           HB2      ARG  23  -9.733  -0.786   2.241
  180    HB3  ARG  23           HB3      ARG  23  -8.239  -1.027   3.130
  181    HG2  ARG  23           HG2      ARG  23  -8.998   0.035   4.963
  182    HG3  ARG  23           HG3      ARG  23  -9.947   1.194   4.032
  183    HD2  ARG  23           HD2      ARG  23 -11.271  -0.448   5.413
  184    HD3  ARG  23           HD3      ARG  23 -11.703  -0.354   3.709
  185    HE   ARG  23           HE       ARG  23 -10.270  -2.412   3.458
  186   HH11  ARG  23          HH11      ARG  23 -11.893  -1.637   6.466
  187   HH12  ARG  23          HH12      ARG  23 -12.016  -3.290   6.966
  188   HH21  ARG  23          HH21      ARG  23 -10.442  -4.577   4.111
  189   HH22  ARG  23          HH22      ARG  23 -11.189  -4.969   5.628
  190    H    PHE  24           H        PHE  24  -6.394  -0.559   3.005
  191    HA   PHE  24           HA       PHE  24  -4.800   1.825   3.666
  192    HB2  PHE  24           HB2      PHE  24  -4.047  -0.552   5.183
  193    HB3  PHE  24           HB3      PHE  24  -4.348   1.084   5.750
  194    HD1  PHE  24           HD1      PHE  24  -5.827  -2.161   5.025
  195    HD2  PHE  24           HD2      PHE  24  -6.467   1.683   6.709
  196    HE1  PHE  24           HE1      PHE  24  -7.896  -2.969   6.033
  197    HE2  PHE  24           HE2      PHE  24  -8.549   0.882   7.754
  198    HZ   PHE  24           HZ       PHE  24  -9.270  -1.455   7.423
  199    H    GLY  25           H        GLY  25  -2.406   0.915   4.084
  200    HA2  GLY  25           HA2      GLY  25  -1.735  -0.852   1.833
  201    HA3  GLY  25           HA3      GLY  25  -0.906   0.682   2.048
  202    H    LYS  26           H        LYS  26  -0.822  -2.576   2.691
  203    HA   LYS  26           HA       LYS  26   0.733  -2.343   5.147
  204    HB2  LYS  26           HB2      LYS  26  -1.011  -4.164   4.718
  205    HB3  LYS  26           HB3      LYS  26   0.146  -4.848   3.588
  206    HG2  LYS  26           HG2      LYS  26   1.767  -5.121   5.381
  207    HG3  LYS  26           HG3      LYS  26   0.620  -4.423   6.525
  208    HD2  LYS  26           HD2      LYS  26   0.158  -6.935   4.919
  209    HD3  LYS  26           HD3      LYS  26   0.676  -6.894   6.604
  210    HE2  LYS  26           HE2      LYS  26  -1.915  -5.804   5.507
  211    HE3  LYS  26           HE3      LYS  26  -1.722  -7.290   6.432
  212    HZ1  LYS  26           HZ1      LYS  26  -1.246  -4.527   7.399
  213    HZ2  LYS  26           HZ2      LYS  26  -0.890  -5.919   8.288
  214    HZ3  LYS  26           HZ3      LYS  26  -2.491  -5.569   7.872
  215    H    CYS  27           H        CYS  27   2.860  -3.189   5.294
  216    HA   CYS  27           HA       CYS  27   4.395  -2.839   2.841
  217    HB2  CYS  27           HB2      CYS  27   4.871  -2.038   5.421
  218    HB3  CYS  27           HB3      CYS  27   5.845  -3.501   5.318
  219    H    ILE  28           H        ILE  28   4.738  -4.580   1.633
  220    HA   ILE  28           HA       ILE  28   4.780  -7.206   2.950
  221    HB   ILE  28           HB       ILE  28   2.850  -6.376   1.282
  222   HG12  ILE  28          HG12      ILE  28   2.330  -8.740   0.830
  223   HG13  ILE  28          HG13      ILE  28   3.934  -9.196   1.383
  224   HG21  ILE  28          HG21      ILE  28   4.858  -7.673  -0.542
  225   HG22  ILE  28          HG22      ILE  28   4.274  -6.011  -0.616
  226   HG23  ILE  28          HG23      ILE  28   3.172  -7.346  -0.944
  227   HD11  ILE  28          HD11      ILE  28   1.870  -7.811   3.074
  228   HD12  ILE  28          HD12      ILE  28   3.428  -8.437   3.609
  229   HD13  ILE  28          HD13      ILE  28   2.172  -9.547   3.067
  230    H    ASN  29           H        ASN  29   5.757  -8.854   1.181
  231    HA   ASN  29           HA       ASN  29   8.453  -8.690   1.195
  232    HB2  ASN  29           HB2      ASN  29   6.886  -9.933  -1.072
  233    HB3  ASN  29           HB3      ASN  29   8.506 -10.371  -0.548
  234   HD21  ASN  29          HD21      ASN  29   5.125 -10.638   0.061
  235   HD22  ASN  29          HD22      ASN  29   5.227 -11.847   1.295
  236    H    GLY  30           H        GLY  30   9.097  -6.536   0.719
  237    HA2  GLY  30           HA2      GLY  30  10.215  -5.054  -0.635
  238    HA3  GLY  30           HA3      GLY  30  10.036  -6.203  -1.949
  239    H    LYS  31           H        LYS  31   6.972  -5.773  -0.929
  240    HA   LYS  31           HA       LYS  31   6.530  -3.600  -2.882
  241    HB2  LYS  31           HB2      LYS  31   6.076  -5.908  -3.779
  242    HB3  LYS  31           HB3      LYS  31   4.837  -6.089  -2.550
  243    HG2  LYS  31           HG2      LYS  31   3.740  -4.038  -3.551
  244    HG3  LYS  31           HG3      LYS  31   4.868  -4.215  -4.895
  245    HD2  LYS  31           HD2      LYS  31   2.856  -6.263  -3.963
  246    HD3  LYS  31           HD3      LYS  31   2.738  -5.273  -5.416
  247    HE2  LYS  31           HE2      LYS  31   4.798  -6.339  -6.267
  248    HE3  LYS  31           HE3      LYS  31   4.833  -7.367  -4.837
  249    HZ1  LYS  31           HZ1      LYS  31   2.689  -7.309  -6.890
  250    HZ2  LYS  31           HZ2      LYS  31   2.672  -8.265  -5.497
  251    HZ3  LYS  31           HZ3      LYS  31   3.843  -8.527  -6.690
  252    H    CYS  32           H        CYS  32   4.350  -2.562  -2.615
  253    HA   CYS  32           HA       CYS  32   3.455  -2.659   0.171
  254    HB2  CYS  32           HB2      CYS  32   2.901  -0.677  -2.039
  255    HB3  CYS  32           HB3      CYS  32   2.096  -0.635  -0.478
  256    H    ASP  33           H        ASP  33   1.922  -4.062   0.590
  257    HA   ASP  33           HA       ASP  33   0.030  -4.833  -1.505
  258    HB2  ASP  33           HB2      ASP  33   1.119  -6.667  -0.395
  259    HB3  ASP  33           HB3      ASP  33   0.632  -6.074   1.186
  260    H    CYS  34           H        CYS  34  -1.680  -3.665  -1.613
  261    HA   CYS  34           HA       CYS  34  -2.632  -2.105   0.615
  262    HB2  CYS  34           HB2      CYS  34  -3.911  -2.435  -2.096
  263    HB3  CYS  34           HB3      CYS  34  -4.184  -1.136  -0.944
  264    H    THR  35           H        THR  35  -4.539  -2.373   1.735
  265    HA   THR  35           HA       THR  35  -5.766  -5.007   1.558
  266    HB   THR  35           HB       THR  35  -6.453  -2.718   3.403
  267    HG1  THR  35           HG1      THR  35  -4.391  -4.603   3.461
  268   HG21  THR  35          HG21      THR  35  -8.188  -4.421   3.246
  269   HG22  THR  35          HG22      THR  35  -7.397  -4.488   4.825
  270   HG23  THR  35          HG23      THR  35  -6.999  -5.681   3.588
  271    HA   PRO  36           HA       PRO  36  -9.046  -3.292  -0.946
  272    HB2  PRO  36           HB2      PRO  36 -10.636  -5.636  -0.350
  273    HB3  PRO  36           HB3      PRO  36  -9.897  -5.155  -1.872
  274    HG2  PRO  36           HG2      PRO  36  -9.085  -7.301  -0.355
  275    HG3  PRO  36           HG3      PRO  36  -8.064  -6.457  -1.527
  276    HD2  PRO  36           HD2      PRO  36  -8.087  -6.283   1.439
  277    HD3  PRO  36           HD3      PRO  36  -6.736  -6.104   0.301
  278    H    LYS  37           H        LYS  37 -11.390  -2.834  -0.641
  279    HA   LYS  37           HA       LYS  37 -11.785  -2.000   2.118
  280    HB2  LYS  37           HB2      LYS  37 -13.332  -1.282  -0.378
  281    HB3  LYS  37           HB3      LYS  37 -13.565  -0.571   1.213
  282    HG2  LYS  37           HG2      LYS  37 -11.273   0.302   1.148
  283    HG3  LYS  37           HG3      LYS  37 -11.070  -0.384  -0.464
  284    HD2  LYS  37           HD2      LYS  37 -11.588   1.978  -0.624
  285    HD3  LYS  37           HD3      LYS  37 -12.922   1.023  -1.271
  286    HE2  LYS  37           HE2      LYS  37 -14.175   1.321   0.774
  287    HE3  LYS  37           HE3      LYS  37 -12.820   2.164   1.518
  288    HZ1  LYS  37           HZ1      LYS  37 -14.447   3.735   0.759
  289    HZ2  LYS  37           HZ2      LYS  37 -14.414   3.098  -0.805
  290    HZ3  LYS  37           HZ3      LYS  37 -13.057   3.891  -0.189
  Start of MODEL   18
    1    H1   VAL   1           H1       VAL   1  -3.095  -3.569  -3.011
    2    H2   VAL   1           H2       VAL   1  -4.678  -4.137  -2.843
    3    H3   VAL   1           H3       VAL   1  -3.934  -4.140  -4.361
    4    HA   VAL   1           HA       VAL   1  -3.085  -5.742  -2.031
    5    HB   VAL   1           HB       VAL   1  -3.806  -7.679  -3.489
    6   HG11  VAL   1          HG11      VAL   1  -6.015  -5.803  -2.619
    7   HG12  VAL   1          HG12      VAL   1  -5.115  -6.876  -1.546
    8   HG13  VAL   1          HG13      VAL   1  -6.128  -7.553  -2.819
    9   HG21  VAL   1          HG21      VAL   1  -5.058  -5.413  -5.007
   10   HG22  VAL   1          HG22      VAL   1  -5.592  -7.087  -5.157
   11   HG23  VAL   1          HG23      VAL   1  -3.949  -6.641  -5.620
   12    H    GLY   2           H        GLY   2  -1.703  -3.916  -4.150
   13    HA2  GLY   2           HA2      GLY   2   0.757  -4.943  -4.232
   14    HA3  GLY   2           HA3      GLY   2  -0.029  -5.848  -5.519
   15    H    ILE   3           H        ILE   3   1.043  -2.696  -4.462
   16    HA   ILE   3           HA       ILE   3   0.440  -1.601  -7.117
   17    HB   ILE   3           HB       ILE   3   0.873   0.622  -6.063
   18   HG12  ILE   3          HG12      ILE   3   0.891  -0.984  -3.497
   19   HG13  ILE   3          HG13      ILE   3   2.297  -0.206  -4.217
   20   HG21  ILE   3          HG21      ILE   3  -1.252   0.664  -4.766
   21   HG22  ILE   3          HG22      ILE   3  -1.293  -1.098  -4.862
   22   HG23  ILE   3          HG23      ILE   3  -1.392  -0.133  -6.335
   23   HD11  ILE   3          HD11      ILE   3   1.331   1.960  -3.863
   24   HD12  ILE   3          HD12      ILE   3   1.329   1.060  -2.348
   25   HD13  ILE   3          HD13      ILE   3  -0.163   1.238  -3.272
   26    H    ASN   4           H        ASN   4   2.119   0.220  -7.642
   27    HA   ASN   4           HA       ASN   4   4.486  -1.255  -8.289
   28    HB2  ASN   4           HB2      ASN   4   5.032   0.611  -9.711
   29    HB3  ASN   4           HB3      ASN   4   3.305   0.296  -9.857
   30   HD21  ASN   4          HD21      ASN   4   5.732   2.512  -8.824
   31   HD22  ASN   4          HD22      ASN   4   4.676   3.828  -8.443
   32    H    VAL   5           H        VAL   5   3.879   0.015  -5.463
   33    HA   VAL   5           HA       VAL   5   6.252   1.714  -5.206
   34    HB   VAL   5           HB       VAL   5   4.027   1.253  -3.212
   35   HG11  VAL   5          HG11      VAL   5   4.880   3.269  -2.121
   36   HG12  VAL   5          HG12      VAL   5   6.190   3.354  -3.301
   37   HG13  VAL   5          HG13      VAL   5   6.105   1.999  -2.174
   38   HG21  VAL   5          HG21      VAL   5   3.157   3.412  -3.911
   39   HG22  VAL   5          HG22      VAL   5   3.211   2.295  -5.275
   40   HG23  VAL   5          HG23      VAL   5   4.437   3.554  -5.117
   41    H    LYS   6           H        LYS   6   7.936   1.225  -3.888
   42    HA   LYS   6           HA       LYS   6   8.233  -1.543  -3.115
   43    HB2  LYS   6           HB2      LYS   6  10.037  -0.162  -4.215
   44    HB3  LYS   6           HB3      LYS   6  10.168   0.734  -2.712
   45    HG2  LYS   6           HG2      LYS   6  10.773  -1.332  -1.540
   46    HG3  LYS   6           HG3      LYS   6  10.684  -2.206  -3.070
   47    HD2  LYS   6           HD2      LYS   6  12.432  -0.718  -3.980
   48    HD3  LYS   6           HD3      LYS   6  12.556   0.062  -2.403
   49    HE2  LYS   6           HE2      LYS   6  14.314  -1.569  -2.629
   50    HE3  LYS   6           HE3      LYS   6  13.163  -2.113  -1.413
   51    HZ1  LYS   6           HZ1      LYS   6  13.816  -3.912  -2.872
   52    HZ2  LYS   6           HZ2      LYS   6  13.279  -3.052  -4.224
   53    HZ3  LYS   6           HZ3      LYS   6  12.169  -3.576  -3.063
   54    H    CYS   7           H        CYS   7   8.531  -2.308  -1.051
   55    HA   CYS   7           HA       CYS   7   7.132  -0.842   0.992
   56    HB2  CYS   7           HB2      CYS   7   6.626  -3.139   0.916
   57    HB3  CYS   7           HB3      CYS   7   8.321  -3.597   0.817
   58    H    LYS   8           H        LYS   8   8.362   0.867   1.736
   59    HA   LYS   8           HA       LYS   8  10.908   0.254   2.998
   60    HB2  LYS   8           HB2      LYS   8   9.294   2.813   2.896
   61    HB3  LYS   8           HB3      LYS   8  10.892   2.653   3.609
   62    HG2  LYS   8           HG2      LYS   8  10.291   2.123   0.709
   63    HG3  LYS   8           HG3      LYS   8  10.853   3.672   1.336
   64    HD2  LYS   8           HD2      LYS   8  12.865   2.535   2.219
   65    HD3  LYS   8           HD3      LYS   8  12.311   1.036   1.476
   66    HE2  LYS   8           HE2      LYS   8  12.456   2.012  -0.720
   67    HE3  LYS   8           HE3      LYS   8  12.845   3.590  -0.034
   68    HZ1  LYS   8           HZ1      LYS   8  14.814   2.460  -0.853
   69    HZ2  LYS   8           HZ2      LYS   8  14.530   1.156   0.186
   70    HZ3  LYS   8           HZ3      LYS   8  14.903   2.678   0.822
   71    H    HIS   9           H        HIS   9   7.750   1.605   3.915
   72    HA   HIS   9           HA       HIS   9   7.744   0.062   6.388
   73    HB2  HIS   9           HB2      HIS   9   7.094   3.001   6.563
   74    HB3  HIS   9           HB3      HIS   9   7.474   1.880   7.864
   75    HD1  HIS   9           HD1      HIS   9   9.027   4.110   5.335
   76    HD2  HIS   9           HD2      HIS   9  10.238   1.505   8.336
   77    HE1  HIS   9           HE1      HIS   9  11.498   4.394   5.501
   78    HE2  HIS   9           HE2      HIS   9  12.242   2.720   7.231
   79    H    SER  10           H        SER  10   5.543  -0.006   7.323
   80    HA   SER  10           HA       SER  10   3.577  -0.258   5.328
   81    HB2  SER  10           HB2      SER  10   2.005  -0.526   7.289
   82    HB3  SER  10           HB3      SER  10   3.403  -1.600   7.298
   83    HG   SER  10           HG       SER  10   2.862  -0.453   9.325
   84    H    GLY  11           H        GLY  11   4.270   2.299   7.652
   85    HA2  GLY  11           HA2      GLY  11   2.037   3.928   7.223
   86    HA3  GLY  11           HA3      GLY  11   3.617   4.494   7.743
   87    H    GLN  12           H        GLN  12   4.882   3.450   5.261
   88    HA   GLN  12           HA       GLN  12   4.505   5.766   3.632
   89    HB2  GLN  12           HB2      GLN  12   6.705   4.652   3.768
   90    HB3  GLN  12           HB3      GLN  12   6.020   3.219   3.021
   91    HG2  GLN  12           HG2      GLN  12   5.469   4.571   1.037
   92    HG3  GLN  12           HG3      GLN  12   6.320   5.928   1.768
   93   HE21  GLN  12          HE21      GLN  12   6.611   2.833   0.255
   94   HE22  GLN  12          HE22      GLN  12   8.318   2.893  -0.008
   95    H    CYS  13           H        CYS  13   3.606   2.363   3.412
   96    HA   CYS  13           HA       CYS  13   2.740   2.499   0.709
   97    HB2  CYS  13           HB2      CYS  13   2.166   0.431   2.837
   98    HB3  CYS  13           HB3      CYS  13   1.880   0.227   1.113
   99    H    LEU  14           H        LEU  14   1.297   3.381   3.657
  100    HA   LEU  14           HA       LEU  14  -1.421   2.992   3.206
  101    HB2  LEU  14           HB2      LEU  14  -0.011   5.293   4.554
  102    HB3  LEU  14           HB3      LEU  14  -1.727   4.980   4.668
  103    HG   LEU  14           HG       LEU  14   0.490   3.221   5.715
  104   HD11  LEU  14          HD11      LEU  14  -1.608   4.837   7.151
  105   HD12  LEU  14          HD12      LEU  14   0.104   5.241   7.033
  106   HD13  LEU  14          HD13      LEU  14  -0.404   3.794   7.905
  107   HD21  LEU  14          HD21      LEU  14  -1.302   1.821   4.948
  108   HD22  LEU  14          HD22      LEU  14  -2.497   2.837   5.756
  109   HD23  LEU  14          HD23      LEU  14  -1.350   1.897   6.710
  110    H    LYS  15           H        LYS  15   0.646   5.689   2.289
  111    HA   LYS  15           HA       LYS  15  -1.323   7.418   1.396
  112    HB2  LYS  15           HB2      LYS  15   0.800   8.255   2.005
  113    HB3  LYS  15           HB3      LYS  15   1.623   7.209   0.862
  114    HG2  LYS  15           HG2      LYS  15   0.634   8.430  -0.970
  115    HG3  LYS  15           HG3      LYS  15  -0.180   9.505   0.161
  116    HD2  LYS  15           HD2      LYS  15   2.805   9.171  -0.157
  117    HD3  LYS  15           HD3      LYS  15   1.849  10.546  -0.709
  118    HE2  LYS  15           HE2      LYS  15   2.215   9.675   2.156
  119    HE3  LYS  15           HE3      LYS  15   3.000  11.049   1.384
  120    HZ1  LYS  15           HZ1      LYS  15   1.129  11.792   2.667
  121    HZ2  LYS  15           HZ2      LYS  15   0.086  10.731   1.864
  122    HZ3  LYS  15           HZ3      LYS  15   0.790  12.018   1.027
  123    HA   PRO  16           HA       PRO  16  -0.534   6.136  -3.113
  124    HB2  PRO  16           HB2      PRO  16   0.869   3.892  -3.696
  125    HB3  PRO  16           HB3      PRO  16   1.614   5.483  -3.524
  126    HG2  PRO  16           HG2      PRO  16   1.536   3.207  -1.603
  127    HG3  PRO  16           HG3      PRO  16   2.839   4.361  -1.928
  128    HD2  PRO  16           HD2      PRO  16   1.145   4.508   0.228
  129    HD3  PRO  16           HD3      PRO  16   2.008   5.893  -0.462
  130    H    CYS  17           H        CYS  17  -1.145   3.667  -0.718
  131    HA   CYS  17           HA       CYS  17  -2.615   1.959  -2.477
  132    HB2  CYS  17           HB2      CYS  17  -2.124   2.057   0.468
  133    HB3  CYS  17           HB3      CYS  17  -3.375   1.016  -0.178
  134    H    LYS  18           H        LYS  18  -3.450   4.543  -0.198
  135    HA   LYS  18           HA       LYS  18  -6.256   4.171  -0.402
  136    HB2  LYS  18           HB2      LYS  18  -6.453   6.377   0.569
  137    HB3  LYS  18           HB3      LYS  18  -5.161   5.514   1.388
  138    HG2  LYS  18           HG2      LYS  18  -3.500   6.722   0.164
  139    HG3  LYS  18           HG3      LYS  18  -4.734   7.487  -0.836
  140    HD2  LYS  18           HD2      LYS  18  -5.628   8.606   1.166
  141    HD3  LYS  18           HD3      LYS  18  -4.358   7.857   2.137
  142    HE2  LYS  18           HE2      LYS  18  -2.658   8.999   0.821
  143    HE3  LYS  18           HE3      LYS  18  -3.905   9.715  -0.195
  144    HZ1  LYS  18           HZ1      LYS  18  -3.138  11.274   1.461
  145    HZ2  LYS  18           HZ2      LYS  18  -3.536  10.208   2.706
  146    HZ3  LYS  18           HZ3      LYS  18  -4.755  10.880   1.749
  147    H    LYS  19           H        LYS  19  -3.851   5.583  -2.415
  148    HA   LYS  19           HA       LYS  19  -5.734   7.061  -4.060
  149    HB2  LYS  19           HB2      LYS  19  -2.761   6.581  -4.356
  150    HB3  LYS  19           HB3      LYS  19  -3.721   7.586  -5.431
  151    HG2  LYS  19           HG2      LYS  19  -4.250   9.079  -3.572
  152    HG3  LYS  19           HG3      LYS  19  -3.295   8.066  -2.489
  153    HD2  LYS  19           HD2      LYS  19  -2.010  10.006  -3.190
  154    HD3  LYS  19           HD3      LYS  19  -1.295   8.528  -3.835
  155    HE2  LYS  19           HE2      LYS  19  -1.314  10.281  -5.517
  156    HE3  LYS  19           HE3      LYS  19  -2.369   8.955  -5.994
  157    HZ1  LYS  19           HZ1      LYS  19  -4.265  10.258  -5.210
  158    HZ2  LYS  19           HZ2      LYS  19  -3.415  11.070  -6.421
  159    HZ3  LYS  19           HZ3      LYS  19  -3.234  11.535  -4.806
  160    H    ALA  20           H        ALA  20  -4.708   3.951  -3.708
  161    HA   ALA  20           HA       ALA  20  -5.084   3.176  -6.491
  162    HB1  ALA  20           HB1      ALA  20  -4.488   1.563  -4.003
  163    HB2  ALA  20           HB2      ALA  20  -3.354   2.008  -5.283
  164    HB3  ALA  20           HB3      ALA  20  -4.666   0.878  -5.622
  165    H    GLY  21           H        GLY  21  -7.036   4.175  -4.178
  166    HA2  GLY  21           HA2      GLY  21  -9.331   4.068  -3.978
  167    HA3  GLY  21           HA3      GLY  21  -9.346   2.848  -5.243
  168    H    MET  22           H        MET  22  -7.296   2.408  -2.483
  169    HA   MET  22           HA       MET  22  -9.136   0.305  -1.581
  170    HB2  MET  22           HB2      MET  22  -6.112   0.251  -1.570
  171    HB3  MET  22           HB3      MET  22  -7.154  -1.013  -0.934
  172    HG2  MET  22           HG2      MET  22  -8.170  -1.160  -3.239
  173    HG3  MET  22           HG3      MET  22  -6.851  -0.135  -3.785
  174    HE1  MET  22           HE1      MET  22  -6.355  -2.002  -5.586
  175    HE2  MET  22           HE2      MET  22  -7.606  -3.060  -4.934
  176    HE3  MET  22           HE3      MET  22  -5.976  -3.678  -5.194
  177    H    ARG  23           H        ARG  23  -8.272  -0.461   0.768
  178    HA   ARG  23           HA       ARG  23  -9.167   1.778   2.321
  179    HB2  ARG  23           HB2      ARG  23  -9.904  -0.624   2.600
  180    HB3  ARG  23           HB3      ARG  23  -8.345  -0.939   3.336
  181    HG2  ARG  23           HG2      ARG  23  -8.885   0.090   5.258
  182    HG3  ARG  23           HG3      ARG  23  -9.886   1.303   4.459
  183    HD2  ARG  23           HD2      ARG  23 -11.068  -0.407   5.932
  184    HD3  ARG  23           HD3      ARG  23 -11.726  -0.141   4.323
  185    HE   ARG  23           HE       ARG  23 -10.086  -2.237   3.936
  186   HH11  ARG  23          HH11      ARG  23 -12.546  -1.622   6.346
  187   HH12  ARG  23          HH12      ARG  23 -13.021  -3.287   6.466
  188   HH21  ARG  23          HH21      ARG  23 -10.740  -4.422   4.066
  189   HH22  ARG  23          HH22      ARG  23 -12.002  -4.869   5.170
  190    H    PHE  24           H        PHE  24  -6.439  -0.426   3.113
  191    HA   PHE  24           HA       PHE  24  -4.868   1.980   3.750
  192    HB2  PHE  24           HB2      PHE  24  -4.007  -0.367   5.243
  193    HB3  PHE  24           HB3      PHE  24  -4.332   1.260   5.814
  194    HD1  PHE  24           HD1      PHE  24  -5.765  -2.011   5.123
  195    HD2  PHE  24           HD2      PHE  24  -6.391   1.781   6.915
  196    HE1  PHE  24           HE1      PHE  24  -7.757  -2.883   6.222
  197    HE2  PHE  24           HE2      PHE  24  -8.392   0.913   8.060
  198    HZ   PHE  24           HZ       PHE  24  -9.077  -1.431   7.718
  199    H    GLY  25           H        GLY  25  -2.490   1.051   4.191
  200    HA2  GLY  25           HA2      GLY  25  -1.769  -0.570   1.845
  201    HA3  GLY  25           HA3      GLY  25  -0.863   0.860   2.317
  202    H    LYS  26           H        LYS  26  -0.951  -2.404   2.464
  203    HA   LYS  26           HA       LYS  26   0.396  -2.699   5.033
  204    HB2  LYS  26           HB2      LYS  26  -1.340  -4.332   4.107
  205    HB3  LYS  26           HB3      LYS  26  -0.116  -4.807   2.945
  206    HG2  LYS  26           HG2      LYS  26   1.366  -5.408   4.849
  207    HG3  LYS  26           HG3      LYS  26   0.006  -5.109   5.928
  208    HD2  LYS  26           HD2      LYS  26  -0.039  -7.084   3.650
  209    HD3  LYS  26           HD3      LYS  26   0.341  -7.509   5.315
  210    HE2  LYS  26           HE2      LYS  26  -1.930  -8.047   5.046
  211    HE3  LYS  26           HE3      LYS  26  -1.923  -6.522   5.923
  212    HZ1  LYS  26           HZ1      LYS  26  -2.192  -6.601   2.976
  213    HZ2  LYS  26           HZ2      LYS  26  -2.624  -5.361   4.049
  214    HZ3  LYS  26           HZ3      LYS  26  -3.534  -6.780   3.995
  215    H    CYS  27           H        CYS  27   2.524  -3.698   5.111
  216    HA   CYS  27           HA       CYS  27   4.102  -3.045   2.721
  217    HB2  CYS  27           HB2      CYS  27   4.512  -2.281   5.326
  218    HB3  CYS  27           HB3      CYS  27   5.580  -3.674   5.180
  219    H    ILE  28           H        ILE  28   4.456  -4.733   1.464
  220    HA   ILE  28           HA       ILE  28   4.544  -7.410   2.623
  221    HB   ILE  28           HB       ILE  28   3.409  -6.333   0.265
  222   HG12  ILE  28          HG12      ILE  28   2.441  -8.527   0.013
  223   HG13  ILE  28          HG13      ILE  28   3.678  -9.238   1.042
  224   HG21  ILE  28          HG21      ILE  28   5.647  -8.242  -0.337
  225   HG22  ILE  28          HG22      ILE  28   5.384  -6.627  -0.998
  226   HG23  ILE  28          HG23      ILE  28   4.295  -7.944  -1.431
  227   HD11  ILE  28          HD11      ILE  28   1.730  -7.166   1.993
  228   HD12  ILE  28          HD12      ILE  28   2.795  -8.177   2.968
  229   HD13  ILE  28          HD13      ILE  28   1.440  -8.899   2.102
  230    H    ASN  29           H        ASN  29   6.189  -8.918   1.517
  231    HA   ASN  29           HA       ASN  29   8.566  -8.408   2.647
  232    HB2  ASN  29           HB2      ASN  29   9.534 -10.214   1.431
  233    HB3  ASN  29           HB3      ASN  29   7.831 -10.583   1.665
  234   HD21  ASN  29          HD21      ASN  29   6.436 -10.529  -0.099
  235   HD22  ASN  29          HD22      ASN  29   7.020 -10.564  -1.726
  236    H    GLY  30           H        GLY  30   7.822  -7.415  -0.671
  237    HA2  GLY  30           HA2      GLY  30  10.166  -5.643  -0.451
  238    HA3  GLY  30           HA3      GLY  30   9.884  -6.551  -1.926
  239    H    LYS  31           H        LYS  31   6.860  -5.892  -1.029
  240    HA   LYS  31           HA       LYS  31   6.856  -3.433  -2.662
  241    HB2  LYS  31           HB2      LYS  31   5.193  -5.919  -3.054
  242    HB3  LYS  31           HB3      LYS  31   4.780  -4.372  -3.778
  243    HG2  LYS  31           HG2      LYS  31   6.849  -4.360  -5.024
  244    HG3  LYS  31           HG3      LYS  31   7.360  -5.855  -4.238
  245    HD2  LYS  31           HD2      LYS  31   5.506  -7.050  -5.242
  246    HD3  LYS  31           HD3      LYS  31   4.904  -5.559  -5.963
  247    HE2  LYS  31           HE2      LYS  31   7.583  -6.805  -6.556
  248    HE3  LYS  31           HE3      LYS  31   6.143  -6.989  -7.556
  249    HZ1  LYS  31           HZ1      LYS  31   7.504  -4.423  -6.941
  250    HZ2  LYS  31           HZ2      LYS  31   6.129  -4.599  -7.908
  251    HZ3  LYS  31           HZ3      LYS  31   7.600  -5.265  -8.403
  252    H    CYS  32           H        CYS  32   4.744  -2.275  -2.594
  253    HA   CYS  32           HA       CYS  32   3.600  -2.421   0.074
  254    HB2  CYS  32           HB2      CYS  32   3.228  -0.443  -2.177
  255    HB3  CYS  32           HB3      CYS  32   2.310  -0.384  -0.679
  256    H    ASP  33           H        ASP  33   2.098  -3.849   0.383
  257    HA   ASP  33           HA       ASP  33   0.151  -4.543  -1.651
  258    HB2  ASP  33           HB2      ASP  33   0.891  -6.366  -0.281
  259    HB3  ASP  33           HB3      ASP  33   0.636  -5.447   1.195
  260    H    CYS  34           H        CYS  34  -2.199  -4.283  -1.154
  261    HA   CYS  34           HA       CYS  34  -2.713  -2.050   0.670
  262    HB2  CYS  34           HB2      CYS  34  -4.021  -2.299  -2.034
  263    HB3  CYS  34           HB3      CYS  34  -4.092  -0.946  -0.919
  264    H    THR  35           H        THR  35  -4.608  -2.244   1.813
  265    HA   THR  35           HA       THR  35  -5.862  -4.856   1.649
  266    HB   THR  35           HB       THR  35  -6.388  -2.618   3.591
  267    HG1  THR  35           HG1      THR  35  -5.033  -4.125   4.957
  268   HG21  THR  35          HG21      THR  35  -8.171  -4.302   3.428
  269   HG22  THR  35          HG22      THR  35  -7.346  -4.366   4.993
  270   HG23  THR  35          HG23      THR  35  -6.984  -5.571   3.759
  271    HA   PRO  36           HA       PRO  36  -9.171  -2.895  -0.575
  272    HB2  PRO  36           HB2      PRO  36 -10.510  -5.099  -1.206
  273    HB3  PRO  36           HB3      PRO  36  -8.977  -4.723  -1.978
  274    HG2  PRO  36           HG2      PRO  36  -9.569  -6.647   0.233
  275    HG3  PRO  36           HG3      PRO  36  -8.485  -6.837  -1.159
  276    HD2  PRO  36           HD2      PRO  36  -7.664  -6.134   1.379
  277    HD3  PRO  36           HD3      PRO  36  -6.765  -5.772  -0.107
  278    H    LYS  37           H        LYS  37 -11.641  -3.186  -0.462
  279    HA   LYS  37           HA       LYS  37 -12.373  -2.988   2.345
  280    HB2  LYS  37           HB2      LYS  37 -13.793  -2.178  -0.193
  281    HB3  LYS  37           HB3      LYS  37 -14.569  -2.125   1.380
  282    HG2  LYS  37           HG2      LYS  37 -13.834   0.060   0.976
  283    HG3  LYS  37           HG3      LYS  37 -12.671  -0.614   2.115
  284    HD2  LYS  37           HD2      LYS  37 -11.451   0.600   0.458
  285    HD3  LYS  37           HD3      LYS  37 -11.182  -1.119   0.166
  286    HE2  LYS  37           HE2      LYS  37 -11.569   0.081  -1.924
  287    HE3  LYS  37           HE3      LYS  37 -12.851  -1.086  -1.615
  288    HZ1  LYS  37           HZ1      LYS  37 -14.257   0.702  -0.829
  289    HZ2  LYS  37           HZ2      LYS  37 -13.725   1.032  -2.396
  290    HZ3  LYS  37           HZ3      LYS  37 -13.022   1.830  -1.078
  Start of MODEL   19
    1    H1   VAL   1           H1       VAL   1  -2.654  -7.367  -3.536
    2    H2   VAL   1           H2       VAL   1  -2.466  -8.050  -5.077
    3    H3   VAL   1           H3       VAL   1  -3.977  -8.073  -4.325
    4    HA   VAL   1           HA       VAL   1  -3.732  -6.385  -6.106
    5    HB   VAL   1           HB       VAL   1  -4.747  -4.539  -4.790
    6   HG11  VAL   1          HG11      VAL   1  -6.697  -5.856  -4.027
    7   HG12  VAL   1          HG12      VAL   1  -5.763  -7.329  -4.268
    8   HG13  VAL   1          HG13      VAL   1  -6.155  -6.297  -5.643
    9   HG21  VAL   1          HG21      VAL   1  -3.345  -4.965  -2.765
   10   HG22  VAL   1          HG22      VAL   1  -4.377  -6.352  -2.418
   11   HG23  VAL   1          HG23      VAL   1  -5.060  -4.726  -2.443
   12    H    GLY   2           H        GLY   2  -1.042  -6.816  -5.544
   13    HA2  GLY   2           HA2      GLY   2   0.321  -4.797  -4.205
   14    HA3  GLY   2           HA3      GLY   2   0.997  -5.804  -5.472
   15    H    ILE   3           H        ILE   3   1.179  -2.893  -4.722
   16    HA   ILE   3           HA       ILE   3   0.460  -1.732  -7.326
   17    HB   ILE   3           HB       ILE   3   0.813   0.474  -6.149
   18   HG12  ILE   3          HG12      ILE   3   0.770  -1.272  -3.679
   19   HG13  ILE   3          HG13      ILE   3   2.186  -0.432  -4.299
   20   HG21  ILE   3          HG21      ILE   3  -1.361   0.401  -4.941
   21   HG22  ILE   3          HG22      ILE   3  -1.354  -1.356  -5.120
   22   HG23  ILE   3          HG23      ILE   3  -1.426  -0.326  -6.549
   23   HD11  ILE   3          HD11      ILE   3   1.252   1.677  -3.804
   24   HD12  ILE   3          HD12      ILE   3   1.032   0.667  -2.376
   25   HD13  ILE   3          HD13      ILE   3  -0.327   0.977  -3.460
   26    H    ASN   4           H        ASN   4   2.076   0.086  -7.911
   27    HA   ASN   4           HA       ASN   4   4.656  -1.190  -8.131
   28    HB2  ASN   4           HB2      ASN   4   5.203   0.831  -9.561
   29    HB3  ASN   4           HB3      ASN   4   3.888  -0.187 -10.134
   30   HD21  ASN   4          HD21      ASN   4   4.629   2.813  -8.440
   31   HD22  ASN   4          HD22      ASN   4   3.155   3.621  -8.864
   32    H    VAL   5           H        VAL   5   4.274  -0.595  -5.514
   33    HA   VAL   5           HA       VAL   5   6.168   1.611  -5.049
   34    HB   VAL   5           HB       VAL   5   3.861   0.855  -3.239
   35   HG11  VAL   5          HG11      VAL   5   4.452   2.935  -2.047
   36   HG12  VAL   5          HG12      VAL   5   5.877   3.089  -3.072
   37   HG13  VAL   5          HG13      VAL   5   5.726   1.717  -1.975
   38   HG21  VAL   5          HG21      VAL   5   2.855   2.968  -3.888
   39   HG22  VAL   5          HG22      VAL   5   3.091   1.937  -5.300
   40   HG23  VAL   5          HG23      VAL   5   4.189   3.283  -4.997
   41    H    LYS   6           H        LYS   6   7.695   1.273  -3.437
   42    HA   LYS   6           HA       LYS   6   8.235  -1.549  -2.935
   43    HB2  LYS   6           HB2      LYS   6   9.927   0.020  -3.975
   44    HB3  LYS   6           HB3      LYS   6  10.028   0.823  -2.416
   45    HG2  LYS   6           HG2      LYS   6  10.839  -1.207  -1.385
   46    HG3  LYS   6           HG3      LYS   6  10.664  -2.076  -2.912
   47    HD2  LYS   6           HD2      LYS   6  12.280  -0.478  -3.930
   48    HD3  LYS   6           HD3      LYS   6  12.525   0.226  -2.331
   49    HE2  LYS   6           HE2      LYS   6  14.288  -1.364  -2.826
   50    HE3  LYS   6           HE3      LYS   6  13.288  -1.955  -1.504
   51    HZ1  LYS   6           HZ1      LYS   6  12.138  -3.397  -3.050
   52    HZ2  LYS   6           HZ2      LYS   6  13.800  -3.699  -3.096
   53    HZ3  LYS   6           HZ3      LYS   6  13.069  -2.813  -4.335
   54    H    CYS   7           H        CYS   7   8.693  -2.372  -0.886
   55    HA   CYS   7           HA       CYS   7   7.137  -1.193   1.217
   56    HB2  CYS   7           HB2      CYS   7   7.139  -3.608   0.885
   57    HB3  CYS   7           HB3      CYS   7   8.873  -3.670   1.165
   58    H    LYS   8           H        LYS   8   8.459   0.801   1.378
   59    HA   LYS   8           HA       LYS   8  10.949   0.478   2.838
   60    HB2  LYS   8           HB2      LYS   8   9.484   3.008   2.071
   61    HB3  LYS   8           HB3      LYS   8  11.126   2.901   2.695
   62    HG2  LYS   8           HG2      LYS   8  11.831   1.708   0.702
   63    HG3  LYS   8           HG3      LYS   8  10.181   1.740   0.081
   64    HD2  LYS   8           HD2      LYS   8  11.384   3.480  -1.009
   65    HD3  LYS   8           HD3      LYS   8  10.299   4.242   0.152
   66    HE2  LYS   8           HE2      LYS   8  12.150   4.485   1.728
   67    HE3  LYS   8           HE3      LYS   8  13.235   3.702   0.580
   68    HZ1  LYS   8           HZ1      LYS   8  13.518   6.044   0.411
   69    HZ2  LYS   8           HZ2      LYS   8  11.858   6.307   0.247
   70    HZ3  LYS   8           HZ3      LYS   8  12.717   5.534  -0.989
   71    H    HIS   9           H        HIS   9   7.730   1.903   3.318
   72    HA   HIS   9           HA       HIS   9   7.930   1.392   6.193
   73    HB2  HIS   9           HB2      HIS   9   7.019   4.092   5.172
   74    HB3  HIS   9           HB3      HIS   9   7.305   3.616   6.839
   75    HD1  HIS   9           HD1      HIS   9   9.086   4.605   3.701
   76    HD2  HIS   9           HD2      HIS   9   9.964   3.806   7.688
   77    HE1  HIS   9           HE1      HIS   9  11.486   5.248   4.006
   78    HE2  HIS   9           HE2      HIS   9  11.943   4.939   6.465
   79    H    SER  10           H        SER  10   6.005   0.788   7.050
   80    HA   SER  10           HA       SER  10   3.879   0.098   5.327
   81    HB2  SER  10           HB2      SER  10   2.704  -0.357   7.577
   82    HB3  SER  10           HB3      SER  10   4.167  -1.275   7.213
   83    HG   SER  10           HG       SER  10   5.122  -0.369   8.847
   84    H    GLY  11           H        GLY  11   4.395   2.803   7.523
   85    HA2  GLY  11           HA2      GLY  11   1.764   3.891   7.232
   86    HA3  GLY  11           HA3      GLY  11   3.169   4.727   7.880
   87    H    GLN  12           H        GLN  12   4.574   3.883   5.308
   88    HA   GLN  12           HA       GLN  12   3.898   6.240   3.783
   89    HB2  GLN  12           HB2      GLN  12   6.235   5.653   4.056
   90    HB3  GLN  12           HB3      GLN  12   5.957   4.064   3.362
   91    HG2  GLN  12           HG2      GLN  12   5.467   5.089   1.214
   92    HG3  GLN  12           HG3      GLN  12   5.701   6.688   1.925
   93   HE21  GLN  12          HE21      GLN  12   7.373   7.171   0.525
   94   HE22  GLN  12          HE22      GLN  12   8.943   6.467   0.681
   95    H    CYS  13           H        CYS  13   3.447   2.791   3.632
   96    HA   CYS  13           HA       CYS  13   2.642   2.599   0.930
   97    HB2  CYS  13           HB2      CYS  13   2.669   0.865   3.294
   98    HB3  CYS  13           HB3      CYS  13   1.351   0.527   2.176
   99    H    LEU  14           H        LEU  14   1.065   3.757   3.723
  100    HA   LEU  14           HA       LEU  14  -1.628   3.290   3.097
  101    HB2  LEU  14           HB2      LEU  14  -0.359   5.626   4.525
  102    HB3  LEU  14           HB3      LEU  14  -2.063   5.242   4.547
  103    HG   LEU  14           HG       LEU  14   0.166   3.585   5.724
  104   HD11  LEU  14          HD11      LEU  14  -2.089   5.102   7.020
  105   HD12  LEU  14          HD12      LEU  14  -0.386   5.558   7.028
  106   HD13  LEU  14          HD13      LEU  14  -0.909   4.090   7.853
  107   HD21  LEU  14          HD21      LEU  14  -1.490   2.089   4.856
  108   HD22  LEU  14          HD22      LEU  14  -2.792   3.037   5.574
  109   HD23  LEU  14          HD23      LEU  14  -1.661   2.162   6.610
  110    H    LYS  15           H        LYS  15   0.497   5.973   2.359
  111    HA   LYS  15           HA       LYS  15  -1.271   7.751   1.237
  112    HB2  LYS  15           HB2      LYS  15   1.629   7.339   0.534
  113    HB3  LYS  15           HB3      LYS  15   0.690   8.776   0.159
  114    HG2  LYS  15           HG2      LYS  15   0.457   9.322   2.458
  115    HG3  LYS  15           HG3      LYS  15   1.113   7.763   2.958
  116    HD2  LYS  15           HD2      LYS  15   2.782   9.505   3.222
  117    HD3  LYS  15           HD3      LYS  15   3.275   8.375   1.962
  118    HE2  LYS  15           HE2      LYS  15   2.529   9.925   0.249
  119    HE3  LYS  15           HE3      LYS  15   1.953  11.043   1.485
  120    HZ1  LYS  15           HZ1      LYS  15   4.773  10.220   1.053
  121    HZ2  LYS  15           HZ2      LYS  15   4.237  11.259   2.275
  122    HZ3  LYS  15           HZ3      LYS  15   4.101  11.721   0.657
  123    HA   PRO  16           HA       PRO  16  -0.518   6.183  -3.208
  124    HB2  PRO  16           HB2      PRO  16   0.678   3.800  -3.651
  125    HB3  PRO  16           HB3      PRO  16   1.582   5.311  -3.512
  126    HG2  PRO  16           HG2      PRO  16   1.145   3.171  -1.469
  127    HG3  PRO  16           HG3      PRO  16   2.623   4.076  -1.846
  128    HD2  PRO  16           HD2      PRO  16   1.019   4.666   0.266
  129    HD3  PRO  16           HD3      PRO  16   1.989   5.880  -0.586
  130    H    CYS  17           H        CYS  17  -1.209   3.746  -0.761
  131    HA   CYS  17           HA       CYS  17  -2.777   2.097  -2.450
  132    HB2  CYS  17           HB2      CYS  17  -2.308   2.279   0.495
  133    HB3  CYS  17           HB3      CYS  17  -3.552   1.225  -0.144
  134    H    LYS  18           H        LYS  18  -3.552   4.742  -0.215
  135    HA   LYS  18           HA       LYS  18  -6.362   4.411  -0.372
  136    HB2  LYS  18           HB2      LYS  18  -6.507   6.639   0.561
  137    HB3  LYS  18           HB3      LYS  18  -5.227   5.758   1.379
  138    HG2  LYS  18           HG2      LYS  18  -3.552   6.908   0.111
  139    HG3  LYS  18           HG3      LYS  18  -4.784   7.699  -0.872
  140    HD2  LYS  18           HD2      LYS  18  -5.620   8.838   1.153
  141    HD3  LYS  18           HD3      LYS  18  -4.336   8.072   2.092
  142    HE2  LYS  18           HE2      LYS  18  -2.672   9.165   0.624
  143    HE3  LYS  18           HE3      LYS  18  -3.987   9.995  -0.204
  144    HZ1  LYS  18           HZ1      LYS  18  -3.285  10.268   2.666
  145    HZ2  LYS  18           HZ2      LYS  18  -4.581  11.041   1.905
  146    HZ3  LYS  18           HZ3      LYS  18  -2.993  11.412   1.456
  147    H    LYS  19           H        LYS  19  -3.991   5.803  -2.456
  148    HA   LYS  19           HA       LYS  19  -5.849   7.350  -4.035
  149    HB2  LYS  19           HB2      LYS  19  -2.992   6.535  -4.627
  150    HB3  LYS  19           HB3      LYS  19  -3.923   7.729  -5.519
  151    HG2  LYS  19           HG2      LYS  19  -4.016   9.154  -3.555
  152    HG3  LYS  19           HG3      LYS  19  -3.131   7.943  -2.622
  153    HD2  LYS  19           HD2      LYS  19  -1.229   8.178  -4.173
  154    HD3  LYS  19           HD3      LYS  19  -2.112   9.436  -5.040
  155    HE2  LYS  19           HE2      LYS  19  -2.197  10.754  -2.944
  156    HE3  LYS  19           HE3      LYS  19  -1.211   9.519  -2.163
  157    HZ1  LYS  19           HZ1      LYS  19   0.551   9.970  -3.746
  158    HZ2  LYS  19           HZ2      LYS  19   0.126  11.380  -2.916
  159    HZ3  LYS  19           HZ3      LYS  19  -0.396  11.149  -4.507
  160    H    ALA  20           H        ALA  20  -4.763   4.159  -3.812
  161    HA   ALA  20           HA       ALA  20  -5.501   3.412  -6.526
  162    HB1  ALA  20           HB1      ALA  20  -4.438   1.839  -4.175
  163    HB2  ALA  20           HB2      ALA  20  -3.599   2.271  -5.668
  164    HB3  ALA  20           HB3      ALA  20  -4.912   1.097  -5.706
  165    H    GLY  21           H        GLY  21  -7.255   4.337  -4.075
  166    HA2  GLY  21           HA2      GLY  21  -9.505   4.111  -3.638
  167    HA3  GLY  21           HA3      GLY  21  -9.581   2.882  -4.892
  168    H    MET  22           H        MET  22  -7.230   2.486  -2.420
  169    HA   MET  22           HA       MET  22  -8.720   0.150  -1.505
  170    HB2  MET  22           HB2      MET  22  -5.804   0.870  -1.292
  171    HB3  MET  22           HB3      MET  22  -6.511  -0.550  -0.542
  172    HG2  MET  22           HG2      MET  22  -6.431   0.058  -3.483
  173    HG3  MET  22           HG3      MET  22  -5.460  -1.135  -2.625
  174    HE1  MET  22           HE1      MET  22  -7.859  -3.391  -4.724
  175    HE2  MET  22           HE2      MET  22  -6.182  -3.053  -4.294
  176    HE3  MET  22           HE3      MET  22  -7.114  -1.868  -5.207
  177    H    ARG  23           H        ARG  23  -8.042  -0.457   0.872
  178    HA   ARG  23           HA       ARG  23  -9.231   1.658   2.447
  179    HB2  ARG  23           HB2      ARG  23  -9.879  -0.762   2.616
  180    HB3  ARG  23           HB3      ARG  23  -8.304  -1.084   3.314
  181    HG2  ARG  23           HG2      ARG  23  -8.824  -0.093   5.299
  182    HG3  ARG  23           HG3      ARG  23 -10.036   0.964   4.576
  183    HD2  ARG  23           HD2      ARG  23 -10.814  -1.023   6.045
  184    HD3  ARG  23           HD3      ARG  23 -11.650  -0.699   4.530
  185    HE   ARG  23           HE       ARG  23 -10.121  -2.490   3.587
  186   HH11  ARG  23          HH11      ARG  23 -11.096  -2.469   6.948
  187   HH12  ARG  23          HH12      ARG  23 -11.079  -4.198   7.092
  188   HH21  ARG  23          HH21      ARG  23 -10.115  -4.756   3.761
  189   HH22  ARG  23          HH22      ARG  23 -10.505  -5.502   5.283
  190    H    PHE  24           H        PHE  24  -6.438  -0.451   3.109
  191    HA   PHE  24           HA       PHE  24  -4.861   1.946   3.767
  192    HB2  PHE  24           HB2      PHE  24  -3.922  -0.371   5.234
  193    HB3  PHE  24           HB3      PHE  24  -4.330   1.226   5.832
  194    HD1  PHE  24           HD1      PHE  24  -5.632  -2.081   5.045
  195    HD2  PHE  24           HD2      PHE  24  -6.364   1.600   7.008
  196    HE1  PHE  24           HE1      PHE  24  -7.579  -3.073   6.124
  197    HE2  PHE  24           HE2      PHE  24  -8.319   0.613   8.136
  198    HZ   PHE  24           HZ       PHE  24  -8.930  -1.735   7.701
  199    H    GLY  25           H        GLY  25  -2.436   1.019   4.056
  200    HA2  GLY  25           HA2      GLY  25  -1.912  -0.709   1.731
  201    HA3  GLY  25           HA3      GLY  25  -0.960   0.733   2.056
  202    H    LYS  26           H        LYS  26  -0.990  -2.544   2.358
  203    HA   LYS  26           HA       LYS  26   0.451  -2.614   4.890
  204    HB2  LYS  26           HB2      LYS  26  -1.308  -4.358   4.127
  205    HB3  LYS  26           HB3      LYS  26  -0.018  -4.969   3.103
  206    HG2  LYS  26           HG2      LYS  26   1.377  -5.363   5.052
  207    HG3  LYS  26           HG3      LYS  26   0.102  -4.735   6.094
  208    HD2  LYS  26           HD2      LYS  26  -1.394  -6.527   5.280
  209    HD3  LYS  26           HD3      LYS  26  -0.054  -7.179   4.335
  210    HE2  LYS  26           HE2      LYS  26  -0.287  -8.401   6.419
  211    HE3  LYS  26           HE3      LYS  26   1.229  -7.503   6.401
  212    HZ1  LYS  26           HZ1      LYS  26   0.214  -5.812   7.785
  213    HZ2  LYS  26           HZ2      LYS  26   0.087  -7.323   8.531
  214    HZ3  LYS  26           HZ3      LYS  26  -1.260  -6.641   7.775
  215    H    CYS  27           H        CYS  27   2.554  -3.286   5.069
  216    HA   CYS  27           HA       CYS  27   4.170  -2.933   2.660
  217    HB2  CYS  27           HB2      CYS  27   4.528  -1.900   5.126
  218    HB3  CYS  27           HB3      CYS  27   5.448  -3.388   5.309
  219    H    ILE  28           H        ILE  28   4.676  -4.727   1.555
  220    HA   ILE  28           HA       ILE  28   4.534  -7.278   3.001
  221    HB   ILE  28           HB       ILE  28   2.936  -6.510   0.980
  222   HG12  ILE  28          HG12      ILE  28   2.442  -8.891   0.593
  223   HG13  ILE  28          HG13      ILE  28   3.920  -9.330   1.439
  224   HG21  ILE  28          HG21      ILE  28   5.192  -7.962  -0.379
  225   HG22  ILE  28          HG22      ILE  28   4.681  -6.297  -0.661
  226   HG23  ILE  28          HG23      ILE  28   3.612  -7.632  -1.090
  227   HD11  ILE  28          HD11      ILE  28   1.626  -7.824   2.668
  228   HD12  ILE  28          HD12      ILE  28   3.060  -8.429   3.496
  229   HD13  ILE  28          HD13      ILE  28   1.893  -9.560   2.815
  230    H    ASN  29           H        ASN  29   5.787  -9.038   1.554
  231    HA   ASN  29           HA       ASN  29   8.465  -8.723   2.019
  232    HB2  ASN  29           HB2      ASN  29   7.266 -10.419  -0.179
  233    HB3  ASN  29           HB3      ASN  29   8.846 -10.642   0.563
  234   HD21  ASN  29          HD21      ASN  29   5.445 -11.088   0.875
  235   HD22  ASN  29          HD22      ASN  29   5.488 -12.047   2.314
  236    H    GLY  30           H        GLY  30   9.123  -6.673   1.322
  237    HA2  GLY  30           HA2      GLY  30  10.504  -5.462  -0.077
  238    HA3  GLY  30           HA3      GLY  30  10.307  -6.703  -1.302
  239    H    LYS  31           H        LYS  31   7.221  -6.131  -0.649
  240    HA   LYS  31           HA       LYS  31   7.092  -4.031  -2.724
  241    HB2  LYS  31           HB2      LYS  31   5.468  -6.575  -2.545
  242    HB3  LYS  31           HB3      LYS  31   5.154  -5.272  -3.679
  243    HG2  LYS  31           HG2      LYS  31   7.734  -6.811  -3.564
  244    HG3  LYS  31           HG3      LYS  31   6.388  -7.208  -4.633
  245    HD2  LYS  31           HD2      LYS  31   6.555  -4.966  -5.635
  246    HD3  LYS  31           HD3      LYS  31   7.938  -4.619  -4.594
  247    HE2  LYS  31           HE2      LYS  31   9.193  -6.424  -5.623
  248    HE3  LYS  31           HE3      LYS  31   7.801  -6.851  -6.616
  249    HZ1  LYS  31           HZ1      LYS  31   7.954  -4.731  -7.723
  250    HZ2  LYS  31           HZ2      LYS  31   9.441  -5.527  -7.825
  251    HZ3  LYS  31           HZ3      LYS  31   9.238  -4.256  -6.732
  252    H    CYS  32           H        CYS  32   4.750  -3.189  -2.925
  253    HA   CYS  32           HA       CYS  32   3.620  -2.920  -0.221
  254    HB2  CYS  32           HB2      CYS  32   4.459  -0.833  -1.410
  255    HB3  CYS  32           HB3      CYS  32   3.139  -1.054  -2.559
  256    H    ASP  33           H        ASP  33   1.930  -4.238   0.056
  257    HA   ASP  33           HA       ASP  33   0.007  -4.480  -2.165
  258    HB2  ASP  33           HB2      ASP  33   1.045  -6.634  -1.612
  259    HB3  ASP  33           HB3      ASP  33   0.503  -6.480   0.053
  260    H    CYS  34           H        CYS  34  -1.821  -3.545  -1.852
  261    HA   CYS  34           HA       CYS  34  -2.321  -2.184   0.629
  262    HB2  CYS  34           HB2      CYS  34  -4.055  -2.276  -1.837
  263    HB3  CYS  34           HB3      CYS  34  -4.065  -1.050  -0.574
  264    H    THR  35           H        THR  35  -4.506  -2.199   1.659
  265    HA   THR  35           HA       THR  35  -5.701  -4.878   1.552
  266    HB   THR  35           HB       THR  35  -6.244  -2.711   3.559
  267    HG1  THR  35           HG1      THR  35  -4.269  -4.766   3.583
  268   HG21  THR  35          HG21      THR  35  -7.911  -4.475   3.453
  269   HG22  THR  35          HG22      THR  35  -6.991  -4.588   4.958
  270   HG23  THR  35          HG23      THR  35  -6.650  -5.698   3.630
  271    HA   PRO  36           HA       PRO  36  -8.991  -2.647  -0.662
  272    HB2  PRO  36           HB2      PRO  36 -10.372  -4.921  -1.277
  273    HB3  PRO  36           HB3      PRO  36  -9.065  -4.274  -2.268
  274    HG2  PRO  36           HG2      PRO  36  -9.015  -6.499  -0.275
  275    HG3  PRO  36           HG3      PRO  36  -8.201  -6.381  -1.846
  276    HD2  PRO  36           HD2      PRO  36  -6.914  -5.971   0.491
  277    HD3  PRO  36           HD3      PRO  36  -6.475  -5.116  -0.997
  278    H    LYS  37           H        LYS  37 -11.143  -2.248  -0.068
  279    HA   LYS  37           HA       LYS  37 -11.837  -3.157   2.600
  280    HB2  LYS  37           HB2      LYS  37 -13.580  -1.432   2.553
  281    HB3  LYS  37           HB3      LYS  37 -12.002  -0.764   2.182
  282    HG2  LYS  37           HG2      LYS  37 -12.606  -0.809  -0.221
  283    HG3  LYS  37           HG3      LYS  37 -14.222  -1.345   0.236
  284    HD2  LYS  37           HD2      LYS  37 -14.446   0.966  -0.006
  285    HD3  LYS  37           HD3      LYS  37 -14.270   0.742   1.731
  286    HE2  LYS  37           HE2      LYS  37 -12.890   2.576   1.134
  287    HE3  LYS  37           HE3      LYS  37 -11.816   1.212   1.436
  288    HZ1  LYS  37           HZ1      LYS  37 -11.617   0.859  -0.930
  289    HZ2  LYS  37           HZ2      LYS  37 -11.220   2.465  -0.573
  290    HZ3  LYS  37           HZ3      LYS  37 -12.725   2.096  -1.250
  Start of MODEL   20
    1    H1   VAL   1           H1       VAL   1  -3.506  -6.842  -6.469
    2    H2   VAL   1           H2       VAL   1  -5.022  -7.369  -5.936
    3    H3   VAL   1           H3       VAL   1  -3.675  -7.511  -4.926
    4    HA   VAL   1           HA       VAL   1  -4.816  -4.962  -5.876
    5    HB   VAL   1           HB       VAL   1  -5.472  -4.645  -3.470
    6   HG11  VAL   1          HG11      VAL   1  -7.547  -5.874  -3.706
    7   HG12  VAL   1          HG12      VAL   1  -6.828  -6.899  -4.944
    8   HG13  VAL   1          HG13      VAL   1  -7.077  -5.182  -5.255
    9   HG21  VAL   1          HG21      VAL   1  -4.025  -6.472  -2.617
   10   HG22  VAL   1          HG22      VAL   1  -5.137  -7.637  -3.336
   11   HG23  VAL   1          HG23      VAL   1  -5.692  -6.561  -2.051
   12    H    GLY   2           H        GLY   2  -2.068  -5.757  -6.053
   13    HA2  GLY   2           HA2      GLY   2  -0.810  -4.190  -3.908
   14    HA3  GLY   2           HA3      GLY   2   0.028  -5.264  -5.023
   15    H    ILE   3           H        ILE   3   0.988  -2.726  -4.606
   16    HA   ILE   3           HA       ILE   3   0.232  -1.335  -7.089
   17    HB   ILE   3           HB       ILE   3   0.917   0.787  -5.911
   18   HG12  ILE   3          HG12      ILE   3   0.716  -1.003  -3.479
   19   HG13  ILE   3          HG13      ILE   3   2.184  -0.244  -4.083
   20   HG21  ILE   3          HG21      ILE   3  -1.226   0.982  -4.667
   21   HG22  ILE   3          HG22      ILE   3  -1.465  -0.751  -4.892
   22   HG23  ILE   3          HG23      ILE   3  -1.405   0.319  -6.292
   23   HD11  ILE   3          HD11      ILE   3   1.342   1.926  -3.552
   24   HD12  ILE   3          HD12      ILE   3   1.199   0.895  -2.132
   25   HD13  ILE   3          HD13      ILE   3  -0.225   1.261  -3.105
   26    H    ASN   4           H        ASN   4   2.030   0.385  -7.561
   27    HA   ASN   4           HA       ASN   4   4.423  -1.185  -8.048
   28    HB2  ASN   4           HB2      ASN   4   5.045   0.737  -9.524
   29    HB3  ASN   4           HB3      ASN   4   3.512  -0.018  -9.940
   30   HD21  ASN   4          HD21      ASN   4   5.012   2.778  -8.443
   31   HD22  ASN   4          HD22      ASN   4   3.640   3.823  -8.598
   32    H    VAL   5           H        VAL   5   4.085  -0.339  -5.342
   33    HA   VAL   5           HA       VAL   5   6.216   1.679  -5.111
   34    HB   VAL   5           HB       VAL   5   4.098   1.081  -3.044
   35   HG11  VAL   5          HG11      VAL   5   4.829   3.200  -2.055
   36   HG12  VAL   5          HG12      VAL   5   6.101   3.322  -3.273
   37   HG13  VAL   5          HG13      VAL   5   6.128   2.005  -2.098
   38   HG21  VAL   5          HG21      VAL   5   2.967   3.074  -3.711
   39   HG22  VAL   5          HG22      VAL   5   3.156   2.044  -5.133
   40   HG23  VAL   5          HG23      VAL   5   4.209   3.442  -4.907
   41    H    LYS   6           H        LYS   6   8.002   1.157  -4.041
   42    HA   LYS   6           HA       LYS   6   8.353  -1.574  -3.191
   43    HB2  LYS   6           HB2      LYS   6  10.285   0.751  -3.078
   44    HB3  LYS   6           HB3      LYS   6  10.691  -0.942  -2.847
   45    HG2  LYS   6           HG2      LYS   6  10.087  -1.426  -5.150
   46    HG3  LYS   6           HG3      LYS   6   9.602   0.251  -5.390
   47    HD2  LYS   6           HD2      LYS   6  11.791  -0.029  -6.317
   48    HD3  LYS   6           HD3      LYS   6  11.942   0.931  -4.847
   49    HE2  LYS   6           HE2      LYS   6  13.712  -0.696  -4.908
   50    HE3  LYS   6           HE3      LYS   6  12.584  -1.126  -3.623
   51    HZ1  LYS   6           HZ1      LYS   6  12.665  -2.348  -6.330
   52    HZ2  LYS   6           HZ2      LYS   6  11.598  -2.772  -5.090
   53    HZ3  LYS   6           HZ3      LYS   6  13.252  -3.058  -4.912
   54    H    CYS   7           H        CYS   7   8.176  -2.303  -1.206
   55    HA   CYS   7           HA       CYS   7   7.258  -0.681   0.922
   56    HB2  CYS   7           HB2      CYS   7   6.518  -2.909   0.947
   57    HB3  CYS   7           HB3      CYS   7   8.140  -3.546   0.706
   58    H    LYS   8           H        LYS   8   8.767   0.929   1.365
   59    HA   LYS   8           HA       LYS   8  11.390   0.114   2.316
   60    HB2  LYS   8           HB2      LYS   8  10.133   2.857   2.157
   61    HB3  LYS   8           HB3      LYS   8  11.799   2.524   2.606
   62    HG2  LYS   8           HG2      LYS   8  12.175   1.555   0.373
   63    HG3  LYS   8           HG3      LYS   8  10.521   1.988  -0.065
   64    HD2  LYS   8           HD2      LYS   8  11.950   3.698  -0.909
   65    HD3  LYS   8           HD3      LYS   8  11.101   4.365   0.483
   66    HE2  LYS   8           HE2      LYS   8  13.442   5.004   0.534
   67    HE3  LYS   8           HE3      LYS   8  13.070   3.930   1.880
   68    HZ1  LYS   8           HZ1      LYS   8  15.165   3.366   0.801
   69    HZ2  LYS   8           HZ2      LYS   8  14.363   3.104  -0.662
   70    HZ3  LYS   8           HZ3      LYS   8  14.050   2.102   0.667
   71    H    HIS   9           H        HIS   9   8.358   1.403   3.535
   72    HA   HIS   9           HA       HIS   9   9.163   0.793   6.272
   73    HB2  HIS   9           HB2      HIS   9   7.969   3.487   5.588
   74    HB3  HIS   9           HB3      HIS   9   8.612   2.963   7.136
   75    HD1  HIS   9           HD1      HIS   9   9.527   4.607   4.000
   76    HD2  HIS   9           HD2      HIS   9  11.513   2.827   7.190
   77    HE1  HIS   9           HE1      HIS   9  11.921   5.289   3.760
   78    HE2  HIS   9           HE2      HIS   9  13.132   4.115   5.629
   79    H    SER  10           H        SER  10   7.447   0.030   7.447
   80    HA   SER  10           HA       SER  10   5.007  -0.469   6.074
   81    HB2  SER  10           HB2      SER  10   4.276  -1.420   8.281
   82    HB3  SER  10           HB3      SER  10   5.781  -2.091   7.655
   83    HG   SER  10           HG       SER  10   5.425  -0.202   9.737
   84    H    GLY  11           H        GLY  11   3.953   1.309   5.526
   85    HA2  GLY  11           HA2      GLY  11   2.144   2.730   6.740
   86    HA3  GLY  11           HA3      GLY  11   3.568   3.449   7.487
   87    H    GLN  12           H        GLN  12   5.140   2.994   5.043
   88    HA   GLN  12           HA       GLN  12   4.694   5.445   3.701
   89    HB2  GLN  12           HB2      GLN  12   6.900   4.278   3.868
   90    HB3  GLN  12           HB3      GLN  12   6.297   3.053   2.769
   91    HG2  GLN  12           HG2      GLN  12   5.965   4.818   1.074
   92    HG3  GLN  12           HG3      GLN  12   6.765   5.953   2.161
   93   HE21  GLN  12          HE21      GLN  12   7.146   3.240   0.044
   94   HE22  GLN  12          HE22      GLN  12   8.873   3.254  -0.008
   95    H    CYS  13           H        CYS  13   3.476   2.259   3.298
   96    HA   CYS  13           HA       CYS  13   2.751   2.585   0.523
   97    HB2  CYS  13           HB2      CYS  13   1.972   0.377   2.433
   98    HB3  CYS  13           HB3      CYS  13   1.921   0.324   0.674
   99    H    LEU  14           H        LEU  14   1.407   3.577   3.427
  100    HA   LEU  14           HA       LEU  14  -1.319   2.967   3.114
  101    HB2  LEU  14           HB2      LEU  14   0.020   5.270   4.525
  102    HB3  LEU  14           HB3      LEU  14  -1.691   4.914   4.643
  103    HG   LEU  14           HG       LEU  14   0.532   3.077   5.540
  104   HD11  LEU  14          HD11      LEU  14  -1.361   4.802   7.124
  105   HD12  LEU  14          HD12      LEU  14   0.377   5.046   6.948
  106   HD13  LEU  14          HD13      LEU  14  -0.233   3.627   7.800
  107   HD21  LEU  14          HD21      LEU  14  -1.393   1.807   4.861
  108   HD22  LEU  14          HD22      LEU  14  -2.464   2.865   5.781
  109   HD23  LEU  14          HD23      LEU  14  -1.311   1.830   6.622
  110    H    LYS  15           H        LYS  15   0.448   5.937   2.317
  111    HA   LYS  15           HA       LYS  15  -1.728   7.367   1.321
  112    HB2  LYS  15           HB2      LYS  15   1.197   7.648   0.660
  113    HB3  LYS  15           HB3      LYS  15  -0.038   8.829   0.247
  114    HG2  LYS  15           HG2      LYS  15  -0.529   9.122   2.641
  115    HG3  LYS  15           HG3      LYS  15   0.765   7.988   3.025
  116    HD2  LYS  15           HD2      LYS  15   1.116  10.589   1.533
  117    HD3  LYS  15           HD3      LYS  15   1.472  10.342   3.243
  118    HE2  LYS  15           HE2      LYS  15   3.111   8.599   2.598
  119    HE3  LYS  15           HE3      LYS  15   2.799   8.975   0.906
  120    HZ1  LYS  15           HZ1      LYS  15   3.576  11.226   1.305
  121    HZ2  LYS  15           HZ2      LYS  15   4.770  10.102   1.704
  122    HZ3  LYS  15           HZ3      LYS  15   3.881  10.860   2.927
  123    HA   PRO  16           HA       PRO  16  -0.490   6.112  -3.166
  124    HB2  PRO  16           HB2      PRO  16   0.885   3.748  -3.422
  125    HB3  PRO  16           HB3      PRO  16   1.621   5.350  -3.488
  126    HG2  PRO  16           HG2      PRO  16   1.526   3.399  -1.239
  127    HG3  PRO  16           HG3      PRO  16   2.824   4.504  -1.717
  128    HD2  PRO  16           HD2      PRO  16   1.176   4.993   0.381
  129    HD3  PRO  16           HD3      PRO  16   1.900   6.282  -0.601
  130    H    CYS  17           H        CYS  17  -1.235   3.744  -0.680
  131    HA   CYS  17           HA       CYS  17  -2.713   2.036  -2.444
  132    HB2  CYS  17           HB2      CYS  17  -2.256   2.160   0.506
  133    HB3  CYS  17           HB3      CYS  17  -3.518   1.136  -0.144
  134    H    LYS  18           H        LYS  18  -3.534   4.605  -0.129
  135    HA   LYS  18           HA       LYS  18  -6.347   4.232  -0.382
  136    HB2  LYS  18           HB2      LYS  18  -6.554   6.349   0.771
  137    HB3  LYS  18           HB3      LYS  18  -5.299   5.392   1.539
  138    HG2  LYS  18           HG2      LYS  18  -3.642   6.690   0.152
  139    HG3  LYS  18           HG3      LYS  18  -4.976   7.765  -0.267
  140    HD2  LYS  18           HD2      LYS  18  -4.181   7.145   2.570
  141    HD3  LYS  18           HD3      LYS  18  -3.555   8.522   1.664
  142    HE2  LYS  18           HE2      LYS  18  -6.479   7.998   2.180
  143    HE3  LYS  18           HE3      LYS  18  -5.472   9.082   3.138
  144    HZ1  LYS  18           HZ1      LYS  18  -6.088   9.365   0.245
  145    HZ2  LYS  18           HZ2      LYS  18  -5.061  10.381   1.123
  146    HZ3  LYS  18           HZ3      LYS  18  -6.708  10.316   1.500
  147    H    LYS  19           H        LYS  19  -3.923   5.890  -2.219
  148    HA   LYS  19           HA       LYS  19  -5.857   7.372  -3.800
  149    HB2  LYS  19           HB2      LYS  19  -2.890   6.988  -4.249
  150    HB3  LYS  19           HB3      LYS  19  -3.924   8.117  -5.108
  151    HG2  LYS  19           HG2      LYS  19  -4.378   9.203  -2.880
  152    HG3  LYS  19           HG3      LYS  19  -3.089   8.196  -2.226
  153    HD2  LYS  19           HD2      LYS  19  -2.826  10.223  -4.450
  154    HD3  LYS  19           HD3      LYS  19  -2.252  10.412  -2.795
  155    HE2  LYS  19           HE2      LYS  19  -0.319   9.801  -3.889
  156    HE3  LYS  19           HE3      LYS  19  -0.900   8.242  -3.313
  157    HZ1  LYS  19           HZ1      LYS  19  -1.775   7.759  -5.478
  158    HZ2  LYS  19           HZ2      LYS  19  -0.160   8.220  -5.650
  159    HZ3  LYS  19           HZ3      LYS  19  -1.391   9.306  -6.040
  160    H    ALA  20           H        ALA  20  -4.786   4.288  -3.581
  161    HA   ALA  20           HA       ALA  20  -5.056   3.640  -6.415
  162    HB1  ALA  20           HB1      ALA  20  -4.397   1.946  -4.003
  163    HB2  ALA  20           HB2      ALA  20  -3.280   2.508  -5.251
  164    HB3  ALA  20           HB3      ALA  20  -4.526   1.324  -5.652
  165    H    GLY  21           H        GLY  21  -7.096   4.297  -3.976
  166    HA2  GLY  21           HA2      GLY  21  -9.393   4.018  -3.870
  167    HA3  GLY  21           HA3      GLY  21  -9.288   2.890  -5.215
  168    H    MET  22           H        MET  22  -7.185   2.347  -2.562
  169    HA   MET  22           HA       MET  22  -8.790   0.005  -1.829
  170    HB2  MET  22           HB2      MET  22  -5.860   0.573  -1.335
  171    HB3  MET  22           HB3      MET  22  -6.704  -0.895  -0.878
  172    HG2  MET  22           HG2      MET  22  -6.344   0.093  -3.693
  173    HG3  MET  22           HG3      MET  22  -5.395  -1.171  -2.916
  174    HE1  MET  22           HE1      MET  22  -5.971  -2.714  -5.024
  175    HE2  MET  22           HE2      MET  22  -6.972  -1.433  -5.707
  176    HE3  MET  22           HE3      MET  22  -7.617  -3.066  -5.549
  177    H    ARG  23           H        ARG  23  -7.959  -0.633   0.618
  178    HA   ARG  23           HA       ARG  23  -9.228   1.456   2.184
  179    HB2  ARG  23           HB2      ARG  23  -9.755  -1.027   2.361
  180    HB3  ARG  23           HB3      ARG  23  -8.214  -1.204   3.175
  181    HG2  ARG  23           HG2      ARG  23  -8.934  -0.184   5.066
  182    HG3  ARG  23           HG3      ARG  23 -10.094   0.831   4.210
  183    HD2  ARG  23           HD2      ARG  23 -11.128  -0.935   5.638
  184    HD3  ARG  23           HD3      ARG  23 -11.608  -0.996   3.947
  185    HE   ARG  23           HE       ARG  23  -9.526  -2.727   4.086
  186   HH11  ARG  23          HH11      ARG  23 -12.503  -2.365   5.872
  187   HH12  ARG  23          HH12      ARG  23 -12.664  -4.062   6.199
  188   HH21  ARG  23          HH21      ARG  23  -9.741  -4.974   4.504
  189   HH22  ARG  23          HH22      ARG  23 -11.097  -5.547   5.421
  190    H    PHE  24           H        PHE  24  -6.416  -0.586   3.002
  191    HA   PHE  24           HA       PHE  24  -4.919   1.869   3.622
  192    HB2  PHE  24           HB2      PHE  24  -4.004  -0.417   5.167
  193    HB3  PHE  24           HB3      PHE  24  -4.408   1.204   5.711
  194    HD1  PHE  24           HD1      PHE  24  -5.692  -2.143   5.043
  195    HD2  PHE  24           HD2      PHE  24  -6.512   1.654   6.754
  196    HE1  PHE  24           HE1      PHE  24  -7.669  -3.074   6.123
  197    HE2  PHE  24           HE2      PHE  24  -8.504   0.724   7.865
  198    HZ   PHE  24           HZ       PHE  24  -9.084  -1.650   7.559
  199    H    GLY  25           H        GLY  25  -2.495   1.071   3.989
  200    HA2  GLY  25           HA2      GLY  25  -1.800  -0.791   1.823
  201    HA3  GLY  25           HA3      GLY  25  -1.012   0.776   1.952
  202    H    LYS  26           H        LYS  26  -0.969  -2.454   2.901
  203    HA   LYS  26           HA       LYS  26   0.670  -1.991   5.268
  204    HB2  LYS  26           HB2      LYS  26  -1.164  -3.751   5.179
  205    HB3  LYS  26           HB3      LYS  26  -0.136  -4.635   4.059
  206    HG2  LYS  26           HG2      LYS  26   1.602  -4.787   5.760
  207    HG3  LYS  26           HG3      LYS  26   0.570  -3.907   6.890
  208    HD2  LYS  26           HD2      LYS  26  -1.091  -5.697   6.768
  209    HD3  LYS  26           HD3      LYS  26  -0.071  -6.570   5.621
  210    HE2  LYS  26           HE2      LYS  26   0.662  -5.868   8.461
  211    HE3  LYS  26           HE3      LYS  26   0.167  -7.460   7.887
  212    HZ1  LYS  26           HZ1      LYS  26   2.580  -7.246   8.088
  213    HZ2  LYS  26           HZ2      LYS  26   2.578  -5.991   6.956
  214    HZ3  LYS  26           HZ3      LYS  26   2.114  -7.550   6.492
  215    H    CYS  27           H        CYS  27   2.752  -3.101   5.456
  216    HA   CYS  27           HA       CYS  27   4.179  -2.982   2.920
  217    HB2  CYS  27           HB2      CYS  27   4.833  -2.263   5.554
  218    HB3  CYS  27           HB3      CYS  27   5.851  -3.643   5.169
  219    H    ILE  28           H        ILE  28   4.355  -4.756   1.780
  220    HA   ILE  28           HA       ILE  28   4.359  -7.350   3.119
  221    HB   ILE  28           HB       ILE  28   3.157  -6.350   0.727
  222   HG12  ILE  28          HG12      ILE  28   2.045  -8.540   0.730
  223   HG13  ILE  28          HG13      ILE  28   3.186  -9.117   1.940
  224   HG21  ILE  28          HG21      ILE  28   5.123  -8.561   0.235
  225   HG22  ILE  28          HG22      ILE  28   5.064  -6.986  -0.546
  226   HG23  ILE  28          HG23      ILE  28   3.787  -8.167  -0.846
  227   HD11  ILE  28          HD11      ILE  28   2.346  -7.274   3.427
  228   HD12  ILE  28          HD12      ILE  28   1.196  -8.559   3.072
  229   HD13  ILE  28          HD13      ILE  28   1.070  -7.010   2.244
  230    H    ASN  29           H        ASN  29   5.918  -8.958   2.169
  231    HA   ASN  29           HA       ASN  29   8.526  -8.040   2.509
  232    HB2  ASN  29           HB2      ASN  29   7.651 -10.575   1.113
  233    HB3  ASN  29           HB3      ASN  29   9.239 -10.265   1.808
  234   HD21  ASN  29          HD21      ASN  29   5.945 -11.073   2.436
  235   HD22  ASN  29          HD22      ASN  29   6.133 -11.425   4.119
  236    H    GLY  30           H        GLY  30   8.827  -6.288   1.160
  237    HA2  GLY  30           HA2      GLY  30  10.250  -5.711  -0.683
  238    HA3  GLY  30           HA3      GLY  30   9.534  -7.030  -1.593
  239    H    LYS  31           H        LYS  31   6.766  -6.173  -0.641
  240    HA   LYS  31           HA       LYS  31   6.537  -4.075  -2.708
  241    HB2  LYS  31           HB2      LYS  31   4.727  -6.470  -2.370
  242    HB3  LYS  31           HB3      LYS  31   4.520  -5.188  -3.549
  243    HG2  LYS  31           HG2      LYS  31   6.618  -5.829  -4.623
  244    HG3  LYS  31           HG3      LYS  31   6.832  -7.116  -3.433
  245    HD2  LYS  31           HD2      LYS  31   4.475  -6.893  -5.305
  246    HD3  LYS  31           HD3      LYS  31   5.895  -7.896  -5.604
  247    HE2  LYS  31           HE2      LYS  31   5.430  -9.219  -3.643
  248    HE3  LYS  31           HE3      LYS  31   4.098  -8.155  -3.196
  249    HZ1  LYS  31           HZ1      LYS  31   2.863  -8.863  -5.084
  250    HZ2  LYS  31           HZ2      LYS  31   3.412 -10.256  -4.298
  251    HZ3  LYS  31           HZ3      LYS  31   4.173  -9.727  -5.711
  252    H    CYS  32           H        CYS  32   4.972  -2.529  -2.439
  253    HA   CYS  32           HA       CYS  32   3.582  -2.367   0.083
  254    HB2  CYS  32           HB2      CYS  32   3.678  -0.676  -2.401
  255    HB3  CYS  32           HB3      CYS  32   2.493  -0.341  -1.147
  256    H    ASP  33           H        ASP  33   2.048  -3.839   0.373
  257    HA   ASP  33           HA       ASP  33   0.205  -4.424  -1.833
  258    HB2  ASP  33           HB2      ASP  33   1.358  -6.342  -0.825
  259    HB3  ASP  33           HB3      ASP  33   0.702  -5.921   0.751
  260    H    CYS  34           H        CYS  34  -1.882  -3.855  -1.703
  261    HA   CYS  34           HA       CYS  34  -2.575  -2.141   0.571
  262    HB2  CYS  34           HB2      CYS  34  -3.977  -2.362  -2.089
  263    HB3  CYS  34           HB3      CYS  34  -4.169  -1.093  -0.887
  264    H    THR  35           H        THR  35  -4.470  -2.383   1.744
  265    HA   THR  35           HA       THR  35  -5.704  -5.008   1.613
  266    HB   THR  35           HB       THR  35  -6.462  -2.704   3.407
  267    HG1  THR  35           HG1      THR  35  -4.200  -4.253   3.404
  268   HG21  THR  35          HG21      THR  35  -8.075  -4.511   3.352
  269   HG22  THR  35          HG22      THR  35  -7.228  -4.509   4.901
  270   HG23  THR  35          HG23      THR  35  -6.800  -5.691   3.664
  271    HA   PRO  36           HA       PRO  36  -8.967  -3.304  -0.956
  272    HB2  PRO  36           HB2      PRO  36 -10.365  -5.822  -0.632
  273    HB3  PRO  36           HB3      PRO  36  -9.613  -5.147  -2.076
  274    HG2  PRO  36           HG2      PRO  36  -8.660  -7.339  -0.747
  275    HG3  PRO  36           HG3      PRO  36  -7.657  -6.266  -1.733
  276    HD2  PRO  36           HD2      PRO  36  -7.941  -6.401   1.232
  277    HD3  PRO  36           HD3      PRO  36  -6.506  -6.056   0.245
  278    H    LYS  37           H        LYS  37 -10.879  -2.342  -0.491
  279    HA   LYS  37           HA       LYS  37 -11.861  -2.613   2.232
  280    HB2  LYS  37           HB2      LYS  37 -13.263  -0.606   1.632
  281    HB3  LYS  37           HB3      LYS  37 -11.527  -0.351   1.595
  282    HG2  LYS  37           HG2      LYS  37 -11.553  -0.566  -0.845
  283    HG3  LYS  37           HG3      LYS  37 -13.302  -0.799  -0.796
  284    HD2  LYS  37           HD2      LYS  37 -13.541   1.424   0.244
  285    HD3  LYS  37           HD3      LYS  37 -11.796   1.652   0.114
  286    HE2  LYS  37           HE2      LYS  37 -11.954   1.451  -2.319
  287    HE3  LYS  37           HE3      LYS  37 -13.696   1.221  -2.184
  288    HZ1  LYS  37           HZ1      LYS  37 -13.160   3.491  -2.758
  289    HZ2  LYS  37           HZ2      LYS  37 -12.203   3.651  -1.376
  290    HZ3  LYS  37           HZ3      LYS  37 -13.871   3.433  -1.225