*HEADER    CELL ADHESION                           22-JAN-02   1KUZ              
*TITLE     SOLUTION STRUCTURE OF THE MEMBRANE PROXIMAL REGIONS OF                
*TITLE    2 ALPHA-IIB AND BETA-3 INTEGRINS                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: INTEGRIN ALPHA-IIB;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: MEMBRANE PROXIMAL REGION;                                  
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: INTEGRIN BETA-3;                                           
*COMPND   8 CHAIN: B;                                                            
*COMPND   9 FRAGMENT: MEMBRANE PROXIMAL REGION;                                  
*COMPND  10 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS PROTEIN WAS CUSTOM SYNTHESIZED. IT IS            
*SOURCE   4 NATURALLY FOUND IN HOMO SAPIENS (HUMAN).;                            
*SOURCE   5 MOL_ID: 2;                                                           
*SOURCE   6 SYNTHETIC: YES;                                                      
*SOURCE   7 OTHER_DETAILS: THIS PROTEIN WAS CUSTOM SYNTHESIZED. IT IS            
*SOURCE   8 NATURALLY FOUND IN HOMO SAPIENS (HUMAN).                             
*KEYWDS    COILED-COIL                                                           
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.M.WELJIE, P.M.HWANG, H.J.VOGEL                                      
*REVDAT   1   08-MAY-02 1KUZ    0                                                
 ASSI {  268}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 14   and name HA  ))
      2.500     0.800     0.800 peak   268 weight  0.10000E+01 volume  0.33980E-02 ppm1      8.389 ppm2      4.404 CV     1
 OR {  268}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 13   and name HA  ))
 ASSI {   12}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 19   and name HA  ))
      2.700     0.900     0.900 peak    12 weight  0.10000E+01 volume  0.29395E-02 ppm1      8.236 ppm2      4.626 CV     1
 OR {   12}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 18   and name HA  ))
 ASSI {   14}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 19   and name HA  ))
      2.700     0.900     0.900 peak    14 weight  0.10000E+01 volume  0.26700E-02 ppm1      8.137 ppm2      4.622 CV     1
 OR {   14}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 18   and name HA  ))
 ASSI {   29}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 29   and name HA  ))
      2.400     0.700     0.700 peak    29 weight  0.10000E+01 volume  0.56365E-02 ppm1      8.228 ppm2      4.170 CV     1
 OR {   29}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 28   and name HA  ))
 ASSI {   33}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 15   and name HA  ))
      2.300     0.600     0.600 peak    33 weight  0.10000E+01 volume  0.90884E-02 ppm1      8.130 ppm2      4.207 CV     1
 OR {   33}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 8    and name HA  ))
 ASSI {   34}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 22   and name HA  ))
      2.400     0.700     0.700 peak    34 weight  0.10000E+01 volume  0.60141E-02 ppm1      8.085 ppm2      4.214 CV     1
 OR {   34}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 21   and name HA  ))
 ASSI {   37}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 30   and name HA  ))
      2.500     2.500     3.500 peak    37 weight  0.10000E+01 volume  0.50970E-02 ppm1      8.016 ppm2      4.175 CV     1
 OR {   37}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 30   and name HA  ))
 ASSI {   39}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HA  ))
      2.400     0.700     0.700 peak    39 weight  0.10000E+01 volume  0.48273E-02 ppm1      7.938 ppm2      4.213 CV     1
 OR {   39}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 31   and name HA  ))
 ASSI {   40}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak    40 weight  0.10000E+01 volume  0.42880E-02 ppm1      7.939 ppm2      4.176 CV     1
 OR {   40}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 30   and name HA  ))
 ASSI {   89}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 14   and name HB2 ))
      2.800     0.900     0.900 peak    89 weight  0.10000E+01 volume  0.42070E-02 ppm1      8.390 ppm2      1.596 CV     1
 OR {   89}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 13   and name HB2 ))
 ASSI {  103}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 30   and name HB2 ))
      2.500     0.800     0.800 peak   103 weight  0.10000E+01 volume  0.25890E-02 ppm1      8.067 ppm2      1.803 CV     1
 OR {  103}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 30   and name HB2 ))
 ASSI {  104}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 30   and name HB1 ))
      2.700     0.900     0.900 peak   104 weight  0.10000E+01 volume  0.34790E-02 ppm1      8.066 ppm2      1.739 CV     1
 OR {  104}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 30   and name HB1 ))
 ASSI {  106}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 25   and name HG2 ))
      3.100     1.200     1.200 peak   106 weight  0.10000E+01 volume  0.37217E-02 ppm1      8.061 ppm2      1.413 CV     1
 OR {  106}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 24   and name HB2 ))
 OR {  106}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 24   and name HB1 ))
 ASSI {  142}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 25   and name HD1 ))
      3.200     3.200     2.800 peak   142 weight  0.10000E+01 volume  0.18608E-02 ppm1      7.247 ppm2      1.613 CV     1
 OR {  142}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 34   and name HD2 ))
 ASSI {  148}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 22   and name HA  ))
      2.400     0.700     0.700 peak   148 weight  0.10000E+01 volume  0.66343E-02 ppm1      8.265 ppm2      4.214 CV     1
 OR {  148}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 21   and name HA  ))
 ASSI {  174}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 23   and name HA  ))
      3.300     3.300     2.700 peak   174 weight  0.10000E+01 volume  0.23463E-02 ppm1      7.344 ppm2      4.540 CV     1
 OR {  174}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 26   and name HA  ))
 ASSI {  178}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 23   and name HA  ))
      2.700     0.900     0.900 peak   178 weight  0.10000E+01 volume  0.55017E-02 ppm1      7.243 ppm2      4.540 CV     1
 OR {  178}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 26   and name HA  ))
 ASSI {  187}
   (  segid "A   " and resid 7    and name HE% )
   (  segid "A   " and resid 7    and name HD% )
      1.400     0.300     0.800 peak   187 weight  0.10000E+01 volume  0.93768E-01 ppm1      7.344 ppm2      7.222 CV     1
 OR {  187}
   (  segid "B   " and resid 26   and name HE% )
   (  segid "B   " and resid 26   and name HD% )
 ASSI {  206}
   (( segid "B   " and resid 27   and name HN  ))
   (( segid "B   " and resid 26   and name HN  ))
      2.400     0.700     0.700 peak   206 weight  0.10000E+01 volume  0.18878E-02 ppm1      8.196 ppm2      8.056 CV     1
 OR {  206}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 26   and name HN  ))
 ASSI {  209}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 8    and name HN  ))
      2.400     0.700     0.700 peak   209 weight  0.10000E+01 volume  0.33709E-02 ppm1      8.126 ppm2      7.991 CV     1
 OR {  209}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 7    and name HN  ))
 ASSI {  212}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 36   and name HN  ))
      2.300     0.700     0.700 peak   212 weight  0.10000E+01 volume  0.52048E-02 ppm1      7.979 ppm2      8.023 CV     1
 OR {  212}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 34   and name HN  ))
 ASSI {  214}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak   214 weight  0.10000E+01 volume  0.30205E-02 ppm1      7.939 ppm2      8.059 CV     1
 OR {  214}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 30   and name HN  ))
 ASSI {  383}
   (( segid "A   " and resid 6    and name HB1 ))
   (( segid "A   " and resid 10   and name HB2 ))
      3.200     1.300     1.300 peak   383 weight  0.10000E+01 volume  0.15642E-02 ppm1      2.966 ppm2      2.736 CV     1
 OR {  383}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 10   and name HB2 ))
 ASSI {  403}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 26   and name HB2 ))
      3.800     1.800     1.800 peak   403 weight  0.10000E+01 volume  0.12405E-02 ppm1      2.386 ppm2      3.130 CV     1
 OR {  403}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 26   and name HB2 ))
 ASSI {  433}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 27   and name HG1 ))
      2.400     2.400     3.600 peak   433 weight  0.10000E+01 volume  0.10518E-02 ppm1      8.060 ppm2      2.386 CV     1
 OR {  433}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 27   and name HG1 ))
 ASSI {  458}
   (( segid "B   " and resid 17   and name HN  ))
   (  segid "B   " and resid 17   and name HG1%)
      4.000     2.000     2.000 peak   458 weight  0.10000E+01 volume  0.86299E-03 ppm1      8.020 ppm2      1.112 CV     1
 OR {  458}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 16   and name HG21))
 OR {  458}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 16   and name HG22))
 ASSI {    7}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 7    and name HA  ))
      2.100     0.600     0.600 peak     7 weight  0.10000E+01 volume  0.12810E-01 ppm1      7.991 ppm2      4.531 CV     1
 OR {    7}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 36   and name HA  ))
 OR {    7}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 6    and name HA  ))
 OR {    7}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 23   and name HA  ))
 ASSI {   31}
   (( segid "B   " and resid 27   and name HN  ))
   (( segid "B   " and resid 27   and name HA  ))
      2.700     0.900     0.900 peak    31 weight  0.10000E+01 volume  0.33709E-02 ppm1      8.187 ppm2      4.142 CV     1
 OR {   31}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 28   and name HA  ))
 OR {   31}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 25   and name HA  ))
 OR {   31}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 29   and name HA  ))
 OR {   31}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 28   and name HA  ))
 OR {   31}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 27   and name HA  ))
 OR {   31}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 27   and name HA  ))
 ASSI {   35}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak    35 weight  0.10000E+01 volume  0.60409E-02 ppm1      8.066 ppm2      4.221 CV     1
 OR {   35}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 30   and name HA  ))
 OR {   35}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 33   and name HA  ))
 OR {   35}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 22   and name HA  ))
 OR {   35}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 29   and name HA  ))
 OR {   35}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 21   and name HA  ))
 OR {   35}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 24   and name HA  ))
 OR {   35}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 30   and name HA  ))
 OR {   35}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 34   and name HA  ))
 OR {   35}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 28   and name HA  ))
 ASSI {   36}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 16   and name HB  ))
      2.500     0.800     0.800 peak    36 weight  0.10000E+01 volume  0.56634E-02 ppm1      8.063 ppm2      4.172 CV     1
 OR {   36}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 34   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 31   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 30   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 27   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 27   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 33   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 22   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 29   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 33   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 24   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 25   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 30   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 31   and name HA  ))
 ASSI {   38}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 33   and name HA  ))
      2.100     0.500     0.500 peak    38 weight  0.10000E+01 volume  0.12864E-01 ppm1      8.001 ppm2      4.212 CV     1
 OR {   38}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 16   and name HB  ))
 OR {   38}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 8    and name HA  ))
 OR {   38}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 34   and name HA  ))
 OR {   38}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 24   and name HA  ))
 OR {   38}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 21   and name HA  ))
 OR {   38}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 33   and name HA  ))
 OR {   38}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 29   and name HA  ))
 OR {   38}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 33   and name HA  ))
 OR {   38}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 34   and name HA  ))
 OR {   38}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 32   and name HA  ))
 OR {   38}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 31   and name HA  ))
 ASSI {   48}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HA  ))
      2.600     0.800     0.800 peak    48 weight  0.10000E+01 volume  0.40183E-02 ppm1      7.940 ppm2      4.240 CV     1
 OR {   48}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 31   and name HA  ))
 OR {   48}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 34   and name HA  ))
 OR {   48}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 32   and name HA  ))
 ASSI {   56}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
      2.900     1.000     1.000 peak    56 weight  0.10000E+01 volume  0.26429E-02 ppm1      8.026 ppm2      3.085 CV     1
 OR {   56}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
 OR {   56}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 26   and name HB2 ))
 OR {   56}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 23   and name HB2 ))
 ASSI {   58}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
      2.700     0.900     0.900 peak    58 weight  0.10000E+01 volume  0.29127E-02 ppm1      8.023 ppm2      3.155 CV     1
 OR {   58}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 26   and name HB1 ))
 OR {   58}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 23   and name HB1 ))
 OR {   58}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
 OR {   58}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 26   and name HB2 ))
 ASSI {   76}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 20   and name HB2 ))
      2.200     0.600     0.600 peak    76 weight  0.10000E+01 volume  0.49621E-02 ppm1      8.202 ppm2      1.900 CV     1
 OR {   76}
   (( segid "B   " and resid 27   and name HN  ))
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {   77}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.300     1.300     1.300 peak    77 weight  0.10000E+01 volume  0.15911E-02 ppm1      8.203 ppm2      1.870 CV     1
 OR {   77}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
 ASSI {   83}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.700     1.700     1.700 peak    83 weight  0.10000E+01 volume  0.16451E-02 ppm1      8.077 ppm2      1.861 CV     1
 OR {   83}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
 ASSI {   85}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.400     1.500     1.500 peak    85 weight  0.10000E+01 volume  0.18608E-02 ppm1      8.067 ppm2      1.837 CV     1
 OR {   85}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
 OR {   85}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 21   and name HB2 ))
 ASSI {  105}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 25   and name HD1 ))
      3.400     1.400     1.400 peak   105 weight  0.10000E+01 volume  0.15642E-02 ppm1      8.064 ppm2      1.662 CV     1
 OR {  105}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 34   and name HD2 ))
 OR {  105}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 14   and name HB2 ))
 OR {  105}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 34   and name HD2 ))
 ASSI {  111}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 34   and name HD2 ))
      3.700     1.700     1.700 peak   111 weight  0.10000E+01 volume  0.17799E-02 ppm1      8.012 ppm2      1.596 CV     1
 OR {  111}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 34   and name HD2 ))
 OR {  111}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 32   and name HG2 ))
 OR {  111}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 14   and name HB2 ))
 OR {  111}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 25   and name HD1 ))
 ASSI {  119}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 32   and name HB1 ))
      2.900     1.000     1.000 peak   119 weight  0.10000E+01 volume  0.15642E-02 ppm1      7.987 ppm2      1.815 CV     1
 OR {  119}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
 OR {  119}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 17   and name HB  ))
 OR {  119}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
 OR {  119}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HB1 ))
 ASSI {  126}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 31   and name HB1 ))
      2.700     0.900     0.900 peak   126 weight  0.10000E+01 volume  0.39644E-02 ppm1      7.939 ppm2      1.417 CV     1
 OR {  126}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  139}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 30   and name HG2 ))
      3.300     1.300     1.300 peak   139 weight  0.10000E+01 volume  0.15642E-02 ppm1      7.340 ppm2      1.609 CV     1
 OR {  139}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 25   and name HD1 ))
 ASSI {  155}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 30   and name HB2 ))
      3.000     1.100     1.100 peak   155 weight  0.10000E+01 volume  0.18069E-02 ppm1      7.245 ppm2      1.748 CV     1
 OR {  155}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 30   and name HB1 ))
 OR {  155}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 3    and name HB1 ))
 OR {  155}
   (( segid "B   " and resid 30   and name HH21))
   (( segid "B   " and resid 30   and name HB1 ))
 OR {  155}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HB1 ))
 OR {  155}
   (( segid "B   " and resid 30   and name HH21))
   (( segid "B   " and resid 30   and name HB2 ))
 ASSI {  166}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 7    and name HB1 ))
      2.300     0.700     0.700 peak   166 weight  0.10000E+01 volume  0.60141E-02 ppm1      7.243 ppm2      3.170 CV     1
 OR {  166}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 23   and name HB1 ))
 OR {  166}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 26   and name HB1 ))
 OR {  166}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 11   and name HE  ))
 ASSI {  169}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 23   and name HB1 ))
      2.700     0.900     0.900 peak   169 weight  0.10000E+01 volume  0.32902E-02 ppm1      7.206 ppm2      3.185 CV     1
 OR {  169}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 26   and name HB1 ))
 OR {  169}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 11   and name HE  ))
 ASSI {  170}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 7    and name HB1 ))
      2.400     0.700     0.700 peak   170 weight  0.10000E+01 volume  0.29666E-02 ppm1      7.194 ppm2      3.128 CV     1
 OR {  170}
   (( segid "B   " and resid 30   and name HH21))
   (( segid "B   " and resid 30   and name HD2 ))
 ASSI {  171}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 7    and name HB1 ))
      3.400     1.400     1.400 peak   171 weight  0.10000E+01 volume  0.19417E-02 ppm1      7.187 ppm2      3.158 CV     1
 OR {  171}
   (( segid "B   " and resid 35   and name HZ3 ))
   (( segid "B   " and resid 32   and name HD2 ))
 OR {  171}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 11   and name HE  ))
 ASSI {  175}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HA  ))
      2.700     0.900     0.900 peak   175 weight  0.10000E+01 volume  0.16181E-02 ppm1      7.338 ppm2      4.220 CV     1
 OR {  175}
   (  segid "A   " and resid 6    and name HE% )
   (( segid "A   " and resid 3    and name HA  ))
 ASSI {  179}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HA  ))
      2.700     0.900     0.900 peak   179 weight  0.10000E+01 volume  0.19957E-02 ppm1      7.243 ppm2      4.167 CV     1
 OR {  179}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HA  ))
 OR {  179}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 24   and name HA  ))
 OR {  179}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 27   and name HA  ))
 OR {  179}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "A   " and resid 8    and name HA  ))
 OR {  179}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 24   and name HA  ))
 OR {  179}
   (( segid "B   " and resid 35   and name HH2 ))
   (( segid "B   " and resid 32   and name HA  ))
 OR {  179}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 15   and name HA  ))
 OR {  179}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HA  ))
 ASSI {  181}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 35   and name HA  ))
      3.200     1.200     1.200 peak   181 weight  0.10000E+01 volume  0.27239E-02 ppm1      7.254 ppm2      4.693 CV     1
 OR {  181}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 10   and name HA  ))
 ASSI {  190}
   (  segid "B   " and resid 23   and name HE% )
   (  segid "B   " and resid 23   and name HD% )
      1.700     0.400     0.500 peak   190 weight  0.10000E+01 volume  0.45928E-01 ppm1      7.344 ppm2      7.244 CV     1
 OR {  190}
   (  segid "B   " and resid 26   and name HE% )
   (  segid "B   " and resid 26   and name HD% )
 OR {  190}
   (  segid "A   " and resid 6    and name HE% )
   (( segid "A   " and resid 6    and name HZ  ))
 ASSI {  218}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 29   and name HN  ))
      2.500     0.800     0.800 peak   218 weight  0.10000E+01 volume  0.24541E-02 ppm1      8.076 ppm2      8.243 CV     1
 OR {  218}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 22   and name HN  ))
 ASSI {  264}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 32   and name HN  ))
      3.800     1.800     1.800 peak   264 weight  0.10000E+01 volume  0.10518E-02 ppm1      8.196 ppm2      7.932 CV     1
 OR {  264}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 32   and name HN  ))
 ASSI {  265}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 4    and name HN  ))
      3.100     1.200     1.200 peak   265 weight  0.10000E+01 volume  0.88997E-03 ppm1      8.245 ppm2      7.826 CV     1
 OR {  265}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 2    and name HN  ))
 ASSI {  277}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD11))
      3.800     1.800     1.800 peak   277 weight  0.10000E+01 volume  0.11596E-02 ppm1      7.325 ppm2      0.822 CV     1
 OR {  277}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  286}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 15   and name HG21))
      3.400     1.500     1.500 peak   286 weight  0.10000E+01 volume  0.11596E-02 ppm1      7.248 ppm2      0.829 CV     1
 OR {  286}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 15   and name HD11))
 OR {  286}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  286}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  288}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 15   and name HG21))
      3.300     1.300     1.300 peak   288 weight  0.10000E+01 volume  0.13754E-02 ppm1      7.245 ppm2      0.868 CV     1
 OR {  288}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  290}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 15   and name HD11))
      3.500     1.600     1.600 peak   290 weight  0.10000E+01 volume  0.14024E-02 ppm1      7.245 ppm2      0.810 CV     1
 OR {  290}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  290}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  291}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 15   and name HG21))
      3.600     1.600     1.600 peak   291 weight  0.10000E+01 volume  0.78209E-03 ppm1      7.236 ppm2      0.892 CV     1
 OR {  291}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 14   and name HD11))
 ASSI {  301}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HA  ))
      3.800     1.800     1.800 peak   301 weight  0.10000E+01 volume  0.83602E-03 ppm1      7.300 ppm2      4.257 CV     1
 OR {  301}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "A   " and resid 11   and name HA  ))
 OR {  301}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "A   " and resid 8    and name HA  ))
 OR {  301}
   (( segid "B   " and resid 35   and name HH2 ))
   (( segid "B   " and resid 32   and name HA  ))
 OR {  301}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HA  ))
 ASSI {  302}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HA  ))
      2.900     1.100     1.100 peak   302 weight  0.10000E+01 volume  0.11327E-02 ppm1      7.295 ppm2      4.216 CV     1
 OR {  302}
   (  segid "A   " and resid 6    and name HE% )
   (( segid "A   " and resid 3    and name HA  ))
 OR {  302}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HA  ))
 OR {  302}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 24   and name HA  ))
 OR {  302}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HA  ))
 ASSI {  303}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HA  ))
      3.100     1.200     1.200 peak   303 weight  0.10000E+01 volume  0.70119E-03 ppm1      7.292 ppm2      4.146 CV     1
 OR {  303}
   (  segid "A   " and resid 6    and name HE% )
   (( segid "A   " and resid 3    and name HA  ))
 OR {  303}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 15   and name HA  ))
 ASSI {  309}
   (  segid "B   " and resid 15   and name HG1%)
   (  segid "A   " and resid 7    and name HE% )
      4.500     2.600     1.500 peak   309 weight  0.10000E+01 volume  0.56634E-03 ppm1      1.122 ppm2      7.351 CV     1
 OR {  309}
   (( segid "A   " and resid 3    and name HG2 ))
   (  segid "A   " and resid 7    and name HE% )
 ASSI {  311}
   (  segid "B   " and resid 15   and name HG1%)
   (( segid "B   " and resid 15   and name HD11))
      2.800     1.000     1.000 peak   311 weight  0.10000E+01 volume  0.18339E-02 ppm1      1.125 ppm2      0.787 CV     1
 OR {  311}
   (  segid "B   " and resid 17   and name HG1%)
   (( segid "B   " and resid 17   and name HD11))
 ASSI {  314}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 6    and name HA  ))
      3.900     1.900     1.900 peak   314 weight  0.10000E+01 volume  0.10248E-02 ppm1      7.236 ppm2      4.467 CV     1
 OR {  314}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 14   and name HA  ))
 ASSI {  316}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 13   and name HA  ))
      4.400     2.400     1.600 peak   316 weight  0.10000E+01 volume  0.80907E-03 ppm1      7.131 ppm2      4.427 CV     1
 OR {  316}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 14   and name HA  ))
 ASSI {  318}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 7    and name HB1 ))
      4.000     2.000     2.000 peak   318 weight  0.10000E+01 volume  0.70119E-03 ppm1      7.103 ppm2      3.119 CV     1
 OR {  318}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 9    and name HD1 ))
 OR {  318}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 7    and name HB1 ))
 ASSI {  335}
   (( segid "A   " and resid 3    and name HG2 ))
   (( segid "B   " and resid 15   and name HB  ))
      4.500     2.600     1.500 peak   335 weight  0.10000E+01 volume  0.78209E-03 ppm1      1.051 ppm2      1.800 CV     1
 OR {  335}
   (( segid "A   " and resid 3    and name HG2 ))
   (( segid "A   " and resid 8    and name HB2 ))
 ASSI {  343}
   (  segid "A   " and resid 4    and name HG2%)
   (( segid "B   " and resid 19   and name HA  ))
      3.700     1.700     1.700 peak   343 weight  0.10000E+01 volume  0.97087E-03 ppm1      0.957 ppm2      4.603 CV     1
 OR {  343}
   (( segid "B   " and resid 14   and name HD11))
   (( segid "B   " and resid 18   and name HA  ))
 OR {  343}
   (( segid "B   " and resid 14   and name HD11))
   (( segid "B   " and resid 19   and name HA  ))
 OR {  343}
   (  segid "A   " and resid 4    and name HG1%)
   (( segid "B   " and resid 19   and name HA  ))
 ASSI {  344}
   (( segid "B   " and resid 14   and name HD11))
   (( segid "B   " and resid 18   and name HB2 ))
      4.000     2.000     2.000 peak   344 weight  0.10000E+01 volume  0.78209E-03 ppm1      0.963 ppm2      3.269 CV     1
 OR {  344}
   (  segid "A   " and resid 4    and name HG2%)
   (( segid "A   " and resid 2    and name HB2 ))
 OR {  344}
   (( segid "B   " and resid 14   and name HD21))
   (( segid "B   " and resid 18   and name HB2 ))
 ASSI {  358}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 19   and name HB2 ))
      4.200     2.200     1.800 peak   358 weight  0.10000E+01 volume  0.59331E-03 ppm1      7.901 ppm2      2.755 CV     1
 OR {  358}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 10   and name HB2 ))
 ASSI {  364}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "A   " and resid 7    and name HB1 ))
      2.900     1.000     1.000 peak   364 weight  0.10000E+01 volume  0.10518E-02 ppm1      0.839 ppm2      3.149 CV     1
 OR {  364}
   (( segid "B   " and resid 15   and name HD11))
   (( segid "A   " and resid 7    and name HB1 ))
 OR {  364}
   (( segid "B   " and resid 17   and name HD11))
   (( segid "B   " and resid 20   and name HD2 ))
 ASSI {  365}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 19   and name HB2 ))
      3.700     1.700     1.700 peak   365 weight  0.10000E+01 volume  0.11596E-02 ppm1      1.796 ppm2      2.782 CV     1
 OR {  365}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 19   and name HB2 ))
 OR {  365}
   (( segid "A   " and resid 9    and name HB1 ))
   (( segid "A   " and resid 10   and name HB2 ))
 ASSI {  379}
   (( segid "B   " and resid 32   and name HG2 ))
   (( segid "B   " and resid 28   and name HB2 ))
      3.400     1.400     1.400 peak   379 weight  0.10000E+01 volume  0.11057E-02 ppm1      1.681 ppm2      2.087 CV     1
 OR {  379}
   (( segid "A   " and resid 3    and name HB1 ))
   (( segid "A   " and resid 4    and name HB  ))
 ASSI {  389}
   (( segid "B   " and resid 21   and name HG2 ))
   (( segid "B   " and resid 22   and name HG2 ))
      4.100     2.100     1.900 peak   389 weight  0.10000E+01 volume  0.94389E-03 ppm1      1.368 ppm2      2.169 CV     1
 OR {  389}
   (( segid "A   " and resid 8    and name HG1 ))
   (( segid "B   " and resid 22   and name HG2 ))
 ASSI {  409}
   (( segid "B   " and resid 34   and name HG2 ))
   (( segid "B   " and resid 31   and name HA  ))
      2.000     0.500     0.500 peak   409 weight  0.10000E+01 volume  0.10922E-01 ppm1      1.294 ppm2      4.219 CV     1
 OR {  409}
   (( segid "B   " and resid 34   and name HG2 ))
   (( segid "B   " and resid 34   and name HA  ))
 ASSI {  413}
   (( segid "B   " and resid 24   and name HB1 ))
   (( segid "B   " and resid 24   and name HA  ))
      2.100     0.600     0.600 peak   413 weight  0.10000E+01 volume  0.10005E-01 ppm1      1.418 ppm2      4.251 CV     1
 OR {  413}
   (( segid "B   " and resid 21   and name HG2 ))
   (( segid "B   " and resid 21   and name HA  ))
 OR {  413}
   (( segid "B   " and resid 24   and name HB1 ))
   (( segid "B   " and resid 21   and name HA  ))
 ASSI {  414}
   (( segid "B   " and resid 24   and name HB1 ))
   (( segid "B   " and resid 24   and name HA  ))
      2.400     0.700     0.700 peak   414 weight  0.10000E+01 volume  0.69038E-02 ppm1      1.419 ppm2      4.174 CV     1
 OR {  414}
   (( segid "B   " and resid 31   and name HB1 ))
   (( segid "B   " and resid 31   and name HA  ))
 OR {  414}
   (( segid "B   " and resid 25   and name HG2 ))
   (( segid "B   " and resid 25   and name HA  ))
 ASSI {  415}
   (( segid "B   " and resid 24   and name HB1 ))
   (( segid "B   " and resid 24   and name HA  ))
      2.500     0.800     0.800 peak   415 weight  0.10000E+01 volume  0.51509E-02 ppm1      1.419 ppm2      4.210 CV     1
 OR {  415}
   (( segid "B   " and resid 31   and name HB1 ))
   (( segid "B   " and resid 31   and name HA  ))
 OR {  415}
   (( segid "B   " and resid 21   and name HG2 ))
   (( segid "B   " and resid 21   and name HA  ))
 OR {  415}
   (( segid "B   " and resid 25   and name HG2 ))
   (( segid "B   " and resid 25   and name HA  ))
 ASSI {  418}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 26   and name HB1 ))
      3.200     1.300     1.300 peak   418 weight  0.10000E+01 volume  0.13215E-02 ppm1      7.293 ppm2      3.183 CV     1
 OR {  418}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 18   and name HB1 ))
 OR {  418}
   (( segid "B   " and resid 35   and name HH2 ))
   (( segid "B   " and resid 32   and name HD2 ))
 OR {  418}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HD2 ))
 ASSI {  424}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 27   and name HB1 ))
      4.000     2.000     2.000 peak   424 weight  0.10000E+01 volume  0.97087E-03 ppm1      7.335 ppm2      1.907 CV     1
 OR {  424}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 11   and name HB2 ))
 OR {  424}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HB1 ))
 OR {  424}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 20   and name HB2 ))
 ASSI {  426}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 25   and name HD1 ))
      3.000     1.200     1.200 peak   426 weight  0.10000E+01 volume  0.11866E-02 ppm1      7.292 ppm2      1.593 CV     1
 OR {  426}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 14   and name HG  ))
 OR {  426}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 30   and name HG2 ))
 OR {  426}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HG2 ))
 OR {  426}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HG2 ))
 ASSI {  446}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 19   and name HB2 ))
      4.100     2.100     1.900 peak   446 weight  0.10000E+01 volume  0.72814E-03 ppm1      8.011 ppm2      2.762 CV     1
 OR {  446}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 10   and name HB2 ))
 OR {  446}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 10   and name HB2 ))
 ASSI {  447}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 23   and name HB2 ))
      4.000     2.000     2.000 peak   447 weight  0.10000E+01 volume  0.83602E-03 ppm1      7.994 ppm2      3.048 CV     1
 OR {  447}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 6    and name HB1 ))
 ASSI {  450}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HE  ))
      4.100     2.100     1.900 peak   450 weight  0.10000E+01 volume  0.70119E-03 ppm1      8.258 ppm2      3.252 CV     1
 OR {  450}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 18   and name HB1 ))
 OR {  450}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HD2 ))
 OR {  450}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 18   and name HB1 ))
 OR {  450}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 18   and name HB2 ))
 ASSI {  451}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 23   and name HB1 ))
      3.600     1.600     1.600 peak   451 weight  0.10000E+01 volume  0.83602E-03 ppm1      8.019 ppm2      3.227 CV     1
 OR {  451}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 18   and name HB1 ))
 ASSI {  452}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HD2 ))
      3.600     1.600     1.600 peak   452 weight  0.10000E+01 volume  0.14833E-02 ppm1      7.938 ppm2      3.158 CV     1
 OR {  452}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
 OR {  452}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 32   and name HD2 ))
 OR {  452}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "A   " and resid 11   and name HE  ))
 ASSI {  457}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 17   and name HG21))
      3.600     1.600     1.600 peak   457 weight  0.10000E+01 volume  0.12675E-02 ppm1      8.017 ppm2      0.863 CV     1
 OR {  457}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  459}
   (( segid "B   " and resid 17   and name HN  ))
   (  segid "B   " and resid 17   and name HG1%)
      4.400     2.400     1.600 peak   459 weight  0.10000E+01 volume  0.59331E-03 ppm1      8.017 ppm2      1.188 CV     1
 OR {  459}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 16   and name HG21))
 OR {  459}
   (( segid "A   " and resid 8    and name HN  ))
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {   18}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 7    and name HA  ))
      2.200     0.600     0.600 peak    18 weight  0.10000E+01 volume  0.77022E-02 ppm1      7.243 ppm2      4.549 CV     1
 OR {   18}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 23   and name HA  ))
 OR {   18}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 26   and name HA  ))
 ASSI {   20}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 36   and name HA  ))
      3.700     1.700     1.700 peak    20 weight  0.10000E+01 volume  0.64833E-03 ppm1      7.243 ppm2      4.486 CV     1
 OR {   20}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HA  ))
 ASSI {   53}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 27   and name HG1 ))
      3.300     1.400     1.400 peak    53 weight  0.10000E+01 volume  0.88172E-03 ppm1      7.361 ppm2      2.425 CV     1
 OR {   53}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HG1 ))
 ASSI {   58}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 27   and name HB1 ))
      4.200     2.200     1.800 peak    58 weight  0.10000E+01 volume  0.63536E-03 ppm1      7.360 ppm2      1.973 CV     1
 OR {   58}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {   61}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 30   and name HB2 ))
      3.800     1.800     1.800 peak    61 weight  0.10000E+01 volume  0.11670E-02 ppm1      7.358 ppm2      1.819 CV     1
 OR {   61}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 15   and name HB  ))
 ASSI {   68}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 24   and name HB1 ))
      3.600     1.600     1.600 peak    68 weight  0.10000E+01 volume  0.14522E-02 ppm1      7.359 ppm2      1.394 CV     1
 OR {   68}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 12   and name HG2 ))
 OR {   68}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 31   and name HB1 ))
 OR {   68}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 24   and name HB1 ))
 ASSI {   85}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 18   and name HB1 ))
      3.200     1.300     1.300 peak    85 weight  0.10000E+01 volume  0.18153E-02 ppm1      7.321 ppm2      3.192 CV     1
 OR {   85}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 11   and name HE  ))
 OR {   85}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 23   and name HB1 ))
 OR {   85}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 26   and name HB1 ))
 OR {   85}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HD2 ))
 ASSI {   86}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 7    and name HB1 ))
      3.900     1.900     1.900 peak    86 weight  0.10000E+01 volume  0.11670E-02 ppm1      7.323 ppm2      3.128 CV     1
 OR {   86}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 26   and name HB2 ))
 OR {   86}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 26   and name HB1 ))
 OR {   86}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HD2 ))
 ASSI {   92}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 27   and name HB2 ))
      3.500     1.500     1.500 peak    92 weight  0.10000E+01 volume  0.20228E-02 ppm1      7.324 ppm2      2.049 CV     1
 OR {   92}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HB2 ))
 OR {   92}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 4    and name HB  ))
 ASSI {   93}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 22   and name HB2 ))
      4.100     2.100     1.900 peak    93 weight  0.10000E+01 volume  0.66130E-03 ppm1      7.324 ppm2      1.982 CV     1
 OR {   93}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 27   and name HB1 ))
 OR {   93}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 27   and name HB2 ))
 OR {   93}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HB2 ))
 ASSI {   94}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 27   and name HB1 ))
      3.700     1.700     1.700 peak    94 weight  0.10000E+01 volume  0.15430E-02 ppm1      7.326 ppm2      1.917 CV     1
 OR {   94}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HB1 ))
 OR {   94}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 11   and name HB1 ))
 OR {   94}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 20   and name HB2 ))
 ASSI {   95}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 30   and name HB2 ))
      3.300     1.300     1.300 peak    95 weight  0.10000E+01 volume  0.11670E-02 ppm1      7.324 ppm2      1.742 CV     1
 OR {   95}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 30   and name HB1 ))
 OR {   95}
   (  segid "A   " and resid 6    and name HE% )
   (( segid "A   " and resid 3    and name HB2 ))
 ASSI {   96}
   (  segid "A   " and resid 6    and name HE% )
   (( segid "A   " and resid 3    and name HB2 ))
      3.000     1.100     1.100 peak    96 weight  0.10000E+01 volume  0.16078E-02 ppm1      7.322 ppm2      1.695 CV     1
 OR {   96}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 21   and name HD2 ))
 OR {   96}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 12   and name HD2 ))
 ASSI {   97}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HB2 ))
      3.200     1.300     1.300 peak    97 weight  0.10000E+01 volume  0.18153E-02 ppm1      7.324 ppm2      1.638 CV     1
 OR {   97}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 25   and name HD2 ))
 OR {   97}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HG1 ))
 OR {   97}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HG  ))
 OR {   97}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 11   and name HG1 ))
 ASSI {   98}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 30   and name HG1 ))
      3.400     1.400     1.400 peak    98 weight  0.10000E+01 volume  0.11929E-02 ppm1      7.323 ppm2      1.602 CV     1
 OR {   98}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HB2 ))
 OR {   98}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 25   and name HD2 ))
 OR {   98}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HG1 ))
 OR {   98}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HG  ))
 ASSI {   99}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 30   and name HG1 ))
      3.500     1.500     1.500 peak    99 weight  0.10000E+01 volume  0.94655E-03 ppm1      7.322 ppm2      1.542 CV     1
 OR {   99}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 3    and name HD1 ))
 ASSI {  100}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 24   and name HB1 ))
      3.600     1.600     1.600 peak   100 weight  0.10000E+01 volume  0.13096E-02 ppm1      7.324 ppm2      1.439 CV     1
 OR {  100}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 12   and name HG2 ))
 OR {  100}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 24   and name HB1 ))
 ASSI {  101}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 21   and name HG1 ))
      3.800     1.800     1.800 peak   101 weight  0.10000E+01 volume  0.11929E-02 ppm1      7.320 ppm2      1.399 CV     1
 OR {  101}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 24   and name HB1 ))
 OR {  101}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "A   " and resid 8    and name HG1 ))
 OR {  101}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 12   and name HG2 ))
 OR {  101}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 31   and name HB1 ))
 OR {  101}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 24   and name HB1 ))
 ASSI {  102}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "A   " and resid 8    and name HG1 ))
      4.400     2.400     1.600 peak   102 weight  0.10000E+01 volume  0.88172E-03 ppm1      7.325 ppm2      1.316 CV     1
 OR {  102}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 8    and name HG1 ))
 ASSI {  105}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HG21))
      3.700     1.800     1.800 peak   105 weight  0.10000E+01 volume  0.14782E-02 ppm1      7.322 ppm2      0.885 CV     1
 OR {  105}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HD11))
 OR {  105}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  107}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 18   and name HB1 ))
      3.500     1.500     1.500 peak   107 weight  0.10000E+01 volume  0.11021E-02 ppm1      7.316 ppm2      3.215 CV     1
 OR {  107}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 11   and name HE  ))
 OR {  107}
   (( segid "B   " and resid 35   and name HH2 ))
   (( segid "B   " and resid 32   and name HD2 ))
 OR {  107}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 23   and name HB1 ))
 OR {  107}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HD2 ))
 ASSI {  109}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 30   and name HB2 ))
      3.500     1.600     1.600 peak   109 weight  0.10000E+01 volume  0.12318E-02 ppm1      7.319 ppm2      1.768 CV     1
 OR {  109}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 30   and name HB1 ))
 OR {  109}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 15   and name HB  ))
 OR {  109}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HB  ))
 ASSI {  115}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HG21))
      3.900     1.900     1.900 peak   115 weight  0.10000E+01 volume  0.13355E-02 ppm1      7.318 ppm2      0.846 CV     1
 OR {  115}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  115}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  118}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 30   and name HB2 ))
      3.700     1.700     1.700 peak   118 weight  0.10000E+01 volume  0.11151E-02 ppm1      7.312 ppm2      1.829 CV     1
 OR {  118}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "A   " and resid 8    and name HB1 ))
 OR {  118}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HB  ))
 OR {  118}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "B   " and resid 15   and name HB  ))
 ASSI {  122}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 23   and name HB1 ))
      2.700     0.900     0.900 peak   122 weight  0.10000E+01 volume  0.33064E-02 ppm1      7.261 ppm2      3.190 CV     1
 OR {  122}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 26   and name HB1 ))
 OR {  122}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 18   and name HB1 ))
 OR {  122}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 11   and name HE  ))
 ASSI {  137}
   (( segid "A   " and resid 2    and name HH2 ))
   (  segid "B   " and resid 15   and name HG1%)
      3.500     1.500     1.500 peak   137 weight  0.10000E+01 volume  0.72613E-03 ppm1      7.265 ppm2      1.142 CV     1
 OR {  137}
   (  segid "A   " and resid 7    and name HD% )
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  139}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 23   and name HB2 ))
      3.300     1.300     1.300 peak   139 weight  0.10000E+01 volume  0.10762E-02 ppm1      7.261 ppm2      3.036 CV     1
 OR {  139}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 7    and name HB2 ))
 ASSI {  200}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 26   and name HB2 ))
      1.900     0.500     0.500 peak   200 weight  0.10000E+01 volume  0.18127E-01 ppm1      4.549 ppm2      3.119 CV     1
 OR {  200}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 23   and name HB2 ))
 OR {  200}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 26   and name HB1 ))
 ASSI {  211}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 6    and name HB1 ))
      2.200     0.600     0.600 peak   211 weight  0.10000E+01 volume  0.10710E-01 ppm1      4.542 ppm2      2.987 CV     1
 OR {  211}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
 ASSI {  221}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 12   and name HB2 ))
      4.200     2.200     1.800 peak   221 weight  0.10000E+01 volume  0.73909E-03 ppm1      4.443 ppm2      1.918 CV     1
 OR {  221}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "A   " and resid 11   and name HB1 ))
 ASSI {  222}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 14   and name HB2 ))
      2.800     1.000     1.000 peak   222 weight  0.10000E+01 volume  0.28655E-02 ppm1      4.439 ppm2      1.617 CV     1
 OR {  222}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 13   and name HB2 ))
 OR {  222}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 13   and name HG  ))
 ASSI {  225}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 14   and name HB2 ))
      3.400     1.400     1.400 peak   225 weight  0.10000E+01 volume  0.93358E-03 ppm1      4.402 ppm2      1.640 CV     1
 OR {  225}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 13   and name HB2 ))
 ASSI {  270}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 8    and name HE2 ))
      2.900     1.100     1.100 peak   270 weight  0.10000E+01 volume  0.40975E-02 ppm1      4.228 ppm2      2.996 CV     1
 OR {  270}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
 OR {  270}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 8    and name HE2 ))
 OR {  270}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
 ASSI {  271}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 20   and name HG1 ))
      2.000     0.500     0.500 peak   271 weight  0.10000E+01 volume  0.23832E-01 ppm1      4.226 ppm2      1.693 CV     1
 OR {  271}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 3    and name HB2 ))
 OR {  271}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 9    and name HB2 ))
 OR {  271}
   (( segid "B   " and resid 34   and name HA  ))
   (( segid "B   " and resid 34   and name HB2 ))
 ASSI {  273}
   (( segid "B   " and resid 16   and name HB  ))
   (( segid "B   " and resid 16   and name HG21))
      3.500     1.500     1.500 peak   273 weight  0.10000E+01 volume  0.71316E-03 ppm1      4.224 ppm2      1.158 CV     1
 OR {  273}
   (( segid "B   " and resid 15   and name HA  ))
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  275}
   (( segid "B   " and resid 15   and name HA  ))
   (( segid "A   " and resid 3    and name HE1 ))
      4.500     2.600     1.500 peak   275 weight  0.10000E+01 volume  0.67426E-03 ppm1      4.216 ppm2      2.890 CV     1
 OR {  275}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 3    and name HE1 ))
 OR {  275}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 10   and name HB1 ))
 ASSI {  276}
   (( segid "B   " and resid 30   and name HA  ))
   (( segid "B   " and resid 30   and name HG1 ))
      3.100     1.200     1.200 peak   276 weight  0.10000E+01 volume  0.17505E-02 ppm1      4.221 ppm2      1.564 CV     1
 OR {  276}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 9    and name HG1 ))
 OR {  276}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 3    and name HD1 ))
 ASSI {  285}
   (( segid "B   " and resid 27   and name HA  ))
   (( segid "B   " and resid 27   and name HB1 ))
      3.500     1.500     1.500 peak   285 weight  0.10000E+01 volume  0.10373E-02 ppm1      4.192 ppm2      1.973 CV     1
 OR {  285}
   (( segid "B   " and resid 22   and name HA  ))
   (( segid "B   " and resid 22   and name HB2 ))
 OR {  285}
   (( segid "B   " and resid 24   and name HA  ))
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {  287}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
      2.800     1.000     1.000 peak   287 weight  0.10000E+01 volume  0.49661E-02 ppm1      4.182 ppm2      2.993 CV     1
 OR {  287}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 8    and name HE2 ))
 OR {  287}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
 OR {  287}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 6    and name HB1 ))
 ASSI {  294}
   (( segid "B   " and resid 27   and name HA  ))
   (( segid "B   " and resid 27   and name HB1 ))
      3.500     1.500     1.500 peak   294 weight  0.10000E+01 volume  0.10503E-02 ppm1      4.162 ppm2      1.971 CV     1
 OR {  294}
   (( segid "B   " and resid 24   and name HA  ))
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {  295}
   (( segid "B   " and resid 28   and name HA  ))
   (( segid "B   " and resid 28   and name HB1 ))
      3.500     1.500     1.500 peak   295 weight  0.10000E+01 volume  0.79096E-03 ppm1      4.155 ppm2      2.105 CV     1
 OR {  295}
   (( segid "B   " and resid 29   and name HA  ))
   (( segid "B   " and resid 29   and name HB2 ))
 ASSI {  309}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 17   and name HB  ))
      3.500     1.500     1.500 peak   309 weight  0.10000E+01 volume  0.66130E-03 ppm1      4.031 ppm2      1.836 CV     1
 OR {  309}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 8    and name HB1 ))
 ASSI {  311}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 8    and name HB1 ))
      4.500     2.600     1.500 peak   311 weight  0.10000E+01 volume  0.71316E-03 ppm1      4.027 ppm2      1.782 CV     1
 OR {  311}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 15   and name HB  ))
 OR {  311}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "B   " and resid 15   and name HB  ))
 ASSI {  336}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 21   and name HD2 ))
      3.700     1.700     1.700 peak   336 weight  0.10000E+01 volume  0.90765E-03 ppm1      3.303 ppm2      1.686 CV     1
 OR {  336}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 3    and name HB2 ))
 ASSI {  344}
   (( segid "B   " and resid 12   and name HE2 ))
   (  segid "B   " and resid 15   and name HG1%)
      4.100     2.100     1.900 peak   344 weight  0.10000E+01 volume  0.75206E-03 ppm1      3.008 ppm2      1.147 CV     1
 OR {  344}
   (( segid "A   " and resid 7    and name HB2 ))
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  347}
   (( segid "A   " and resid 10   and name HB1 ))
   (( segid "A   " and resid 11   and name HB1 ))
      3.500     1.500     1.500 peak   347 weight  0.10000E+01 volume  0.24117E-02 ppm1      2.881 ppm2      1.917 CV     1
 OR {  347}
   (( segid "A   " and resid 3    and name HE1 ))
   (( segid "B   " and resid 12   and name HB2 ))
 ASSI {  357}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 13   and name HD11))
      2.500     0.800     0.800 peak   357 weight  0.10000E+01 volume  0.24766E-02 ppm1      4.433 ppm2      0.916 CV     1
 OR {  357}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 14   and name HD11))
 ASSI {  359}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 17   and name HG21))
      4.300     2.300     1.700 peak   359 weight  0.10000E+01 volume  0.68723E-03 ppm1      4.414 ppm2      0.840 CV     1
 OR {  359}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  359}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  359}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  359}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 17   and name HG21))
 OR {  359}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  359}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  363}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
      4.100     2.100     1.900 peak   363 weight  0.10000E+01 volume  0.86875E-03 ppm1      4.371 ppm2      0.839 CV     1
 OR {  363}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  363}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 17   and name HG21))
 OR {  363}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  363}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  366}
   (( segid "A   " and resid 4    and name HA  ))
   (  segid "A   " and resid 4    and name HG2%)
      1.600     1.600     4.400 peak   366 weight  0.10000E+01 volume  0.29253E-01 ppm1      4.028 ppm2      0.946 CV     1
 OR {  366}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 14   and name HD21))
 OR {  366}
   (( segid "A   " and resid 4    and name HA  ))
   (  segid "A   " and resid 4    and name HG1%)
 ASSI {  387}
   (( segid "A   " and resid 11   and name HE  ))
   (( segid "B   " and resid 15   and name HG21))
      3.600     1.600     1.600 peak   387 weight  0.10000E+01 volume  0.10632E-02 ppm1      3.176 ppm2      0.915 CV     1
 OR {  387}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 17   and name HG21))
 OR {  387}
   (( segid "A   " and resid 11   and name HD1 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  395}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 13   and name HD11))
      3.700     1.700     1.700 peak   395 weight  0.10000E+01 volume  0.10762E-02 ppm1      3.013 ppm2      0.882 CV     1
 OR {  395}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  396}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 13   and name HD11))
      3.800     1.800     1.800 peak   396 weight  0.10000E+01 volume  0.10373E-02 ppm1      3.004 ppm2      0.917 CV     1
 OR {  396}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  396}
   (( segid "A   " and resid 7    and name HB2 ))
   (  segid "A   " and resid 4    and name HG1%)
 ASSI {  405}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 34   and name HD1 ))
      3.800     1.800     1.800 peak   405 weight  0.10000E+01 volume  0.15171E-02 ppm1      4.706 ppm2      1.668 CV     1
 OR {  405}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 11   and name HG1 ))
 ASSI {  430}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 16   and name HB  ))
      3.100     1.200     1.200 peak   430 weight  0.10000E+01 volume  0.17634E-02 ppm1      4.407 ppm2      4.177 CV     1
 OR {  430}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 16   and name HB  ))
 ASSI {  436}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 6    and name HB1 ))
      4.000     2.000     2.000 peak   436 weight  0.10000E+01 volume  0.82986E-03 ppm1      4.706 ppm2      2.999 CV     1
 OR {  436}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
 ASSI {  445}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 3    and name HA  ))
      3.800     1.800     1.800 peak   445 weight  0.10000E+01 volume  0.60943E-03 ppm1      7.106 ppm2      4.229 CV     1
 OR {  445}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 3    and name HA  ))
 ASSI {  473}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 15   and name HG21))
      4.500     2.500     1.500 peak   473 weight  0.10000E+01 volume  0.47975E-03 ppm1      7.112 ppm2      0.887 CV     1
 OR {  473}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 14   and name HD11))
 ASSI {  507}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 4    and name HA  ))
      4.400     2.400     1.600 peak   507 weight  0.10000E+01 volume  0.62240E-03 ppm1      7.326 ppm2      4.028 CV     1
 OR {  507}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 17   and name HA  ))
 OR {  507}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "A   " and resid 4    and name HA  ))
 ASSI {  516}
   (( segid "A   " and resid 11   and name HE  ))
   (  segid "B   " and resid 15   and name HG1%)
      3.900     1.900     1.900 peak   516 weight  0.10000E+01 volume  0.75206E-03 ppm1      3.208 ppm2      1.144 CV     1
 OR {  516}
   (( segid "B   " and resid 18   and name HB1 ))
   (  segid "B   " and resid 17   and name HG1%)
 OR {  516}
   (( segid "A   " and resid 11   and name HD1 ))
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  525}
   (  segid "A   " and resid 7    and name HD% )
   (  segid "B   " and resid 15   and name HG1%)
      3.900     1.900     1.900 peak   525 weight  0.10000E+01 volume  0.40195E-03 ppm1      7.195 ppm2      1.121 CV     1
 OR {  525}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 3    and name HG2 ))
 ASSI {  527}
   (( segid "A   " and resid 2    and name HH2 ))
   (  segid "B   " and resid 15   and name HG1%)
      3.900     1.900     1.900 peak   527 weight  0.10000E+01 volume  0.37602E-03 ppm1      7.307 ppm2      1.187 CV     1
 OR {  527}
   (( segid "B   " and resid 18   and name HD1 ))
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  528}
   (( segid "B   " and resid 18   and name HD1 ))
   (  segid "B   " and resid 15   and name HG1%)
      4.800     2.900     1.200 peak   528 weight  0.10000E+01 volume  0.36305E-03 ppm1      7.337 ppm2      1.190 CV     1
 OR {  528}
   (  segid "A   " and resid 7    and name HE% )
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  536}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 8    and name HG1 ))
      4.600     2.700     1.400 peak   536 weight  0.10000E+01 volume  0.36305E-03 ppm1      7.143 ppm2      1.339 CV     1
 OR {  536}
   (( segid "B   " and resid 35   and name HZ3 ))
   (( segid "B   " and resid 31   and name HB1 ))
 ASSI {  541}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 12   and name HG2 ))
      4.500     2.500     1.500 peak   541 weight  0.10000E+01 volume  0.31119E-03 ppm1      7.142 ppm2      1.396 CV     1
 OR {  541}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 8    and name HG1 ))
 ASSI {  543}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 15   and name HB  ))
      4.800     2.800     1.200 peak   543 weight  0.10000E+01 volume  0.47975E-03 ppm1      7.143 ppm2      1.773 CV     1
 OR {  543}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 8    and name HB1 ))
 ASSI {  546}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 1    and name HB2 ))
      4.400     2.500     1.600 peak   546 weight  0.10000E+01 volume  0.37602E-03 ppm1      7.143 ppm2      1.862 CV     1
 OR {  546}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 15   and name HB  ))
 OR {  546}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 12   and name HB2 ))
 ASSI {  547}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 1    and name HB2 ))
      3.900     1.900     1.900 peak   547 weight  0.10000E+01 volume  0.55757E-03 ppm1      7.111 ppm2      1.887 CV     1
 OR {  547}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 12   and name HB2 ))
 ASSI {  548}
   (( segid "A   " and resid 2    and name HZ2 ))
   (( segid "B   " and resid 15   and name HB  ))
      4.000     2.000     2.000 peak   548 weight  0.10000E+01 volume  0.38898E-03 ppm1      7.509 ppm2      1.828 CV     1
 OR {  548}
   (( segid "A   " and resid 2    and name HZ2 ))
   (( segid "A   " and resid 8    and name HB1 ))
 ASSI {  551}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "B   " and resid 14   and name HG  ))
      4.900     3.000     1.100 peak   551 weight  0.10000E+01 volume  0.36305E-03 ppm1      7.595 ppm2      1.644 CV     1
 OR {  551}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 8    and name HD1 ))
 ASSI {  554}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 3    and name HB2 ))
      4.500     2.600     1.500 peak   554 weight  0.10000E+01 volume  0.38898E-03 ppm1      7.832 ppm2      1.693 CV     1
 OR {  554}
   (( segid "A   " and resid 2    and name HN  ))
   (( segid "A   " and resid 3    and name HB2 ))
 ASSI {  555}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "B   " and resid 12   and name HG2 ))
      4.600     2.700     1.400 peak   555 weight  0.10000E+01 volume  0.38898E-03 ppm1      7.601 ppm2      1.400 CV     1
 OR {  555}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 8    and name HG1 ))
 ASSI {  557}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 3    and name HG2 ))
      3.600     1.700     1.700 peak   557 weight  0.10000E+01 volume  0.27229E-03 ppm1      7.600 ppm2      1.115 CV     1
 OR {  557}
   (( segid "A   " and resid 2    and name HE3 ))
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  558}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "B   " and resid 15   and name HB  ))
      5.300     3.600     0.700 peak   558 weight  0.10000E+01 volume  0.33712E-03 ppm1      7.594 ppm2      1.822 CV     1
 OR {  558}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 8    and name HB1 ))
 ASSI {  565}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HG2 ))
      3.800     1.800     1.800 peak   565 weight  0.10000E+01 volume  0.42788E-03 ppm1      7.327 ppm2      2.220 CV     1
 OR {  565}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 27   and name HG2 ))
 ASSI {  573}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HG1 ))
      4.500     2.500     1.500 peak   573 weight  0.10000E+01 volume  0.42788E-03 ppm1      7.310 ppm2      2.360 CV     1
 OR {  573}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "A   " and resid 1    and name HG2 ))
 ASSI {  580}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 19   and name HB2 ))
      4.100     2.100     1.900 peak   580 weight  0.10000E+01 volume  0.45381E-03 ppm1      7.273 ppm2      2.738 CV     1
 OR {  580}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 10   and name HB2 ))
 OR {  580}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 19   and name HB1 ))
 ASSI {  583}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 7    and name HB1 ))
      4.400     2.500     1.600 peak   583 weight  0.10000E+01 volume  0.41492E-03 ppm1      7.151 ppm2      3.166 CV     1
 OR {  583}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 9    and name HD2 ))
 OR {  583}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 9    and name HD1 ))
 OR {  583}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 7    and name HB1 ))
 OR {  583}
   (( segid "B   " and resid 35   and name HZ3 ))
   (( segid "B   " and resid 32   and name HD2 ))
 ASSI {  585}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 2    and name HB2 ))
      4.900     3.000     1.100 peak   585 weight  0.10000E+01 volume  0.44085E-03 ppm1      7.147 ppm2      3.233 CV     1
 OR {  585}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 9    and name HD2 ))
 OR {  585}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 11   and name HE  ))
 ASSI {  588}
   (( segid "B   " and resid 35   and name HZ3 ))
   (( segid "B   " and resid 35   and name HB2 ))
      3.400     3.400     2.600 peak   588 weight  0.10000E+01 volume  0.45381E-03 ppm1      7.180 ppm2      3.345 CV     1
 OR {  588}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 18   and name HB2 ))
 ASSI {  599}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 3    and name HB2 ))
      4.400     2.400     1.600 peak   599 weight  0.10000E+01 volume  0.50568E-03 ppm1      7.177 ppm2      1.732 CV     1
 OR {  599}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 12   and name HD2 ))
 ASSI {  612}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HA  ))
      4.300     2.300     1.700 peak   612 weight  0.10000E+01 volume  0.49271E-03 ppm1      7.267 ppm2      4.428 CV     1
 OR {  612}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 13   and name HA  ))
 OR {  612}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 16   and name HA  ))
 OR {  612}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 14   and name HA  ))
 ASSI {  613}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 16   and name HA  ))
      4.700     2.700     1.300 peak   613 weight  0.10000E+01 volume  0.37602E-03 ppm1      7.265 ppm2      4.362 CV     1
 OR {  613}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 16   and name HA  ))
 ASSI {  614}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HA  ))
      4.200     2.200     1.800 peak   614 weight  0.10000E+01 volume  0.36305E-03 ppm1      7.314 ppm2      4.461 CV     1
 OR {  614}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 13   and name HA  ))
 ASSI {  615}
   (  segid "A   " and resid 6    and name HE% )
   (( segid "A   " and resid 6    and name HA  ))
      3.300     3.300     2.700 peak   615 weight  0.10000E+01 volume  0.33712E-03 ppm1      7.367 ppm2      4.491 CV     1
 OR {  615}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 6    and name HA  ))
 ASSI {  618}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 19   and name HA  ))
      4.000     2.000     2.000 peak   618 weight  0.10000E+01 volume  0.42788E-03 ppm1      7.258 ppm2      4.642 CV     1
 OR {  618}
   (( segid "A   " and resid 2    and name HD1 ))
   (( segid "A   " and resid 2    and name HA  ))
 OR {  618}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 35   and name HA  ))
 ASSI {  621}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 3    and name HA  ))
      4.600     2.700     1.400 peak   621 weight  0.10000E+01 volume  0.40195E-03 ppm1      7.596 ppm2      4.212 CV     1
 OR {  621}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 1    and name HA  ))
 ASSI {  623}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 10   and name HB1 ))
      4.300     2.300     1.700 peak   623 weight  0.10000E+01 volume  0.58350E-03 ppm1      4.223 ppm2      2.831 CV     1
 OR {  623}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 10   and name HB1 ))
 ASSI {  624}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 10   and name HB1 ))
      4.500     2.500     1.500 peak   624 weight  0.10000E+01 volume  0.40195E-03 ppm1      4.180 ppm2      2.832 CV     1
 OR {  624}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 10   and name HB1 ))
 ASSI {  635}
   (( segid "B   " and resid 15   and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
      2.700     0.900     0.900 peak   635 weight  0.10000E+01 volume  0.13744E-02 ppm1      4.190 ppm2      0.867 CV     1
 OR {  635}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  636}
   (( segid "B   " and resid 15   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
      3.700     1.700     1.700 peak   636 weight  0.10000E+01 volume  0.57053E-03 ppm1      4.204 ppm2      0.808 CV     1
 OR {  636}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  656}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 7    and name HB1 ))
      3.100     1.200     1.200 peak   656 weight  0.10000E+01 volume  0.41492E-03 ppm1      4.029 ppm2      3.165 CV     1
 OR {  656}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 20   and name HD2 ))
 ASSI {  657}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 20   and name HD2 ))
      3.700     1.700     1.700 peak   657 weight  0.10000E+01 volume  0.44085E-03 ppm1      4.033 ppm2      3.198 CV     1
 OR {  657}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 18   and name HB1 ))
 ASSI {  659}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 26   and name HB1 ))
      3.000     1.100     1.100 peak   659 weight  0.10000E+01 volume  0.19839E-02 ppm1      4.560 ppm2      3.193 CV     1
 OR {  659}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 23   and name HB1 ))
 OR {  659}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 9    and name HD1 ))
 ASSI {  660}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 26   and name HB2 ))
      3.000     1.100     1.100 peak   660 weight  0.10000E+01 volume  0.11540E-02 ppm1      4.563 ppm2      3.072 CV     1
 OR {  660}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 23   and name HB2 ))
 ASSI {  665}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 17   and name HG21))
      4.500     2.500     1.500 peak   665 weight  0.10000E+01 volume  0.37602E-03 ppm1      3.330 ppm2      0.835 CV     1
 OR {  665}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 17   and name HD11))
 OR {  665}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  666}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 14   and name HD11))
      4.400     2.500     1.600 peak   666 weight  0.10000E+01 volume  0.51864E-03 ppm1      3.311 ppm2      0.920 CV     1
 OR {  666}
   (( segid "A   " and resid 2    and name HB2 ))
   (  segid "A   " and resid 4    and name HG1%)
 ASSI {  667}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 17   and name HG21))
      4.200     2.200     1.800 peak   667 weight  0.10000E+01 volume  0.44085E-03 ppm1      3.311 ppm2      0.897 CV     1
 OR {  667}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 14   and name HD11))
 ASSI {  668}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 17   and name HG21))
      4.200     2.200     1.800 peak   668 weight  0.10000E+01 volume  0.44085E-03 ppm1      3.263 ppm2      0.903 CV     1
 OR {  668}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 14   and name HD11))
 OR {  668}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 17   and name HG21))
 OR {  668}
   (( segid "A   " and resid 2    and name HB2 ))
   (  segid "A   " and resid 4    and name HG1%)
 ASSI {  671}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "B   " and resid 15   and name HG21))
      3.300     1.400     1.400 peak   671 weight  0.10000E+01 volume  0.50568E-03 ppm1      3.091 ppm2      0.909 CV     1
 OR {  671}
   (( segid "A   " and resid 7    and name HB1 ))
   (  segid "A   " and resid 4    and name HG1%)
 ASSI {  672}
   (( segid "A   " and resid 3    and name HE1 ))
   (( segid "B   " and resid 15   and name HG21))
      5.000     3.100     1.000 peak   672 weight  0.10000E+01 volume  0.45381E-03 ppm1      2.891 ppm2      0.857 CV     1
 OR {  672}
   (( segid "A   " and resid 10   and name HB1 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  676}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 12   and name HG2 ))
      2.300     0.600     0.600 peak   676 weight  0.10000E+01 volume  0.56663E-02 ppm1      2.998 ppm2      1.393 CV     1
 OR {  676}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 8    and name HG1 ))
 ASSI {  680}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 25   and name HG2 ))
      3.300     1.400     1.400 peak   680 weight  0.10000E+01 volume  0.16078E-02 ppm1      3.170 ppm2      1.437 CV     1
 OR {  680}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 24   and name HB1 ))
 OR {  680}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  682}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 34   and name HG2 ))
      3.500     1.500     1.500 peak   682 weight  0.10000E+01 volume  0.12966E-02 ppm1      3.173 ppm2      1.312 CV     1
 OR {  682}
   (( segid "A   " and resid 11   and name HE  ))
   (( segid "A   " and resid 8    and name HG1 ))
 ASSI {  683}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "A   " and resid 8    and name HG1 ))
      3.800     1.800     1.800 peak   683 weight  0.10000E+01 volume  0.63536E-03 ppm1      3.148 ppm2      1.341 CV     1
 OR {  683}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 31   and name HB1 ))
 OR {  683}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 34   and name HG2 ))
 OR {  683}
   (( segid "B   " and resid 30   and name HD2 ))
   (( segid "B   " and resid 31   and name HB1 ))
 ASSI {  684}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 31   and name HB1 ))
      3.200     1.300     1.300 peak   684 weight  0.10000E+01 volume  0.16986E-02 ppm1      3.202 ppm2      1.392 CV     1
 OR {  684}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 25   and name HG2 ))
 OR {  684}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 24   and name HB1 ))
 OR {  684}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 21   and name HG1 ))
 ASSI {  686}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 31   and name HB1 ))
      3.500     1.500     1.500 peak   686 weight  0.10000E+01 volume  0.10114E-02 ppm1      3.206 ppm2      1.352 CV     1
 OR {  686}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 21   and name HG1 ))
 OR {  686}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 34   and name HG2 ))
 ASSI {  687}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 25   and name HG2 ))
      4.700     2.700     1.300 peak   687 weight  0.10000E+01 volume  0.47975E-03 ppm1      3.081 ppm2      1.456 CV     1
 OR {  687}
   (( segid "B   " and resid 23   and name HB2 ))
   (( segid "B   " and resid 24   and name HB1 ))
 OR {  687}
   (( segid "B   " and resid 23   and name HB2 ))
   (( segid "B   " and resid 25   and name HG2 ))
 OR {  687}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  688}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 14   and name HB2 ))
      2.000     0.500     0.500 peak   688 weight  0.10000E+01 volume  0.14380E-01 ppm1      3.192 ppm2      1.624 CV     1
 OR {  688}
   (( segid "A   " and resid 9    and name HD1 ))
   (( segid "A   " and resid 9    and name HG1 ))
 OR {  688}
   (( segid "A   " and resid 11   and name HD1 ))
   (( segid "A   " and resid 11   and name HG1 ))
 OR {  688}
   (( segid "B   " and resid 20   and name HD2 ))
   (( segid "B   " and resid 20   and name HG1 ))
 OR {  688}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 32   and name HG1 ))
 OR {  688}
   (( segid "A   " and resid 9    and name HD2 ))
   (( segid "A   " and resid 9    and name HG1 ))
 ASSI {  689}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "A   " and resid 8    and name HD1 ))
      4.200     2.200     1.800 peak   689 weight  0.10000E+01 volume  0.10892E-02 ppm1      3.107 ppm2      1.654 CV     1
 OR {  689}
   (( segid "B   " and resid 23   and name HB2 ))
   (( segid "B   " and resid 25   and name HD2 ))
 OR {  689}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 25   and name HD2 ))
 ASSI {  690}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 30   and name HG1 ))
      4.200     2.200     1.800 peak   690 weight  0.10000E+01 volume  0.90765E-03 ppm1      3.191 ppm2      1.538 CV     1
 OR {  690}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 33   and name HB1 ))
 OR {  690}
   (( segid "A   " and resid 11   and name HE  ))
   (( segid "A   " and resid 3    and name HD1 ))
 ASSI {  691}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 3    and name HD1 ))
      3.600     1.700     1.700 peak   691 weight  0.10000E+01 volume  0.71316E-03 ppm1      2.957 ppm2      1.566 CV     1
 OR {  691}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 9    and name HG1 ))
 OR {  691}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 3    and name HD1 ))
 ASSI {  692}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 3    and name HD1 ))
      3.000     1.200     1.200 peak   692 weight  0.10000E+01 volume  0.17505E-02 ppm1      2.995 ppm2      1.556 CV     1
 OR {  692}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 3    and name HD1 ))
 ASSI {  693}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 21   and name HG1 ))
      4.700     2.800     1.300 peak   693 weight  0.10000E+01 volume  0.58350E-03 ppm1      3.303 ppm2      1.404 CV     1
 OR {  693}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  707}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 24   and name HB1 ))
      3.700     1.700     1.700 peak   707 weight  0.10000E+01 volume  0.79096E-03 ppm1      2.404 ppm2      1.386 CV     1
 OR {  707}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 31   and name HB1 ))
 ASSI {  713}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 25   and name HD2 ))
      4.000     2.000     2.000 peak   713 weight  0.10000E+01 volume  0.82986E-03 ppm1      2.422 ppm2      1.652 CV     1
 OR {  713}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "B   " and resid 14   and name HG  ))
 OR {  713}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HG1 ))
 OR {  713}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "A   " and resid 8    and name HD1 ))
 ASSI {  714}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 25   and name HD2 ))
      3.900     1.900     1.900 peak   714 weight  0.10000E+01 volume  0.89469E-03 ppm1      2.360 ppm2      1.659 CV     1
 OR {  714}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "B   " and resid 14   and name HG  ))
 OR {  714}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 32   and name HG1 ))
 OR {  714}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HG1 ))
 OR {  714}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "A   " and resid 8    and name HD1 ))
 ASSI {  715}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 25   and name HD2 ))
      4.000     2.000     2.000 peak   715 weight  0.10000E+01 volume  0.82986E-03 ppm1      2.365 ppm2      1.621 CV     1
 OR {  715}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 30   and name HG1 ))
 OR {  715}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "B   " and resid 14   and name HG  ))
 OR {  715}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HG1 ))
 OR {  715}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 32   and name HG1 ))
 OR {  715}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HG1 ))
 OR {  715}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "A   " and resid 8    and name HD1 ))
 ASSI {  720}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 30   and name HB1 ))
      3.900     1.900     1.900 peak   720 weight  0.10000E+01 volume  0.72613E-03 ppm1      2.284 ppm2      1.757 CV     1
 OR {  720}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  720}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  720}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HB1 ))
 ASSI {  721}
   (( segid "B   " and resid 22   and name HG1 ))
   (( segid "A   " and resid 8    and name HB1 ))
      3.000     1.100     1.100 peak   721 weight  0.10000E+01 volume  0.79096E-03 ppm1      2.277 ppm2      1.825 CV     1
 OR {  721}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 ASSI {  722}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.800     1.800     1.800 peak   722 weight  0.10000E+01 volume  0.71316E-03 ppm1      2.288 ppm2      1.811 CV     1
 OR {  722}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  722}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 ASSI {  725}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
      4.000     2.000     2.000 peak   725 weight  0.10000E+01 volume  0.75206E-03 ppm1      2.371 ppm2      1.822 CV     1
 OR {  725}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 32   and name HB1 ))
 OR {  725}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  725}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  725}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HB1 ))
 ASSI {  726}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HB2 ))
      4.000     2.000     2.000 peak   726 weight  0.10000E+01 volume  0.70019E-03 ppm1      2.403 ppm2      1.813 CV     1
 OR {  726}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  726}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  726}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HB1 ))
 ASSI {  727}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 30   and name HB1 ))
      4.100     2.100     1.900 peak   727 weight  0.10000E+01 volume  0.73909E-03 ppm1      2.412 ppm2      1.768 CV     1
 OR {  727}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HB2 ))
 OR {  727}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  727}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 30   and name HB1 ))
 OR {  727}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 ASSI {  728}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.900     1.900     1.900 peak   728 weight  0.10000E+01 volume  0.88172E-03 ppm1      2.357 ppm2      1.770 CV     1
 OR {  728}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  728}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 30   and name HB1 ))
 OR {  728}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HB2 ))
 OR {  728}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HB1 ))
 OR {  728}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 30   and name HB2 ))
 ASSI {  737}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "A   " and resid 11   and name HG1 ))
      4.200     2.200     1.800 peak   737 weight  0.10000E+01 volume  0.54460E-03 ppm1      2.762 ppm2      1.673 CV     1
 OR {  737}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 20   and name HG1 ))
 OR {  737}
   (( segid "A   " and resid 10   and name HB2 ))
   (( segid "A   " and resid 11   and name HG1 ))
 ASSI {  738}
   (( segid "A   " and resid 10   and name HB2 ))
   (( segid "A   " and resid 9    and name HG1 ))
      3.900     1.900     1.900 peak   738 weight  0.10000E+01 volume  0.53161E-03 ppm1      2.785 ppm2      1.645 CV     1
 OR {  738}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "A   " and resid 11   and name HG1 ))
 ASSI {  740}
   (( segid "B   " and resid 19   and name HB1 ))
   (( segid "A   " and resid 11   and name HG1 ))
      3.900     1.900     1.900 peak   740 weight  0.10000E+01 volume  0.49271E-03 ppm1      2.715 ppm2      1.641 CV     1
 OR {  740}
   (( segid "B   " and resid 19   and name HB1 ))
   (( segid "B   " and resid 20   and name HG1 ))
 ASSI {  748}
   (( segid "B   " and resid 22   and name HG1 ))
   (( segid "B   " and resid 22   and name HB2 ))
      3.100     1.200     1.200 peak   748 weight  0.10000E+01 volume  0.93358E-03 ppm1      2.208 ppm2      1.934 CV     1
 OR {  748}
   (( segid "B   " and resid 22   and name HG2 ))
   (( segid "B   " and resid 22   and name HB2 ))
 OR {  748}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {  750}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 28   and name HB1 ))
      3.100     1.200     1.200 peak   750 weight  0.10000E+01 volume  0.22432E-02 ppm1      2.366 ppm2      2.102 CV     1
 OR {  750}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 29   and name HB2 ))
 OR {  750}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 28   and name HB1 ))
 ASSI {  751}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "A   " and resid 1    and name HE1 ))
      3.400     1.500     1.500 peak   751 weight  0.10000E+01 volume  0.19579E-02 ppm1      2.423 ppm2      2.087 CV     1
 OR {  751}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "A   " and resid 4    and name HB  ))
 ASSI {  755}
   (( segid "A   " and resid 8    and name HD1 ))
   (  segid "A   " and resid 4    and name HG2%)
      3.200     1.300     1.300 peak   755 weight  0.10000E+01 volume  0.26841E-02 ppm1      1.694 ppm2      0.977 CV     1
 OR {  755}
   (( segid "A   " and resid 8    and name HD1 ))
   (  segid "A   " and resid 4    and name HG1%)
 OR {  755}
   (( segid "A   " and resid 3    and name HB2 ))
   (  segid "A   " and resid 4    and name HG2%)
 ASSI {  756}
   (( segid "A   " and resid 8    and name HD1 ))
   (  segid "A   " and resid 4    and name HG2%)
      3.100     1.200     1.200 peak   756 weight  0.10000E+01 volume  0.30731E-02 ppm1      1.693 ppm2      0.944 CV     1
 OR {  756}
   (( segid "B   " and resid 12   and name HD2 ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  756}
   (( segid "A   " and resid 8    and name HD1 ))
   (  segid "A   " and resid 4    and name HG1%)
 ASSI {  758}
   (( segid "B   " and resid 14   and name HB2 ))
   (( segid "B   " and resid 14   and name HD11))
      2.300     0.700     0.700 peak   758 weight  0.10000E+01 volume  0.65998E-02 ppm1      1.619 ppm2      0.955 CV     1
 OR {  758}
   (( segid "B   " and resid 14   and name HG  ))
   (( segid "B   " and resid 14   and name HD21))
 OR {  758}
   (( segid "B   " and resid 14   and name HG  ))
   (( segid "B   " and resid 14   and name HD11))
 OR {  758}
   (( segid "B   " and resid 13   and name HG  ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  758}
   (( segid "B   " and resid 13   and name HB2 ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  758}
   (( segid "B   " and resid 14   and name HB2 ))
   (( segid "B   " and resid 14   and name HD21))
 ASSI {  759}
   (( segid "B   " and resid 14   and name HB2 ))
   (( segid "B   " and resid 14   and name HD11))
      2.300     0.700     0.700 peak   759 weight  0.10000E+01 volume  0.59127E-02 ppm1      1.619 ppm2      0.917 CV     1
 OR {  759}
   (( segid "B   " and resid 14   and name HG  ))
   (( segid "B   " and resid 14   and name HD21))
 OR {  759}
   (( segid "B   " and resid 14   and name HG  ))
   (( segid "B   " and resid 14   and name HD11))
 OR {  759}
   (( segid "B   " and resid 13   and name HG  ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  759}
   (( segid "B   " and resid 14   and name HB2 ))
   (( segid "B   " and resid 14   and name HD21))
 ASSI {  761}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 15   and name HG21))
      2.800     1.000     1.000 peak   761 weight  0.10000E+01 volume  0.32805E-02 ppm1      1.828 ppm2      0.865 CV     1
 OR {  761}
   (( segid "B   " and resid 17   and name HB  ))
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  762}
   (( segid "A   " and resid 1    and name HB2 ))
   (  segid "A   " and resid 4    and name HG1%)
      2.500     0.800     0.800 peak   762 weight  0.10000E+01 volume  0.24506E-02 ppm1      1.880 ppm2      0.908 CV     1
 OR {  762}
   (( segid "B   " and resid 17   and name HB  ))
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  764}
   (( segid "A   " and resid 8    and name HB1 ))
   (  segid "A   " and resid 4    and name HG2%)
      4.100     2.100     1.900 peak   764 weight  0.10000E+01 volume  0.97248E-03 ppm1      1.804 ppm2      0.944 CV     1
 OR {  764}
   (( segid "A   " and resid 8    and name HB1 ))
   (  segid "A   " and resid 4    and name HG1%)
 OR {  764}
   (( segid "B   " and resid 15   and name HB  ))
   (  segid "A   " and resid 4    and name HG2%)
 ASSI {  765}
   (( segid "B   " and resid 21   and name HD2 ))
   (( segid "B   " and resid 17   and name HG21))
      3.200     1.300     1.300 peak   765 weight  0.10000E+01 volume  0.13355E-02 ppm1      1.698 ppm2      0.912 CV     1
 OR {  765}
   (( segid "B   " and resid 12   and name HD2 ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  765}
   (( segid "A   " and resid 8    and name HD1 ))
   (  segid "A   " and resid 4    and name HG1%)
 OR {  765}
   (( segid "A   " and resid 3    and name HB2 ))
   (  segid "A   " and resid 4    and name HG1%)
 ASSI {  766}
   (( segid "B   " and resid 21   and name HD2 ))
   (( segid "B   " and resid 17   and name HG21))
      3.300     1.400     1.400 peak   766 weight  0.10000E+01 volume  0.11151E-02 ppm1      1.726 ppm2      0.899 CV     1
 OR {  766}
   (( segid "B   " and resid 12   and name HD2 ))
   (( segid "B   " and resid 13   and name HD11))
 ASSI {  767}
   (( segid "B   " and resid 21   and name HD2 ))
   (( segid "B   " and resid 17   and name HG21))
      3.200     1.300     1.300 peak   767 weight  0.10000E+01 volume  0.15171E-02 ppm1      1.694 ppm2      0.869 CV     1
 OR {  767}
   (( segid "B   " and resid 12   and name HD2 ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  767}
   (( segid "A   " and resid 11   and name HG1 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  768}
   (( segid "B   " and resid 21   and name HD2 ))
   (( segid "B   " and resid 17   and name HG21))
      3.200     1.300     1.300 peak   768 weight  0.10000E+01 volume  0.10762E-02 ppm1      1.712 ppm2      0.831 CV     1
 OR {  768}
   (( segid "B   " and resid 21   and name HD2 ))
   (( segid "B   " and resid 17   and name HD11))
 OR {  768}
   (( segid "B   " and resid 20   and name HG1 ))
   (( segid "B   " and resid 17   and name HD11))
 OR {  768}
   (( segid "A   " and resid 3    and name HB2 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  768}
   (( segid "A   " and resid 3    and name HB2 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  769}
   (( segid "B   " and resid 14   and name HG  ))
   (( segid "B   " and resid 15   and name HD11))
      3.600     1.600     1.600 peak   769 weight  0.10000E+01 volume  0.18023E-02 ppm1      1.625 ppm2      0.845 CV     1
 OR {  769}
   (( segid "B   " and resid 14   and name HG  ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  769}
   (( segid "B   " and resid 14   and name HB2 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  769}
   (( segid "A   " and resid 11   and name HG1 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  771}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 13   and name HD11))
      2.600     0.800     0.800 peak   771 weight  0.10000E+01 volume  0.21654E-02 ppm1      1.392 ppm2      0.862 CV     1
 OR {  771}
   (( segid "B   " and resid 21   and name HG1 ))
   (( segid "B   " and resid 17   and name HG21))
 OR {  771}
   (( segid "A   " and resid 8    and name HG1 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  772}
   (( segid "B   " and resid 21   and name HG1 ))
   (( segid "B   " and resid 17   and name HG21))
      2.900     1.100     1.100 peak   772 weight  0.10000E+01 volume  0.19968E-02 ppm1      1.399 ppm2      0.839 CV     1
 OR {  772}
   (( segid "B   " and resid 21   and name HG1 ))
   (( segid "B   " and resid 17   and name HD11))
 OR {  772}
   (( segid "A   " and resid 8    and name HG1 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  772}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  777}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 13   and name HD11))
      2.900     1.000     1.000 peak   777 weight  0.10000E+01 volume  0.12059E-02 ppm1      1.442 ppm2      0.955 CV     1
 OR {  777}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 14   and name HD21))
 ASSI {  779}
   (( segid "B   " and resid 21   and name HG1 ))
   (( segid "B   " and resid 17   and name HD11))
      3.200     1.300     1.300 peak   779 weight  0.10000E+01 volume  0.68723E-03 ppm1      1.414 ppm2      0.796 CV     1
 OR {  779}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  784}
   (  segid "B   " and resid 15   and name HG1%)
   (( segid "B   " and resid 15   and name HD11))
      2.700     0.900     0.900 peak   784 weight  0.10000E+01 volume  0.18801E-02 ppm1      1.143 ppm2      0.842 CV     1
 OR {  784}
   (  segid "B   " and resid 15   and name HG1%)
   (( segid "B   " and resid 15   and name HG21))
 OR {  784}
   (  segid "B   " and resid 17   and name HG1%)
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  785}
   (  segid "B   " and resid 15   and name HG1%)
   (( segid "B   " and resid 15   and name HG21))
      2.800     1.000     1.000 peak   785 weight  0.10000E+01 volume  0.23599E-02 ppm1      1.148 ppm2      0.864 CV     1
 OR {  785}
   (  segid "B   " and resid 17   and name HG1%)
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  789}
   (( segid "B   " and resid 17   and name HB  ))
   (  segid "B   " and resid 17   and name HG1%)
      2.900     1.100     1.100 peak   789 weight  0.10000E+01 volume  0.10632E-02 ppm1      1.823 ppm2      1.142 CV     1
 OR {  789}
   (( segid "B   " and resid 15   and name HB  ))
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  793}
   (( segid "B   " and resid 21   and name HD2 ))
   (( segid "B   " and resid 21   and name HG1 ))
      2.100     0.500     0.500 peak   793 weight  0.10000E+01 volume  0.11190E-01 ppm1      1.686 ppm2      1.356 CV     1
 OR {  793}
   (( segid "A   " and resid 8    and name HD1 ))
   (( segid "A   " and resid 8    and name HG1 ))
 OR {  793}
   (( segid "B   " and resid 34   and name HB2 ))
   (( segid "B   " and resid 34   and name HG2 ))
 ASSI {  794}
   (( segid "B   " and resid 21   and name HD2 ))
   (( segid "B   " and resid 21   and name HG1 ))
      2.000     0.500     0.500 peak   794 weight  0.10000E+01 volume  0.14535E-01 ppm1      1.686 ppm2      1.394 CV     1
 OR {  794}
   (( segid "A   " and resid 8    and name HD1 ))
   (( segid "A   " and resid 8    and name HG1 ))
 OR {  794}
   (( segid "B   " and resid 12   and name HD2 ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  795}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 8    and name HG1 ))
      2.300     0.600     0.600 peak   795 weight  0.10000E+01 volume  0.68204E-02 ppm1      1.801 ppm2      1.395 CV     1
 OR {  795}
   (( segid "B   " and resid 25   and name HB1 ))
   (( segid "B   " and resid 25   and name HG2 ))
 OR {  795}
   (( segid "B   " and resid 21   and name HB2 ))
   (( segid "B   " and resid 21   and name HG1 ))
 ASSI {  796}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 8    and name HG1 ))
      2.300     0.600     0.600 peak   796 weight  0.10000E+01 volume  0.61591E-02 ppm1      1.797 ppm2      1.348 CV     1
 OR {  796}
   (( segid "B   " and resid 21   and name HB2 ))
   (( segid "B   " and resid 21   and name HG1 ))
 ASSI {  803}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 8    and name HG1 ))
      4.100     2.100     1.900 peak   803 weight  0.10000E+01 volume  0.98545E-03 ppm1      2.093 ppm2      1.400 CV     1
 OR {  803}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  804}
   (( segid "B   " and resid 27   and name HB2 ))
   (( segid "B   " and resid 24   and name HB1 ))
      3.500     1.600     1.600 peak   804 weight  0.10000E+01 volume  0.72613E-03 ppm1      1.996 ppm2      1.396 CV     1
 OR {  804}
   (( segid "B   " and resid 22   and name HB2 ))
   (( segid "A   " and resid 8    and name HG1 ))
 ASSI {  805}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "B   " and resid 14   and name HG  ))
      3.500     1.500     1.500 peak   805 weight  0.10000E+01 volume  0.15041E-02 ppm1      2.084 ppm2      1.666 CV     1
 OR {  805}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 3    and name HB2 ))
 OR {  805}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 8    and name HD1 ))
 OR {  805}
   (( segid "A   " and resid 1    and name HE1 ))
   (( segid "B   " and resid 14   and name HG  ))
 OR {  805}
   (( segid "B   " and resid 28   and name HB1 ))
   (( segid "B   " and resid 32   and name HG1 ))
 ASSI {  806}
   (( segid "B   " and resid 29   and name HB2 ))
   (( segid "B   " and resid 30   and name HB1 ))
      3.800     1.800     1.800 peak   806 weight  0.10000E+01 volume  0.10114E-02 ppm1      2.092 ppm2      1.712 CV     1
 OR {  806}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 3    and name HB2 ))
 OR {  806}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 8    and name HD1 ))
 ASSI {  807}
   (( segid "B   " and resid 29   and name HB2 ))
   (( segid "B   " and resid 30   and name HB2 ))
      3.800     1.800     1.800 peak   807 weight  0.10000E+01 volume  0.73909E-03 ppm1      2.106 ppm2      1.763 CV     1
 OR {  807}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 8    and name HB1 ))
 OR {  807}
   (( segid "B   " and resid 29   and name HB2 ))
   (( segid "B   " and resid 30   and name HB1 ))
 OR {  807}
   (( segid "B   " and resid 28   and name HB1 ))
   (( segid "B   " and resid 32   and name HB2 ))
 OR {  807}
   (( segid "B   " and resid 29   and name HB2 ))
   (( segid "B   " and resid 32   and name HB2 ))
 ASSI {  809}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 1    and name HB2 ))
      2.800     1.000     1.000 peak   809 weight  0.10000E+01 volume  0.10892E-02 ppm1      2.086 ppm2      1.886 CV     1
 OR {  809}
   (( segid "A   " and resid 1    and name HE1 ))
   (( segid "A   " and resid 1    and name HB2 ))
 ASSI {  812}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 27   and name HB2 ))
      3.300     1.400     1.400 peak   812 weight  0.10000E+01 volume  0.71316E-03 ppm1      2.427 ppm2      2.008 CV     1
 OR {  812}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "A   " and resid 1    and name HE1 ))
 ASSI {  813}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 22   and name HG1 ))
      3.700     1.700     1.700 peak   813 weight  0.10000E+01 volume  0.92062E-03 ppm1      3.199 ppm2      2.278 CV     1
 OR {  813}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HG2 ))
 OR {  813}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HG2 ))
 ASSI {  814}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 22   and name HG1 ))
      3.800     1.800     1.800 peak   814 weight  0.10000E+01 volume  0.71316E-03 ppm1      3.190 ppm2      2.206 CV     1
 OR {  814}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HG2 ))
 OR {  814}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HG2 ))
 OR {  814}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 22   and name HG2 ))
 ASSI {  815}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HG1 ))
      4.000     2.000     2.000 peak   815 weight  0.10000E+01 volume  0.79096E-03 ppm1      3.171 ppm2      2.355 CV     1
 OR {  815}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 29   and name HG2 ))
 OR {  815}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 28   and name HG2 ))
 ASSI {  819}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HG1 ))
      3.900     1.900     1.900 peak   819 weight  0.10000E+01 volume  0.76503E-03 ppm1      3.209 ppm2      2.422 CV     1
 OR {  819}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 28   and name HG2 ))
 OR {  819}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HG1 ))
 ASSI {  821}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 28   and name HG2 ))
      4.400     2.400     1.600 peak   821 weight  0.10000E+01 volume  0.57053E-03 ppm1      3.114 ppm2      2.411 CV     1
 OR {  821}
   (( segid "B   " and resid 23   and name HB2 ))
   (( segid "B   " and resid 27   and name HG1 ))
 OR {  821}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 27   and name HG1 ))
 ASSI {  825}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 29   and name HB2 ))
      3.700     1.700     1.700 peak   825 weight  0.10000E+01 volume  0.99842E-03 ppm1      3.178 ppm2      2.082 CV     1
 OR {  825}
   (( segid "A   " and resid 11   and name HE  ))
   (( segid "A   " and resid 4    and name HB  ))
 ASSI {  826}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 29   and name HB2 ))
      3.700     1.700     1.700 peak   826 weight  0.10000E+01 volume  0.77799E-03 ppm1      3.111 ppm2      2.083 CV     1
 OR {  826}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "A   " and resid 4    and name HB  ))
 ASSI {  827}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 29   and name HB2 ))
      3.800     1.800     1.800 peak   827 weight  0.10000E+01 volume  0.11151E-02 ppm1      3.179 ppm2      2.050 CV     1
 OR {  827}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HB2 ))
 OR {  827}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HB2 ))
 ASSI {  828}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 22   and name HB2 ))
      4.100     2.100     1.900 peak   828 weight  0.10000E+01 volume  0.59647E-03 ppm1      3.210 ppm2      2.001 CV     1
 OR {  828}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HB2 ))
 OR {  828}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 22   and name HB2 ))
 OR {  828}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HB2 ))
 ASSI {  829}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 22   and name HB2 ))
      4.200     2.200     1.800 peak   829 weight  0.10000E+01 volume  0.57053E-03 ppm1      3.180 ppm2      1.995 CV     1
 OR {  829}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HB2 ))
 OR {  829}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 22   and name HB2 ))
 OR {  829}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HB2 ))
 OR {  829}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HB1 ))
 OR {  829}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {  830}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 29   and name HB2 ))
      3.800     1.800     1.800 peak   830 weight  0.10000E+01 volume  0.80392E-03 ppm1      3.136 ppm2      2.051 CV     1
 OR {  830}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "A   " and resid 4    and name HB  ))
 OR {  830}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 29   and name HB2 ))
 OR {  830}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HB2 ))
 ASSI {  839}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 12   and name HB2 ))
      4.300     2.300     1.700 peak   839 weight  0.10000E+01 volume  0.60943E-03 ppm1      2.960 ppm2      1.947 CV     1
 OR {  839}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "B   " and resid 22   and name HB2 ))
 ASSI {  842}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 9    and name HB1 ))
      4.300     2.400     1.700 peak   842 weight  0.10000E+01 volume  0.59647E-03 ppm1      2.961 ppm2      1.868 CV     1
 OR {  842}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 12   and name HB2 ))
 ASSI {  843}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 9    and name HB1 ))
      3.200     1.300     1.300 peak   843 weight  0.10000E+01 volume  0.32415E-02 ppm1      2.998 ppm2      1.800 CV     1
 OR {  843}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 8    and name HB1 ))
 ASSI {  844}
   (( segid "A   " and resid 11   and name HE  ))
   (( segid "A   " and resid 11   and name HB2 ))
      2.400     0.700     0.700 peak   844 weight  0.10000E+01 volume  0.49271E-02 ppm1      3.191 ppm2      1.839 CV     1
 OR {  844}
   (( segid "A   " and resid 9    and name HD2 ))
   (( segid "A   " and resid 9    and name HB1 ))
 OR {  844}
   (( segid "A   " and resid 11   and name HD1 ))
   (( segid "A   " and resid 11   and name HB2 ))
 OR {  844}
   (( segid "A   " and resid 9    and name HD1 ))
   (( segid "A   " and resid 9    and name HB1 ))
 OR {  844}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 32   and name HB1 ))
 ASSI {  845}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 32   and name HB2 ))
      2.300     0.700     0.700 peak   845 weight  0.10000E+01 volume  0.57183E-02 ppm1      3.194 ppm2      1.761 CV     1
 OR {  845}
   (( segid "A   " and resid 9    and name HD1 ))
   (( segid "A   " and resid 9    and name HB2 ))
 OR {  845}
   (( segid "A   " and resid 9    and name HD2 ))
   (( segid "A   " and resid 9    and name HB2 ))
 ASSI {  846}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 8    and name HD1 ))
      1.700     0.400     0.500 peak   846 weight  0.10000E+01 volume  0.21135E-01 ppm1      2.995 ppm2      1.689 CV     1
 OR {  846}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 12   and name HD2 ))
 OR {  846}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 9    and name HB2 ))
 ASSI {  847}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 8    and name HD1 ))
      2.200     0.600     0.600 peak   847 weight  0.10000E+01 volume  0.73648E-02 ppm1      2.958 ppm2      1.656 CV     1
 OR {  847}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 9    and name HG1 ))
 ASSI {  849}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 3    and name HB2 ))
      4.700     2.700     1.300 peak   849 weight  0.10000E+01 volume  0.58350E-03 ppm1      3.301 ppm2      1.746 CV     1
 OR {  849}
   (( segid "B   " and resid 35   and name HB2 ))
   (( segid "B   " and resid 34   and name HB2 ))
 ASSI {  852}
   (( segid "B   " and resid 18   and name HB1 ))
   (  segid "B   " and resid 15   and name HG1%)
      4.800     2.900     1.200 peak   852 weight  0.10000E+01 volume  0.50568E-03 ppm1      3.259 ppm2      1.146 CV     1
 OR {  852}
   (( segid "B   " and resid 18   and name HB1 ))
   (  segid "B   " and resid 17   and name HG1%)
 OR {  852}
   (( segid "A   " and resid 2    and name HB2 ))
   (  segid "B   " and resid 15   and name HG1%)
 OR {  852}
   (( segid "B   " and resid 18   and name HB2 ))
   (  segid "B   " and resid 17   and name HG1%)
 ASSI {  857}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "A   " and resid 3    and name HG2 ))
      4.800     2.800     1.200 peak   857 weight  0.10000E+01 volume  0.51864E-03 ppm1      1.802 ppm2      1.091 CV     1
 OR {  857}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 3    and name HG2 ))
 ASSI {  858}
   (( segid "B   " and resid 12   and name HD2 ))
   (  segid "B   " and resid 15   and name HG1%)
      4.000     2.000     2.000 peak   858 weight  0.10000E+01 volume  0.10243E-02 ppm1      1.693 ppm2      1.205 CV     1
 OR {  858}
   (( segid "B   " and resid 20   and name HG1 ))
   (  segid "B   " and resid 17   and name HG1%)
 OR {  858}
   (( segid "A   " and resid 3    and name HB2 ))
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  860}
   (( segid "A   " and resid 8    and name HG1 ))
   (( segid "A   " and resid 3    and name HG2 ))
      4.600     2.700     1.400 peak   860 weight  0.10000E+01 volume  0.77799E-03 ppm1      1.388 ppm2      1.092 CV     1
 OR {  860}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 3    and name HG2 ))
 ASSI {  872}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 17   and name HD11))
      3.400     1.500     1.500 peak   872 weight  0.10000E+01 volume  0.53161E-03 ppm1      4.042 ppm2      0.788 CV     1
 OR {  872}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  873}
   (( segid "B   " and resid 22   and name HG1 ))
   (( segid "B   " and resid 15   and name HG21))
      2.700     2.700     3.300 peak   873 weight  0.10000E+01 volume  0.55757E-03 ppm1      2.269 ppm2      0.878 CV     1
 OR {  873}
   (( segid "B   " and resid 22   and name HG1 ))
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  883}
   (( segid "B   " and resid 17   and name HB  ))
   (( segid "B   " and resid 17   and name HG21))
      3.400     1.400     1.400 peak   883 weight  0.10000E+01 volume  0.11410E-02 ppm1      1.871 ppm2      0.835 CV     1
 OR {  883}
   (( segid "B   " and resid 20   and name HB2 ))
   (( segid "B   " and resid 17   and name HD11))
 OR {  883}
   (( segid "B   " and resid 17   and name HB  ))
   (( segid "B   " and resid 17   and name HD11))
 ASSI {  884}
   (( segid "B   " and resid 17   and name HB  ))
   (( segid "B   " and resid 17   and name HD11))
      3.900     1.900     1.900 peak   884 weight  0.10000E+01 volume  0.75206E-03 ppm1      1.827 ppm2      0.804 CV     1
 OR {  884}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  885}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 15   and name HD11))
      4.300     2.300     1.700 peak   885 weight  0.10000E+01 volume  0.38898E-03 ppm1      1.772 ppm2      0.818 CV     1
 OR {  885}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  887}
   (( segid "B   " and resid 14   and name HG  ))
   (( segid "B   " and resid 15   and name HD11))
      4.100     2.100     1.900 peak   887 weight  0.10000E+01 volume  0.71316E-03 ppm1      1.621 ppm2      0.806 CV     1
 OR {  887}
   (( segid "B   " and resid 20   and name HG1 ))
   (( segid "B   " and resid 17   and name HD11))
 ASSI {  888}
   (( segid "B   " and resid 21   and name HD2 ))
   (( segid "B   " and resid 17   and name HD11))
      3.700     1.700     1.700 peak   888 weight  0.10000E+01 volume  0.60943E-03 ppm1      1.727 ppm2      0.806 CV     1
 OR {  888}
   (( segid "A   " and resid 3    and name HB2 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  888}
   (( segid "B   " and resid 12   and name HD2 ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  894}
   (( segid "A   " and resid 8    and name HD1 ))
   (( segid "A   " and resid 8    and name HG1 ))
      2.400     0.700     0.700 peak   894 weight  0.10000E+01 volume  0.31248E-02 ppm1      1.641 ppm2      1.307 CV     1
 OR {  894}
   (( segid "B   " and resid 34   and name HD1 ))
   (( segid "B   " and resid 34   and name HG2 ))
 ASSI {  900}
   (( segid "A   " and resid 3    and name HD1 ))
   (( segid "B   " and resid 12   and name HG2 ))
      3.600     1.600     1.600 peak   900 weight  0.10000E+01 volume  0.18542E-02 ppm1      1.558 ppm2      1.413 CV     1
 OR {  900}
   (( segid "B   " and resid 30   and name HG1 ))
   (( segid "B   " and resid 31   and name HB1 ))
 OR {  900}
   (( segid "B   " and resid 13   and name HG  ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  901}
   (( segid "B   " and resid 14   and name HG  ))
   (( segid "B   " and resid 12   and name HG2 ))
      3.700     1.700     1.700 peak   901 weight  0.10000E+01 volume  0.10243E-02 ppm1      1.627 ppm2      1.463 CV     1
 OR {  901}
   (( segid "B   " and resid 13   and name HG  ))
   (( segid "B   " and resid 12   and name HG2 ))
 OR {  901}
   (( segid "B   " and resid 13   and name HB2 ))
   (( segid "B   " and resid 12   and name HG2 ))
 OR {  901}
   (( segid "B   " and resid 32   and name HG1 ))
   (( segid "B   " and resid 33   and name HB1 ))
 OR {  901}
   (( segid "B   " and resid 25   and name HD2 ))
   (( segid "B   " and resid 24   and name HB1 ))
 ASSI {  904}
   (( segid "B   " and resid 32   and name HB1 ))
   (( segid "B   " and resid 32   and name HG1 ))
      2.200     0.600     0.600 peak   904 weight  0.10000E+01 volume  0.11034E-01 ppm1      1.839 ppm2      1.647 CV     1
 OR {  904}
   (( segid "A   " and resid 11   and name HB2 ))
   (( segid "A   " and resid 11   and name HG1 ))
 OR {  904}
   (( segid "A   " and resid 9    and name HB1 ))
   (( segid "A   " and resid 9    and name HG1 ))
 OR {  904}
   (( segid "B   " and resid 21   and name HB2 ))
   (( segid "B   " and resid 21   and name HD2 ))
 ASSI {  905}
   (( segid "B   " and resid 34   and name HB2 ))
   (( segid "B   " and resid 34   and name HD1 ))
      2.000     0.500     0.500 peak   905 weight  0.10000E+01 volume  0.14068E-01 ppm1      1.756 ppm2      1.631 CV     1
 OR {  905}
   (( segid "A   " and resid 9    and name HB2 ))
   (( segid "A   " and resid 9    and name HG1 ))
 OR {  905}
   (( segid "B   " and resid 32   and name HB2 ))
   (( segid "B   " and resid 32   and name HG1 ))
 OR {  905}
   (( segid "B   " and resid 25   and name HB1 ))
   (( segid "B   " and resid 25   and name HD2 ))
 ASSI {  908}
   (( segid "B   " and resid 27   and name HB2 ))
   (( segid "B   " and resid 25   and name HD2 ))
      4.000     2.000     2.000 peak   908 weight  0.10000E+01 volume  0.49271E-03 ppm1      1.999 ppm2      1.661 CV     1
 OR {  908}
   (( segid "B   " and resid 22   and name HB2 ))
   (( segid "B   " and resid 25   and name HD2 ))
 ASSI {  909}
   (( segid "B   " and resid 27   and name HB1 ))
   (( segid "B   " and resid 30   and name HG1 ))
      4.100     2.100     1.900 peak   909 weight  0.10000E+01 volume  0.55757E-03 ppm1      1.965 ppm2      1.599 CV     1
 OR {  909}
   (( segid "B   " and resid 22   and name HB2 ))
   (( segid "B   " and resid 25   and name HD2 ))
 OR {  909}
   (( segid "B   " and resid 27   and name HB1 ))
   (( segid "B   " and resid 25   and name HD2 ))
 ASSI {  912}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 3    and name HD1 ))
      4.300     2.300     1.700 peak   912 weight  0.10000E+01 volume  0.73909E-03 ppm1      2.079 ppm2      1.540 CV     1
 OR {  912}
   (( segid "B   " and resid 29   and name HB2 ))
   (( segid "B   " and resid 33   and name HB1 ))
 ASSI {  913}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 3    and name HD1 ))
      4.400     2.500     1.600 peak   913 weight  0.10000E+01 volume  0.75206E-03 ppm1      2.084 ppm2      1.585 CV     1
 OR {  913}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "B   " and resid 14   and name HG  ))
 OR {  913}
   (( segid "B   " and resid 29   and name HB2 ))
   (( segid "B   " and resid 30   and name HG1 ))
 ASSI {  916}
   (( segid "B   " and resid 27   and name HB1 ))
   (( segid "B   " and resid 31   and name HB1 ))
      3.600     1.600     1.600 peak   916 weight  0.10000E+01 volume  0.46678E-03 ppm1      1.958 ppm2      1.340 CV     1
 OR {  916}
   (( segid "B   " and resid 20   and name HB2 ))
   (( segid "B   " and resid 21   and name HG1 ))
 OR {  916}
   (( segid "B   " and resid 22   and name HB2 ))
   (( segid "A   " and resid 8    and name HG1 ))
 ASSI {  920}
   (( segid "B   " and resid 21   and name HD2 ))
   (( segid "B   " and resid 17   and name HD11))
      4.100     2.100     1.900 peak   920 weight  0.10000E+01 volume  0.45381E-03 ppm1      1.680 ppm2      0.767 CV     1
 OR {  920}
   (( segid "B   " and resid 14   and name HB2 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  920}
   (( segid "B   " and resid 20   and name HG1 ))
   (( segid "B   " and resid 17   and name HD11))
 OR {  920}
   (( segid "A   " and resid 3    and name HB2 ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  922}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 15   and name HD11))
      4.300     2.300     1.700 peak   922 weight  0.10000E+01 volume  0.53161E-03 ppm1      2.999 ppm2      0.814 CV     1
 OR {  922}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  927}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 21   and name HG1 ))
      4.800     2.900     1.200 peak   927 weight  0.10000E+01 volume  0.38898E-03 ppm1      2.813 ppm2      1.403 CV     1
 OR {  927}
   (( segid "A   " and resid 10   and name HB1 ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  928}
   (( segid "B   " and resid 19   and name HB1 ))
   (( segid "B   " and resid 21   and name HG1 ))
      4.300     2.300     1.700 peak   928 weight  0.10000E+01 volume  0.63536E-03 ppm1      2.737 ppm2      1.398 CV     1
 OR {  928}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 21   and name HG1 ))
 OR {  928}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "A   " and resid 8    and name HG1 ))
 ASSI {  934}
   (( segid "A   " and resid 3    and name HE1 ))
   (( segid "B   " and resid 15   and name HB  ))
      4.500     2.600     1.500 peak   934 weight  0.10000E+01 volume  0.44085E-03 ppm1      2.840 ppm2      1.831 CV     1
 OR {  934}
   (( segid "A   " and resid 10   and name HB1 ))
   (( segid "A   " and resid 11   and name HB2 ))
 ASSI {  935}
   (( segid "B   " and resid 23   and name HB2 ))
   (( segid "B   " and resid 22   and name HB2 ))
      3.900     1.900     1.900 peak   935 weight  0.10000E+01 volume  0.44085E-03 ppm1      3.090 ppm2      1.946 CV     1
 OR {  935}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "A   " and resid 11   and name HB1 ))
 OR {  935}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 27   and name HB1 ))
 OR {  935}
   (( segid "B   " and resid 23   and name HB2 ))
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {  936}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "A   " and resid 11   and name HB1 ))
      4.300     2.300     1.700 peak   936 weight  0.10000E+01 volume  0.53161E-03 ppm1      3.122 ppm2      1.911 CV     1
 OR {  936}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 27   and name HB1 ))
 OR {  936}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {  938}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 21   and name HB2 ))
      4.300     2.300     1.700 peak   938 weight  0.10000E+01 volume  0.59647E-03 ppm1      3.302 ppm2      1.829 CV     1
 OR {  938}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "A   " and resid 8    and name HB1 ))
 OR {  938}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 15   and name HB  ))
 OR {  938}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 15   and name HB  ))
 ASSI {  941}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 22   and name HB2 ))
      4.500     2.500     1.500 peak   941 weight  0.10000E+01 volume  0.41492E-03 ppm1      3.295 ppm2      1.958 CV     1
 OR {  941}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 20   and name HB2 ))
 ASSI {  945}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 15   and name HB  ))
      3.700     1.700     1.700 peak   945 weight  0.10000E+01 volume  0.60943E-03 ppm1      4.365 ppm2      1.816 CV     1
 OR {  945}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 15   and name HB  ))
 OR {  945}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 17   and name HB  ))
 ASSI {  956}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "A   " and resid 8    and name HA  ))
      4.000     2.000     2.000 peak   956 weight  0.10000E+01 volume  0.47975E-03 ppm1      4.616 ppm2      4.237 CV     1
 OR {  956}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "A   " and resid 1    and name HA  ))
 OR {  956}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 20   and name HA  ))
 OR {  956}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 22   and name HA  ))
 OR {  956}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 21   and name HA  ))
 ASSI {  958}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 14   and name HB2 ))
      4.600     2.700     1.400 peak   958 weight  0.10000E+01 volume  0.37602E-03 ppm1      4.620 ppm2      1.640 CV     1
 OR {  958}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 20   and name HG1 ))
 OR {  958}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "A   " and resid 11   and name HG1 ))
 ASSI {  959}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "A   " and resid 4    and name HB  ))
      4.300     2.300     1.700 peak   959 weight  0.10000E+01 volume  0.72613E-03 ppm1      4.623 ppm2      2.048 CV     1
 OR {  959}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "A   " and resid 1    and name HE1 ))
 ASSI {    3}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 7    and name HA  ))
      3.300     1.400     1.400 peak     3 weight  0.10000E+01 volume  0.26710E-02 ppm1      7.362 ppm2      4.550 CV     1
 OR {    3}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 23   and name HA  ))
 ASSI {   30}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "A   " and resid 2    and name HB2 ))
      2.300     0.600     0.600 peak    30 weight  0.10000E+01 volume  0.75206E-03 ppm1      7.668 ppm2      3.300 CV     1
 OR {   30}
   (( segid "B   " and resid 35   and name HE3 ))
   (( segid "B   " and resid 35   and name HB2 ))
 ASSI {   49}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 7    and name HB1 ))
      3.500     1.500     1.500 peak    49 weight  0.10000E+01 volume  0.26061E-02 ppm1      7.361 ppm2      3.112 CV     1
 OR {   49}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 26   and name HB2 ))
 ASSI {   73}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 23   and name HB1 ))
      3.800     1.800     1.800 peak    73 weight  0.10000E+01 volume  0.19320E-02 ppm1      7.356 ppm2      3.201 CV     1
 OR {   73}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 26   and name HB1 ))
 ASSI {   80}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "A   " and resid 10   and name HB1 ))
      4.300     2.300     1.700 peak    80 weight  0.10000E+01 volume  0.66130E-03 ppm1      7.330 ppm2      2.893 CV     1
 OR {   80}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "A   " and resid 3    and name HE1 ))
 ASSI {   82}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HG2 ))
      3.300     1.400     1.400 peak    82 weight  0.10000E+01 volume  0.67426E-03 ppm1      7.332 ppm2      2.276 CV     1
 OR {   82}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 22   and name HG1 ))
 ASSI {  104}
   (  segid "A   " and resid 6    and name HE% )
   (  segid "A   " and resid 4    and name HG1%)
      2.000     2.000     4.000 peak   104 weight  0.10000E+01 volume  0.31248E-02 ppm1      7.323 ppm2      0.946 CV     1
 OR {  104}
   (( segid "B   " and resid 18   and name HD1 ))
   (  segid "A   " and resid 4    and name HG1%)
 ASSI {  114}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD13))
      3.000     1.100     1.100 peak   114 weight  0.10000E+01 volume  0.15171E-02 ppm1      7.315 ppm2      0.868 CV     1
 OR {  114}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD13))
 OR {  114}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HD12))
 OR {  114}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  114}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  114}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HD11))
 OR {  114}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD12))
 OR {  114}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD12))
 ASSI {  123}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 26   and name HB2 ))
      3.000     1.100     1.100 peak   123 weight  0.10000E+01 volume  0.15560E-02 ppm1      7.262 ppm2      3.081 CV     1
 OR {  123}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 23   and name HB2 ))
 ASSI {  127}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 4    and name HB  ))
      3.500     3.500     2.500 peak   127 weight  0.10000E+01 volume  0.31896E-02 ppm1      7.263 ppm2      2.049 CV     1
 OR {  127}
   (( segid "A   " and resid 2    and name HD1 ))
   (( segid "A   " and resid 4    and name HB  ))
 ASSI {  155}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 8    and name HG1 ))
      3.900     1.900     1.900 peak   155 weight  0.10000E+01 volume  0.11670E-02 ppm1      7.251 ppm2      1.357 CV     1
 OR {  155}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 33   and name HB2 ))
 ASSI {  156}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 7    and name HB1 ))
      2.100     0.600     0.600 peak   156 weight  0.10000E+01 volume  0.62240E-02 ppm1      7.242 ppm2      3.118 CV     1
 OR {  156}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 26   and name HB2 ))
 ASSI {  189}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 22   and name HB2 ))
      3.900     1.900     1.900 peak   189 weight  0.10000E+01 volume  0.76503E-03 ppm1      4.560 ppm2      1.886 CV     1
 OR {  189}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 11   and name HB1 ))
 ASSI {  191}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 25   and name HB1 ))
      3.400     1.500     1.500 peak   191 weight  0.10000E+01 volume  0.82986E-03 ppm1      4.562 ppm2      1.767 CV     1
 OR {  191}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 30   and name HB1 ))
 ASSI {  205}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 25   and name HB1 ))
      3.400     1.400     1.400 peak   205 weight  0.10000E+01 volume  0.10762E-02 ppm1      4.550 ppm2      1.792 CV     1
 OR {  205}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 25   and name HB1 ))
 ASSI {  208}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 25   and name HD2 ))
      3.000     1.100     1.100 peak   208 weight  0.10000E+01 volume  0.11670E-02 ppm1      4.552 ppm2      1.636 CV     1
 OR {  208}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 25   and name HD2 ))
 ASSI {  209}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 25   and name HG2 ))
      3.800     1.800     1.800 peak   209 weight  0.10000E+01 volume  0.98545E-03 ppm1      4.550 ppm2      1.399 CV     1
 OR {  209}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 25   and name HG2 ))
 ASSI {  238}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 11   and name HG1 ))
      2.600     0.800     0.800 peak   238 weight  0.10000E+01 volume  0.96339E-02 ppm1      4.285 ppm2      1.634 CV     1
 OR {  238}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 9    and name HG1 ))
 ASSI {  244}
   (( segid "B   " and resid 21   and name HA  ))
   (( segid "B   " and resid 22   and name HB2 ))
      3.500     1.500     1.500 peak   244 weight  0.10000E+01 volume  0.18412E-02 ppm1      4.257 ppm2      1.996 CV     1
 OR {  244}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 22   and name HB2 ))
 ASSI {  262}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 8    and name HB1 ))
      2.200     0.600     0.600 peak   262 weight  0.10000E+01 volume  0.10697E-01 ppm1      4.233 ppm2      1.796 CV     1
 OR {  262}
   (( segid "B   " and resid 21   and name HA  ))
   (( segid "B   " and resid 21   and name HB2 ))
 ASSI {  265}
   (( segid "B   " and resid 21   and name HA  ))
   (( segid "B   " and resid 24   and name HB3 ))
      2.400     0.700     0.700 peak   265 weight  0.10000E+01 volume  0.79354E-02 ppm1      4.234 ppm2      1.394 CV     1
 OR {  265}
   (( segid "B   " and resid 21   and name HA  ))
   (( segid "B   " and resid 21   and name HG1 ))
 OR {  265}
   (( segid "B   " and resid 21   and name HA  ))
   (( segid "B   " and resid 24   and name HB2 ))
 ASSI {  291}
   (( segid "B   " and resid 30   and name HA  ))
   (( segid "B   " and resid 30   and name HG1 ))
      2.300     0.700     0.700 peak   291 weight  0.10000E+01 volume  0.10827E-01 ppm1      4.182 ppm2      1.545 CV     1
 OR {  291}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 3    and name HD1 ))
 ASSI {  343}
   (( segid "B   " and resid 20   and name HD2 ))
   (( segid "B   " and resid 20   and name HB2 ))
      2.200     0.600     0.600 peak   343 weight  0.10000E+01 volume  0.49271E-02 ppm1      3.204 ppm2      1.911 CV     1
 OR {  343}
   (( segid "A   " and resid 11   and name HE  ))
   (( segid "A   " and resid 11   and name HB1 ))
 ASSI {  369}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 15   and name HD12))
      4.100     2.100     1.900 peak   369 weight  0.10000E+01 volume  0.80392E-03 ppm1      4.031 ppm2      0.847 CV     1
 OR {  369}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 14   and name HD13))
 OR {  369}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 14   and name HD12))
 OR {  369}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 15   and name HD13))
 OR {  369}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  429}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 3    and name HA  ))
      3.900     3.900     2.100 peak   429 weight  0.10000E+01 volume  0.95952E-03 ppm1      4.509 ppm2      4.178 CV     1
 OR {  429}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 8    and name HA  ))
 ASSI {  446}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 27   and name HA  ))
      4.100     2.100     1.900 peak   446 weight  0.10000E+01 volume  0.54460E-03 ppm1      7.264 ppm2      4.132 CV     1
 OR {  446}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 25   and name HA  ))
 ASSI {  626}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 19   and name HB2 ))
      4.300     2.300     1.700 peak   626 weight  0.10000E+01 volume  0.55757E-03 ppm1      4.238 ppm2      2.777 CV     1
 OR {  626}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 10   and name HB2 ))
 ASSI {  640}
   (( segid "A   " and resid 11   and name HA  ))
   (  segid "B   " and resid 15   and name HG1%)
      4.600     2.600     1.400 peak   640 weight  0.10000E+01 volume  0.66130E-03 ppm1      4.297 ppm2      1.146 CV     1
 OR {  640}
   (( segid "B   " and resid 20   and name HA  ))
   (  segid "B   " and resid 17   and name HG1%)
 ASSI {  716}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 25   and name HD2 ))
      3.700     1.700     1.700 peak   716 weight  0.10000E+01 volume  0.76503E-03 ppm1      2.280 ppm2      1.624 CV     1
 OR {  716}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 30   and name HG1 ))
 ASSI {  729}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.900     1.900     1.900 peak   729 weight  0.10000E+01 volume  0.72613E-03 ppm1      2.359 ppm2      1.725 CV     1
 OR {  729}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HB1 ))
 ASSI {  743}
   (( segid "B   " and resid 19   and name HB1 ))
   (( segid "B   " and resid 20   and name HB2 ))
      4.500     2.500     1.500 peak   743 weight  0.10000E+01 volume  0.41492E-03 ppm1      2.728 ppm2      1.934 CV     1
 OR {  743}
   (( segid "B   " and resid 19   and name HB1 ))
   (( segid "B   " and resid 22   and name HB2 ))
 ASSI {  808}
   (( segid "B   " and resid 22   and name HG2 ))
   (( segid "B   " and resid 21   and name HB2 ))
      3.300     1.400     1.400 peak   808 weight  0.10000E+01 volume  0.71316E-03 ppm1      2.123 ppm2      1.832 CV     1
 OR {  808}
   (( segid "B   " and resid 28   and name HB1 ))
   (( segid "B   " and resid 32   and name HB1 ))
 ASSI {  868}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "B   " and resid 22   and name HG1 ))
      4.100     2.100     1.900 peak   868 weight  0.10000E+01 volume  0.71316E-03 ppm1      4.298 ppm2      2.256 CV     1
 OR {  868}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 22   and name HG1 ))
 ASSI {  268}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 14   and name HA  ))
      2.500     0.800     0.800 peak   268 weight  0.10000E+01 volume  0.33980E-02 ppm1      8.389 ppm2      4.404 CV     1
 OR {  268}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 13   and name HA  ))
 ASSI {   12}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 19   and name HA  ))
      2.700     0.900     0.900 peak    12 weight  0.10000E+01 volume  0.29395E-02 ppm1      8.236 ppm2      4.626 CV     1
 OR {   12}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 18   and name HA  ))
 ASSI {   14}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 19   and name HA  ))
      2.700     0.900     0.900 peak    14 weight  0.10000E+01 volume  0.26700E-02 ppm1      8.137 ppm2      4.622 CV     1
 OR {   14}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 18   and name HA  ))
 ASSI {   29}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 29   and name HA  ))
      2.400     0.700     0.700 peak    29 weight  0.10000E+01 volume  0.56365E-02 ppm1      8.228 ppm2      4.170 CV     1
 OR {   29}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 28   and name HA  ))
 ASSI {   33}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 15   and name HA  ))
      2.300     0.600     0.600 peak    33 weight  0.10000E+01 volume  0.90884E-02 ppm1      8.130 ppm2      4.207 CV     1
 OR {   33}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 8    and name HA  ))
 ASSI {   34}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 22   and name HA  ))
      2.400     0.700     0.700 peak    34 weight  0.10000E+01 volume  0.60141E-02 ppm1      8.085 ppm2      4.214 CV     1
 OR {   34}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 21   and name HA  ))
 ASSI {   37}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 30   and name HA  ))
      2.500     2.500     3.500 peak    37 weight  0.10000E+01 volume  0.50970E-02 ppm1      8.016 ppm2      4.175 CV     1
 OR {   37}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 30   and name HA  ))
 ASSI {   39}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HA  ))
      2.400     0.700     0.700 peak    39 weight  0.10000E+01 volume  0.48273E-02 ppm1      7.938 ppm2      4.213 CV     1
 OR {   39}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 31   and name HA  ))
 ASSI {   40}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak    40 weight  0.10000E+01 volume  0.42880E-02 ppm1      7.939 ppm2      4.176 CV     1
 OR {   40}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 30   and name HA  ))
 ASSI {   89}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 14   and name HB2 ))
      2.800     0.900     0.900 peak    89 weight  0.10000E+01 volume  0.42070E-02 ppm1      8.390 ppm2      1.596 CV     1
 OR {   89}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 13   and name HB2 ))
 ASSI {  103}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 30   and name HB2 ))
      2.500     0.800     0.800 peak   103 weight  0.10000E+01 volume  0.25890E-02 ppm1      8.067 ppm2      1.803 CV     1
 OR {  103}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 30   and name HB2 ))
 ASSI {  104}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 30   and name HB1 ))
      2.700     0.900     0.900 peak   104 weight  0.10000E+01 volume  0.34790E-02 ppm1      8.066 ppm2      1.739 CV     1
 OR {  104}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 30   and name HB1 ))
 ASSI {  106}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 25   and name HG2 ))
      3.100     1.200     1.200 peak   106 weight  0.10000E+01 volume  0.37217E-02 ppm1      8.061 ppm2      1.413 CV     1
 OR {  106}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 24   and name HB2 ))
 OR {  106}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 24   and name HB1 ))
 ASSI {  142}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 25   and name HD1 ))
      3.200     3.200     2.800 peak   142 weight  0.10000E+01 volume  0.18608E-02 ppm1      7.247 ppm2      1.613 CV     1
 OR {  142}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 34   and name HD2 ))
 ASSI {  148}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 22   and name HA  ))
      2.400     0.700     0.700 peak   148 weight  0.10000E+01 volume  0.66343E-02 ppm1      8.265 ppm2      4.214 CV     1
 OR {  148}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 21   and name HA  ))
 ASSI {  174}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 23   and name HA  ))
      3.300     3.300     2.700 peak   174 weight  0.10000E+01 volume  0.23463E-02 ppm1      7.344 ppm2      4.540 CV     1
 OR {  174}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 26   and name HA  ))
 ASSI {  178}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 23   and name HA  ))
      2.700     0.900     0.900 peak   178 weight  0.10000E+01 volume  0.55017E-02 ppm1      7.243 ppm2      4.540 CV     1
 OR {  178}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 26   and name HA  ))
 ASSI {  187}
   (  segid "A   " and resid 7    and name HE% )
   (  segid "A   " and resid 7    and name HD% )
      1.400     0.300     0.800 peak   187 weight  0.10000E+01 volume  0.93768E-01 ppm1      7.344 ppm2      7.222 CV     1
 OR {  187}
   (  segid "B   " and resid 26   and name HE% )
   (  segid "B   " and resid 26   and name HD% )
 ASSI {  206}
   (( segid "B   " and resid 27   and name HN  ))
   (( segid "B   " and resid 26   and name HN  ))
      2.400     0.700     0.700 peak   206 weight  0.10000E+01 volume  0.18878E-02 ppm1      8.196 ppm2      8.056 CV     1
 OR {  206}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 26   and name HN  ))
 ASSI {  209}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 8    and name HN  ))
      2.400     0.700     0.700 peak   209 weight  0.10000E+01 volume  0.33709E-02 ppm1      8.126 ppm2      7.991 CV     1
 OR {  209}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 7    and name HN  ))
 ASSI {  212}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 36   and name HN  ))
      2.300     0.700     0.700 peak   212 weight  0.10000E+01 volume  0.52048E-02 ppm1      7.979 ppm2      8.023 CV     1
 OR {  212}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 34   and name HN  ))
 ASSI {  214}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak   214 weight  0.10000E+01 volume  0.30205E-02 ppm1      7.939 ppm2      8.059 CV     1
 OR {  214}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 30   and name HN  ))
 ASSI {  383}
   (( segid "A   " and resid 6    and name HB1 ))
   (( segid "A   " and resid 10   and name HB2 ))
      3.200     1.300     1.300 peak   383 weight  0.10000E+01 volume  0.15642E-02 ppm1      2.966 ppm2      2.736 CV     1
 OR {  383}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 10   and name HB2 ))
 ASSI {  403}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 26   and name HB2 ))
      3.800     1.800     1.800 peak   403 weight  0.10000E+01 volume  0.12405E-02 ppm1      2.386 ppm2      3.130 CV     1
 OR {  403}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 26   and name HB2 ))
 ASSI {  433}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 27   and name HG1 ))
      2.400     2.400     3.600 peak   433 weight  0.10000E+01 volume  0.10518E-02 ppm1      8.060 ppm2      2.386 CV     1
 OR {  433}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 27   and name HG1 ))
 ASSI {  458}
   (( segid "B   " and resid 17   and name HN  ))
   (  segid "B   " and resid 17   and name HG1%)
      4.000     2.000     2.000 peak   458 weight  0.10000E+01 volume  0.86299E-03 ppm1      8.020 ppm2      1.112 CV     1
 OR {  458}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 16   and name HG21))
 OR {  458}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 16   and name HG22))
 ASSI {    7}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 7    and name HA  ))
      2.100     0.600     0.600 peak     7 weight  0.10000E+01 volume  0.12810E-01 ppm1      7.991 ppm2      4.531 CV     1
 OR {    7}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 36   and name HA  ))
 OR {    7}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 6    and name HA  ))
 OR {    7}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 23   and name HA  ))
 ASSI {   31}
   (( segid "B   " and resid 27   and name HN  ))
   (( segid "B   " and resid 27   and name HA  ))
      2.700     0.900     0.900 peak    31 weight  0.10000E+01 volume  0.33709E-02 ppm1      8.187 ppm2      4.142 CV     1
 OR {   31}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 28   and name HA  ))
 OR {   31}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 25   and name HA  ))
 OR {   31}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 29   and name HA  ))
 OR {   31}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 28   and name HA  ))
 OR {   31}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 27   and name HA  ))
 OR {   31}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 27   and name HA  ))
 ASSI {   35}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak    35 weight  0.10000E+01 volume  0.60409E-02 ppm1      8.066 ppm2      4.221 CV     1
 OR {   35}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 30   and name HA  ))
 OR {   35}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 33   and name HA  ))
 OR {   35}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 22   and name HA  ))
 OR {   35}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 29   and name HA  ))
 OR {   35}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 21   and name HA  ))
 OR {   35}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 24   and name HA  ))
 OR {   35}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 30   and name HA  ))
 OR {   35}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 34   and name HA  ))
 OR {   35}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 28   and name HA  ))
 ASSI {   36}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 16   and name HB  ))
      2.500     0.800     0.800 peak    36 weight  0.10000E+01 volume  0.56634E-02 ppm1      8.063 ppm2      4.172 CV     1
 OR {   36}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 34   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 31   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 30   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 27   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 27   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 33   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 22   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 29   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 33   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 24   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 25   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 30   and name HA  ))
 OR {   36}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 31   and name HA  ))
 ASSI {   38}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 33   and name HA  ))
      2.100     0.500     0.500 peak    38 weight  0.10000E+01 volume  0.12864E-01 ppm1      8.001 ppm2      4.212 CV     1
 OR {   38}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 16   and name HB  ))
 OR {   38}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 8    and name HA  ))
 OR {   38}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 34   and name HA  ))
 OR {   38}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 24   and name HA  ))
 OR {   38}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 21   and name HA  ))
 OR {   38}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 33   and name HA  ))
 OR {   38}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 29   and name HA  ))
 OR {   38}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 33   and name HA  ))
 OR {   38}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 34   and name HA  ))
 OR {   38}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 32   and name HA  ))
 OR {   38}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 31   and name HA  ))
 ASSI {   48}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HA  ))
      2.600     0.800     0.800 peak    48 weight  0.10000E+01 volume  0.40183E-02 ppm1      7.940 ppm2      4.240 CV     1
 OR {   48}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 31   and name HA  ))
 OR {   48}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 34   and name HA  ))
 OR {   48}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 32   and name HA  ))
 ASSI {   56}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
      2.900     1.000     1.000 peak    56 weight  0.10000E+01 volume  0.26429E-02 ppm1      8.026 ppm2      3.085 CV     1
 OR {   56}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
 OR {   56}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 26   and name HB2 ))
 OR {   56}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 23   and name HB2 ))
 ASSI {   58}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
      2.700     0.900     0.900 peak    58 weight  0.10000E+01 volume  0.29127E-02 ppm1      8.023 ppm2      3.155 CV     1
 OR {   58}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 26   and name HB1 ))
 OR {   58}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 23   and name HB1 ))
 OR {   58}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
 OR {   58}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 26   and name HB2 ))
 ASSI {   76}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 20   and name HB2 ))
      2.200     0.600     0.600 peak    76 weight  0.10000E+01 volume  0.49621E-02 ppm1      8.202 ppm2      1.900 CV     1
 OR {   76}
   (( segid "B   " and resid 27   and name HN  ))
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {   77}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.300     1.300     1.300 peak    77 weight  0.10000E+01 volume  0.15911E-02 ppm1      8.203 ppm2      1.870 CV     1
 OR {   77}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
 ASSI {   83}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.700     1.700     1.700 peak    83 weight  0.10000E+01 volume  0.16451E-02 ppm1      8.077 ppm2      1.861 CV     1
 OR {   83}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
 ASSI {   85}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.400     1.500     1.500 peak    85 weight  0.10000E+01 volume  0.18608E-02 ppm1      8.067 ppm2      1.837 CV     1
 OR {   85}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
 OR {   85}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 21   and name HB2 ))
 ASSI {  105}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 25   and name HD1 ))
      3.400     1.400     1.400 peak   105 weight  0.10000E+01 volume  0.15642E-02 ppm1      8.064 ppm2      1.662 CV     1
 OR {  105}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 34   and name HD2 ))
 OR {  105}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 14   and name HB2 ))
 OR {  105}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 34   and name HD2 ))
 ASSI {  111}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 34   and name HD2 ))
      3.700     1.700     1.700 peak   111 weight  0.10000E+01 volume  0.17799E-02 ppm1      8.012 ppm2      1.596 CV     1
 OR {  111}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 34   and name HD2 ))
 OR {  111}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 32   and name HG2 ))
 OR {  111}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 14   and name HB2 ))
 OR {  111}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 25   and name HD1 ))
 ASSI {  119}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 32   and name HB1 ))
      2.900     1.000     1.000 peak   119 weight  0.10000E+01 volume  0.15642E-02 ppm1      7.987 ppm2      1.815 CV     1
 OR {  119}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
 OR {  119}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 17   and name HB  ))
 OR {  119}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
 OR {  119}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HB1 ))
 ASSI {  126}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 31   and name HB1 ))
      2.700     0.900     0.900 peak   126 weight  0.10000E+01 volume  0.39644E-02 ppm1      7.939 ppm2      1.417 CV     1
 OR {  126}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  139}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 30   and name HG2 ))
      3.300     1.300     1.300 peak   139 weight  0.10000E+01 volume  0.15642E-02 ppm1      7.340 ppm2      1.609 CV     1
 OR {  139}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 25   and name HD1 ))
 ASSI {  155}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 30   and name HB2 ))
      3.000     1.100     1.100 peak   155 weight  0.10000E+01 volume  0.18069E-02 ppm1      7.245 ppm2      1.748 CV     1
 OR {  155}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 30   and name HB1 ))
 OR {  155}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 3    and name HB1 ))
 OR {  155}
   (( segid "B   " and resid 30   and name HH21))
   (( segid "B   " and resid 30   and name HB1 ))
 OR {  155}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HB1 ))
 OR {  155}
   (( segid "B   " and resid 30   and name HH21))
   (( segid "B   " and resid 30   and name HB2 ))
 ASSI {  166}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 7    and name HB1 ))
      2.300     0.700     0.700 peak   166 weight  0.10000E+01 volume  0.60141E-02 ppm1      7.243 ppm2      3.170 CV     1
 OR {  166}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 23   and name HB1 ))
 OR {  166}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 26   and name HB1 ))
 OR {  166}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 11   and name HE  ))
 ASSI {  169}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 23   and name HB1 ))
      2.700     0.900     0.900 peak   169 weight  0.10000E+01 volume  0.32902E-02 ppm1      7.206 ppm2      3.185 CV     1
 OR {  169}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 26   and name HB1 ))
 OR {  169}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 11   and name HE  ))
 ASSI {  170}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 7    and name HB1 ))
      2.400     0.700     0.700 peak   170 weight  0.10000E+01 volume  0.29666E-02 ppm1      7.194 ppm2      3.128 CV     1
 OR {  170}
   (( segid "B   " and resid 30   and name HH21))
   (( segid "B   " and resid 30   and name HD2 ))
 ASSI {  171}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 7    and name HB1 ))
      3.400     1.400     1.400 peak   171 weight  0.10000E+01 volume  0.19417E-02 ppm1      7.187 ppm2      3.158 CV     1
 OR {  171}
   (( segid "B   " and resid 35   and name HZ3 ))
   (( segid "B   " and resid 32   and name HD2 ))
 OR {  171}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 11   and name HE  ))
 ASSI {  175}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HA  ))
      2.700     0.900     0.900 peak   175 weight  0.10000E+01 volume  0.16181E-02 ppm1      7.338 ppm2      4.220 CV     1
 OR {  175}
   (  segid "A   " and resid 6    and name HE% )
   (( segid "A   " and resid 3    and name HA  ))
 ASSI {  179}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HA  ))
      2.700     0.900     0.900 peak   179 weight  0.10000E+01 volume  0.19957E-02 ppm1      7.243 ppm2      4.167 CV     1
 OR {  179}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HA  ))
 OR {  179}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 24   and name HA  ))
 OR {  179}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 27   and name HA  ))
 OR {  179}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "A   " and resid 8    and name HA  ))
 OR {  179}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 24   and name HA  ))
 OR {  179}
   (( segid "B   " and resid 35   and name HH2 ))
   (( segid "B   " and resid 32   and name HA  ))
 OR {  179}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 15   and name HA  ))
 OR {  179}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HA  ))
 ASSI {  181}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 35   and name HA  ))
      3.200     1.200     1.200 peak   181 weight  0.10000E+01 volume  0.27239E-02 ppm1      7.254 ppm2      4.693 CV     1
 OR {  181}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 10   and name HA  ))
 ASSI {  190}
   (  segid "B   " and resid 23   and name HE% )
   (  segid "B   " and resid 23   and name HD% )
      1.700     0.400     0.500 peak   190 weight  0.10000E+01 volume  0.45928E-01 ppm1      7.344 ppm2      7.244 CV     1
 OR {  190}
   (  segid "B   " and resid 26   and name HE% )
   (  segid "B   " and resid 26   and name HD% )
 OR {  190}
   (  segid "A   " and resid 6    and name HE% )
   (( segid "A   " and resid 6    and name HZ  ))
 ASSI {  218}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 29   and name HN  ))
      2.500     0.800     0.800 peak   218 weight  0.10000E+01 volume  0.24541E-02 ppm1      8.076 ppm2      8.243 CV     1
 OR {  218}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 22   and name HN  ))
 ASSI {  264}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 32   and name HN  ))
      3.800     1.800     1.800 peak   264 weight  0.10000E+01 volume  0.10518E-02 ppm1      8.196 ppm2      7.932 CV     1
 OR {  264}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 32   and name HN  ))
 ASSI {  265}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 4    and name HN  ))
      3.100     1.200     1.200 peak   265 weight  0.10000E+01 volume  0.88997E-03 ppm1      8.245 ppm2      7.826 CV     1
 OR {  265}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 2    and name HN  ))
 ASSI {  277}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD11))
      3.800     1.800     1.800 peak   277 weight  0.10000E+01 volume  0.11596E-02 ppm1      7.325 ppm2      0.822 CV     1
 OR {  277}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  286}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 15   and name HG21))
      3.400     1.500     1.500 peak   286 weight  0.10000E+01 volume  0.11596E-02 ppm1      7.248 ppm2      0.829 CV     1
 OR {  286}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 15   and name HD11))
 OR {  286}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  286}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  288}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 15   and name HG21))
      3.300     1.300     1.300 peak   288 weight  0.10000E+01 volume  0.13754E-02 ppm1      7.245 ppm2      0.868 CV     1
 OR {  288}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  290}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 15   and name HD11))
      3.500     1.600     1.600 peak   290 weight  0.10000E+01 volume  0.14024E-02 ppm1      7.245 ppm2      0.810 CV     1
 OR {  290}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  290}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  291}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 15   and name HG21))
      3.600     1.600     1.600 peak   291 weight  0.10000E+01 volume  0.78209E-03 ppm1      7.236 ppm2      0.892 CV     1
 OR {  291}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 14   and name HD11))
 ASSI {  301}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HA  ))
      3.800     1.800     1.800 peak   301 weight  0.10000E+01 volume  0.83602E-03 ppm1      7.300 ppm2      4.257 CV     1
 OR {  301}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "A   " and resid 11   and name HA  ))
 OR {  301}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "A   " and resid 8    and name HA  ))
 OR {  301}
   (( segid "B   " and resid 35   and name HH2 ))
   (( segid "B   " and resid 32   and name HA  ))
 OR {  301}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HA  ))
 ASSI {  302}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HA  ))
      2.900     1.100     1.100 peak   302 weight  0.10000E+01 volume  0.11327E-02 ppm1      7.295 ppm2      4.216 CV     1
 OR {  302}
   (  segid "A   " and resid 6    and name HE% )
   (( segid "A   " and resid 3    and name HA  ))
 OR {  302}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HA  ))
 OR {  302}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 24   and name HA  ))
 OR {  302}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HA  ))
 ASSI {  303}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HA  ))
      3.100     1.200     1.200 peak   303 weight  0.10000E+01 volume  0.70119E-03 ppm1      7.292 ppm2      4.146 CV     1
 OR {  303}
   (  segid "A   " and resid 6    and name HE% )
   (( segid "A   " and resid 3    and name HA  ))
 OR {  303}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 15   and name HA  ))
 ASSI {  309}
   (  segid "B   " and resid 15   and name HG1%)
   (  segid "A   " and resid 7    and name HE% )
      4.500     2.600     1.500 peak   309 weight  0.10000E+01 volume  0.56634E-03 ppm1      1.122 ppm2      7.351 CV     1
 OR {  309}
   (( segid "A   " and resid 3    and name HG2 ))
   (  segid "A   " and resid 7    and name HE% )
 ASSI {  311}
   (  segid "B   " and resid 15   and name HG1%)
   (( segid "B   " and resid 15   and name HD11))
      2.800     1.000     1.000 peak   311 weight  0.10000E+01 volume  0.18339E-02 ppm1      1.125 ppm2      0.787 CV     1
 OR {  311}
   (  segid "B   " and resid 17   and name HG1%)
   (( segid "B   " and resid 17   and name HD11))
 ASSI {  314}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 6    and name HA  ))
      3.900     1.900     1.900 peak   314 weight  0.10000E+01 volume  0.10248E-02 ppm1      7.236 ppm2      4.467 CV     1
 OR {  314}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 14   and name HA  ))
 ASSI {  316}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 13   and name HA  ))
      4.400     2.400     1.600 peak   316 weight  0.10000E+01 volume  0.80907E-03 ppm1      7.131 ppm2      4.427 CV     1
 OR {  316}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 14   and name HA  ))
 ASSI {  318}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 7    and name HB1 ))
      4.000     2.000     2.000 peak   318 weight  0.10000E+01 volume  0.70119E-03 ppm1      7.103 ppm2      3.119 CV     1
 OR {  318}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 9    and name HD1 ))
 OR {  318}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 7    and name HB1 ))
 ASSI {  335}
   (( segid "A   " and resid 3    and name HG2 ))
   (( segid "B   " and resid 15   and name HB  ))
      4.500     2.600     1.500 peak   335 weight  0.10000E+01 volume  0.78209E-03 ppm1      1.051 ppm2      1.800 CV     1
 OR {  335}
   (( segid "A   " and resid 3    and name HG2 ))
   (( segid "A   " and resid 8    and name HB2 ))
 ASSI {  343}
   (  segid "A   " and resid 4    and name HG2%)
   (( segid "B   " and resid 19   and name HA  ))
      3.700     1.700     1.700 peak   343 weight  0.10000E+01 volume  0.97087E-03 ppm1      0.957 ppm2      4.603 CV     1
 OR {  343}
   (( segid "B   " and resid 14   and name HD11))
   (( segid "B   " and resid 18   and name HA  ))
 OR {  343}
   (( segid "B   " and resid 14   and name HD11))
   (( segid "B   " and resid 19   and name HA  ))
 OR {  343}
   (  segid "A   " and resid 4    and name HG1%)
   (( segid "B   " and resid 19   and name HA  ))
 ASSI {  344}
   (( segid "B   " and resid 14   and name HD11))
   (( segid "B   " and resid 18   and name HB2 ))
      4.000     2.000     2.000 peak   344 weight  0.10000E+01 volume  0.78209E-03 ppm1      0.963 ppm2      3.269 CV     1
 OR {  344}
   (  segid "A   " and resid 4    and name HG2%)
   (( segid "A   " and resid 2    and name HB2 ))
 OR {  344}
   (( segid "B   " and resid 14   and name HD21))
   (( segid "B   " and resid 18   and name HB2 ))
 ASSI {  358}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 19   and name HB2 ))
      4.200     2.200     1.800 peak   358 weight  0.10000E+01 volume  0.59331E-03 ppm1      7.901 ppm2      2.755 CV     1
 OR {  358}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 10   and name HB2 ))
 ASSI {  364}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "A   " and resid 7    and name HB1 ))
      2.900     1.000     1.000 peak   364 weight  0.10000E+01 volume  0.10518E-02 ppm1      0.839 ppm2      3.149 CV     1
 OR {  364}
   (( segid "B   " and resid 15   and name HD11))
   (( segid "A   " and resid 7    and name HB1 ))
 OR {  364}
   (( segid "B   " and resid 17   and name HD11))
   (( segid "B   " and resid 20   and name HD2 ))
 ASSI {  365}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 19   and name HB2 ))
      3.700     1.700     1.700 peak   365 weight  0.10000E+01 volume  0.11596E-02 ppm1      1.796 ppm2      2.782 CV     1
 OR {  365}
   (( segid "A   " and resid 8    and name HB2 ))
   (( segid "B   " and resid 19   and name HB2 ))
 OR {  365}
   (( segid "A   " and resid 9    and name HB1 ))
   (( segid "A   " and resid 10   and name HB2 ))
 ASSI {  379}
   (( segid "B   " and resid 32   and name HG2 ))
   (( segid "B   " and resid 28   and name HB2 ))
      3.400     1.400     1.400 peak   379 weight  0.10000E+01 volume  0.11057E-02 ppm1      1.681 ppm2      2.087 CV     1
 OR {  379}
   (( segid "A   " and resid 3    and name HB1 ))
   (( segid "A   " and resid 4    and name HB  ))
 ASSI {  389}
   (( segid "B   " and resid 21   and name HG2 ))
   (( segid "B   " and resid 22   and name HG2 ))
      4.100     2.100     1.900 peak   389 weight  0.10000E+01 volume  0.94389E-03 ppm1      1.368 ppm2      2.169 CV     1
 OR {  389}
   (( segid "A   " and resid 8    and name HG1 ))
   (( segid "B   " and resid 22   and name HG2 ))
 ASSI {  409}
   (( segid "B   " and resid 34   and name HG2 ))
   (( segid "B   " and resid 31   and name HA  ))
      2.000     0.500     0.500 peak   409 weight  0.10000E+01 volume  0.10922E-01 ppm1      1.294 ppm2      4.219 CV     1
 OR {  409}
   (( segid "B   " and resid 34   and name HG2 ))
   (( segid "B   " and resid 34   and name HA  ))
 ASSI {  413}
   (( segid "B   " and resid 24   and name HB1 ))
   (( segid "B   " and resid 24   and name HA  ))
      2.100     0.600     0.600 peak   413 weight  0.10000E+01 volume  0.10005E-01 ppm1      1.418 ppm2      4.251 CV     1
 OR {  413}
   (( segid "B   " and resid 21   and name HG2 ))
   (( segid "B   " and resid 21   and name HA  ))
 OR {  413}
   (( segid "B   " and resid 24   and name HB1 ))
   (( segid "B   " and resid 21   and name HA  ))
 ASSI {  414}
   (( segid "B   " and resid 24   and name HB1 ))
   (( segid "B   " and resid 24   and name HA  ))
      2.400     0.700     0.700 peak   414 weight  0.10000E+01 volume  0.69038E-02 ppm1      1.419 ppm2      4.174 CV     1
 OR {  414}
   (( segid "B   " and resid 31   and name HB1 ))
   (( segid "B   " and resid 31   and name HA  ))
 OR {  414}
   (( segid "B   " and resid 25   and name HG2 ))
   (( segid "B   " and resid 25   and name HA  ))
 ASSI {  415}
   (( segid "B   " and resid 24   and name HB1 ))
   (( segid "B   " and resid 24   and name HA  ))
      2.500     0.800     0.800 peak   415 weight  0.10000E+01 volume  0.51509E-02 ppm1      1.419 ppm2      4.210 CV     1
 OR {  415}
   (( segid "B   " and resid 31   and name HB1 ))
   (( segid "B   " and resid 31   and name HA  ))
 OR {  415}
   (( segid "B   " and resid 21   and name HG2 ))
   (( segid "B   " and resid 21   and name HA  ))
 OR {  415}
   (( segid "B   " and resid 25   and name HG2 ))
   (( segid "B   " and resid 25   and name HA  ))
 ASSI {  418}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 26   and name HB1 ))
      3.200     1.300     1.300 peak   418 weight  0.10000E+01 volume  0.13215E-02 ppm1      7.293 ppm2      3.183 CV     1
 OR {  418}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 18   and name HB1 ))
 OR {  418}
   (( segid "B   " and resid 35   and name HH2 ))
   (( segid "B   " and resid 32   and name HD2 ))
 OR {  418}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HD2 ))
 ASSI {  424}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 27   and name HB1 ))
      4.000     2.000     2.000 peak   424 weight  0.10000E+01 volume  0.97087E-03 ppm1      7.335 ppm2      1.907 CV     1
 OR {  424}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 11   and name HB2 ))
 OR {  424}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HB1 ))
 OR {  424}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 20   and name HB2 ))
 ASSI {  426}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 25   and name HD1 ))
      3.000     1.200     1.200 peak   426 weight  0.10000E+01 volume  0.11866E-02 ppm1      7.292 ppm2      1.593 CV     1
 OR {  426}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 14   and name HG  ))
 OR {  426}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 30   and name HG2 ))
 OR {  426}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HG2 ))
 OR {  426}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HG2 ))
 ASSI {  446}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 19   and name HB2 ))
      4.100     2.100     1.900 peak   446 weight  0.10000E+01 volume  0.72814E-03 ppm1      8.011 ppm2      2.762 CV     1
 OR {  446}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 10   and name HB2 ))
 OR {  446}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 10   and name HB2 ))
 ASSI {  447}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 23   and name HB2 ))
      4.000     2.000     2.000 peak   447 weight  0.10000E+01 volume  0.83602E-03 ppm1      7.994 ppm2      3.048 CV     1
 OR {  447}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 6    and name HB1 ))
 ASSI {  450}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HE  ))
      4.100     2.100     1.900 peak   450 weight  0.10000E+01 volume  0.70119E-03 ppm1      8.258 ppm2      3.252 CV     1
 OR {  450}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 18   and name HB1 ))
 OR {  450}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HD2 ))
 OR {  450}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 18   and name HB1 ))
 OR {  450}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 18   and name HB2 ))
 ASSI {  451}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 23   and name HB1 ))
      3.600     1.600     1.600 peak   451 weight  0.10000E+01 volume  0.83602E-03 ppm1      8.019 ppm2      3.227 CV     1
 OR {  451}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 18   and name HB1 ))
 ASSI {  452}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HD2 ))
      3.600     1.600     1.600 peak   452 weight  0.10000E+01 volume  0.14833E-02 ppm1      7.938 ppm2      3.158 CV     1
 OR {  452}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
 OR {  452}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 32   and name HD2 ))
 OR {  452}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "A   " and resid 11   and name HE  ))
 ASSI {  457}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 17   and name HG21))
      3.600     1.600     1.600 peak   457 weight  0.10000E+01 volume  0.12675E-02 ppm1      8.017 ppm2      0.863 CV     1
 OR {  457}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  459}
   (( segid "B   " and resid 17   and name HN  ))
   (  segid "B   " and resid 17   and name HG1%)
      4.400     2.400     1.600 peak   459 weight  0.10000E+01 volume  0.59331E-03 ppm1      8.017 ppm2      1.188 CV     1
 OR {  459}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 16   and name HG21))
 OR {  459}
   (( segid "A   " and resid 8    and name HN  ))
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {   18}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 7    and name HA  ))
      2.200     0.600     0.600 peak    18 weight  0.10000E+01 volume  0.77022E-02 ppm1      7.243 ppm2      4.549 CV     1
 OR {   18}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 23   and name HA  ))
 OR {   18}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 26   and name HA  ))
 ASSI {   20}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 36   and name HA  ))
      3.700     1.700     1.700 peak    20 weight  0.10000E+01 volume  0.64833E-03 ppm1      7.243 ppm2      4.486 CV     1
 OR {   20}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HA  ))
 ASSI {   53}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 27   and name HG1 ))
      3.300     1.400     1.400 peak    53 weight  0.10000E+01 volume  0.88172E-03 ppm1      7.361 ppm2      2.425 CV     1
 OR {   53}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HG1 ))
 ASSI {   58}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 27   and name HB1 ))
      4.200     2.200     1.800 peak    58 weight  0.10000E+01 volume  0.63536E-03 ppm1      7.360 ppm2      1.973 CV     1
 OR {   58}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {   61}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 30   and name HB2 ))
      3.800     1.800     1.800 peak    61 weight  0.10000E+01 volume  0.11670E-02 ppm1      7.358 ppm2      1.819 CV     1
 OR {   61}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 15   and name HB  ))
 ASSI {   68}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 24   and name HB1 ))
      3.600     1.600     1.600 peak    68 weight  0.10000E+01 volume  0.14522E-02 ppm1      7.359 ppm2      1.394 CV     1
 OR {   68}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 12   and name HG2 ))
 OR {   68}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 31   and name HB1 ))
 OR {   68}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 24   and name HB1 ))
 ASSI {   85}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 18   and name HB1 ))
      3.200     1.300     1.300 peak    85 weight  0.10000E+01 volume  0.18153E-02 ppm1      7.321 ppm2      3.192 CV     1
 OR {   85}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 11   and name HE  ))
 OR {   85}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 23   and name HB1 ))
 OR {   85}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 26   and name HB1 ))
 OR {   85}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HD2 ))
 ASSI {   86}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 7    and name HB1 ))
      3.900     1.900     1.900 peak    86 weight  0.10000E+01 volume  0.11670E-02 ppm1      7.323 ppm2      3.128 CV     1
 OR {   86}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 26   and name HB2 ))
 OR {   86}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 26   and name HB1 ))
 OR {   86}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HD2 ))
 ASSI {   92}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 27   and name HB2 ))
      3.500     1.500     1.500 peak    92 weight  0.10000E+01 volume  0.20228E-02 ppm1      7.324 ppm2      2.049 CV     1
 OR {   92}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HB2 ))
 OR {   92}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 4    and name HB  ))
 ASSI {   93}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 22   and name HB2 ))
      4.100     2.100     1.900 peak    93 weight  0.10000E+01 volume  0.66130E-03 ppm1      7.324 ppm2      1.982 CV     1
 OR {   93}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 27   and name HB1 ))
 OR {   93}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 27   and name HB2 ))
 OR {   93}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HB2 ))
 ASSI {   94}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 27   and name HB1 ))
      3.700     1.700     1.700 peak    94 weight  0.10000E+01 volume  0.15430E-02 ppm1      7.326 ppm2      1.917 CV     1
 OR {   94}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HB1 ))
 OR {   94}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 11   and name HB1 ))
 OR {   94}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 20   and name HB2 ))
 ASSI {   95}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 30   and name HB2 ))
      3.300     1.300     1.300 peak    95 weight  0.10000E+01 volume  0.11670E-02 ppm1      7.324 ppm2      1.742 CV     1
 OR {   95}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 30   and name HB1 ))
 OR {   95}
   (  segid "A   " and resid 6    and name HE% )
   (( segid "A   " and resid 3    and name HB2 ))
 ASSI {   96}
   (  segid "A   " and resid 6    and name HE% )
   (( segid "A   " and resid 3    and name HB2 ))
      3.000     1.100     1.100 peak    96 weight  0.10000E+01 volume  0.16078E-02 ppm1      7.322 ppm2      1.695 CV     1
 OR {   96}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 21   and name HD2 ))
 OR {   96}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 12   and name HD2 ))
 ASSI {   97}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HB2 ))
      3.200     1.300     1.300 peak    97 weight  0.10000E+01 volume  0.18153E-02 ppm1      7.324 ppm2      1.638 CV     1
 OR {   97}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 25   and name HD2 ))
 OR {   97}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HG1 ))
 OR {   97}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HG  ))
 OR {   97}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 11   and name HG1 ))
 ASSI {   98}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 30   and name HG1 ))
      3.400     1.400     1.400 peak    98 weight  0.10000E+01 volume  0.11929E-02 ppm1      7.323 ppm2      1.602 CV     1
 OR {   98}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HB2 ))
 OR {   98}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 25   and name HD2 ))
 OR {   98}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HG1 ))
 OR {   98}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HG  ))
 ASSI {   99}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 30   and name HG1 ))
      3.500     1.500     1.500 peak    99 weight  0.10000E+01 volume  0.94655E-03 ppm1      7.322 ppm2      1.542 CV     1
 OR {   99}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 3    and name HD1 ))
 ASSI {  100}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 24   and name HB1 ))
      3.600     1.600     1.600 peak   100 weight  0.10000E+01 volume  0.13096E-02 ppm1      7.324 ppm2      1.439 CV     1
 OR {  100}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 12   and name HG2 ))
 OR {  100}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 24   and name HB1 ))
 ASSI {  101}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 21   and name HG1 ))
      3.800     1.800     1.800 peak   101 weight  0.10000E+01 volume  0.11929E-02 ppm1      7.320 ppm2      1.399 CV     1
 OR {  101}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 24   and name HB1 ))
 OR {  101}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "A   " and resid 8    and name HG1 ))
 OR {  101}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 12   and name HG2 ))
 OR {  101}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 31   and name HB1 ))
 OR {  101}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 24   and name HB1 ))
 ASSI {  102}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "A   " and resid 8    and name HG1 ))
      4.400     2.400     1.600 peak   102 weight  0.10000E+01 volume  0.88172E-03 ppm1      7.325 ppm2      1.316 CV     1
 OR {  102}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 8    and name HG1 ))
 ASSI {  105}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HG21))
      3.700     1.800     1.800 peak   105 weight  0.10000E+01 volume  0.14782E-02 ppm1      7.322 ppm2      0.885 CV     1
 OR {  105}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HD11))
 OR {  105}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  107}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 18   and name HB1 ))
      3.500     1.500     1.500 peak   107 weight  0.10000E+01 volume  0.11021E-02 ppm1      7.316 ppm2      3.215 CV     1
 OR {  107}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 11   and name HE  ))
 OR {  107}
   (( segid "B   " and resid 35   and name HH2 ))
   (( segid "B   " and resid 32   and name HD2 ))
 OR {  107}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 23   and name HB1 ))
 OR {  107}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HD2 ))
 ASSI {  109}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 30   and name HB2 ))
      3.500     1.600     1.600 peak   109 weight  0.10000E+01 volume  0.12318E-02 ppm1      7.319 ppm2      1.768 CV     1
 OR {  109}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 30   and name HB1 ))
 OR {  109}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 15   and name HB  ))
 OR {  109}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HB  ))
 ASSI {  115}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HG21))
      3.900     1.900     1.900 peak   115 weight  0.10000E+01 volume  0.13355E-02 ppm1      7.318 ppm2      0.846 CV     1
 OR {  115}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  115}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  118}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 30   and name HB2 ))
      3.700     1.700     1.700 peak   118 weight  0.10000E+01 volume  0.11151E-02 ppm1      7.312 ppm2      1.829 CV     1
 OR {  118}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "A   " and resid 8    and name HB1 ))
 OR {  118}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HB  ))
 OR {  118}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "B   " and resid 15   and name HB  ))
 ASSI {  122}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 23   and name HB1 ))
      2.700     0.900     0.900 peak   122 weight  0.10000E+01 volume  0.33064E-02 ppm1      7.261 ppm2      3.190 CV     1
 OR {  122}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 26   and name HB1 ))
 OR {  122}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 18   and name HB1 ))
 OR {  122}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 11   and name HE  ))
 ASSI {  137}
   (( segid "A   " and resid 2    and name HH2 ))
   (  segid "B   " and resid 15   and name HG1%)
      3.500     1.500     1.500 peak   137 weight  0.10000E+01 volume  0.72613E-03 ppm1      7.265 ppm2      1.142 CV     1
 OR {  137}
   (  segid "A   " and resid 7    and name HD% )
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  139}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 23   and name HB2 ))
      3.300     1.300     1.300 peak   139 weight  0.10000E+01 volume  0.10762E-02 ppm1      7.261 ppm2      3.036 CV     1
 OR {  139}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 7    and name HB2 ))
 ASSI {  200}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 26   and name HB2 ))
      1.900     0.500     0.500 peak   200 weight  0.10000E+01 volume  0.18127E-01 ppm1      4.549 ppm2      3.119 CV     1
 OR {  200}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 23   and name HB2 ))
 OR {  200}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 26   and name HB1 ))
 ASSI {  211}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 6    and name HB1 ))
      2.200     0.600     0.600 peak   211 weight  0.10000E+01 volume  0.10710E-01 ppm1      4.542 ppm2      2.987 CV     1
 OR {  211}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
 ASSI {  221}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 12   and name HB2 ))
      4.200     2.200     1.800 peak   221 weight  0.10000E+01 volume  0.73909E-03 ppm1      4.443 ppm2      1.918 CV     1
 OR {  221}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "A   " and resid 11   and name HB1 ))
 ASSI {  222}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 14   and name HB2 ))
      2.800     1.000     1.000 peak   222 weight  0.10000E+01 volume  0.28655E-02 ppm1      4.439 ppm2      1.617 CV     1
 OR {  222}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 13   and name HB2 ))
 OR {  222}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 13   and name HG  ))
 ASSI {  225}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 14   and name HB2 ))
      3.400     1.400     1.400 peak   225 weight  0.10000E+01 volume  0.93358E-03 ppm1      4.402 ppm2      1.640 CV     1
 OR {  225}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 13   and name HB2 ))
 ASSI {  270}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 8    and name HE2 ))
      2.900     1.100     1.100 peak   270 weight  0.10000E+01 volume  0.40975E-02 ppm1      4.228 ppm2      2.996 CV     1
 OR {  270}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
 OR {  270}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 8    and name HE2 ))
 OR {  270}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
 ASSI {  271}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 20   and name HG1 ))
      2.000     0.500     0.500 peak   271 weight  0.10000E+01 volume  0.23832E-01 ppm1      4.226 ppm2      1.693 CV     1
 OR {  271}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 3    and name HB2 ))
 OR {  271}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 9    and name HB2 ))
 OR {  271}
   (( segid "B   " and resid 34   and name HA  ))
   (( segid "B   " and resid 34   and name HB2 ))
 ASSI {  273}
   (( segid "B   " and resid 16   and name HB  ))
   (( segid "B   " and resid 16   and name HG21))
      3.500     1.500     1.500 peak   273 weight  0.10000E+01 volume  0.71316E-03 ppm1      4.224 ppm2      1.158 CV     1
 OR {  273}
   (( segid "B   " and resid 15   and name HA  ))
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  275}
   (( segid "B   " and resid 15   and name HA  ))
   (( segid "A   " and resid 3    and name HE1 ))
      4.500     2.600     1.500 peak   275 weight  0.10000E+01 volume  0.67426E-03 ppm1      4.216 ppm2      2.890 CV     1
 OR {  275}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 3    and name HE1 ))
 OR {  275}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 10   and name HB1 ))
 ASSI {  276}
   (( segid "B   " and resid 30   and name HA  ))
   (( segid "B   " and resid 30   and name HG1 ))
      3.100     1.200     1.200 peak   276 weight  0.10000E+01 volume  0.17505E-02 ppm1      4.221 ppm2      1.564 CV     1
 OR {  276}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 9    and name HG1 ))
 OR {  276}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 3    and name HD1 ))
 ASSI {  285}
   (( segid "B   " and resid 27   and name HA  ))
   (( segid "B   " and resid 27   and name HB1 ))
      3.500     1.500     1.500 peak   285 weight  0.10000E+01 volume  0.10373E-02 ppm1      4.192 ppm2      1.973 CV     1
 OR {  285}
   (( segid "B   " and resid 22   and name HA  ))
   (( segid "B   " and resid 22   and name HB2 ))
 OR {  285}
   (( segid "B   " and resid 24   and name HA  ))
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {  287}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
      2.800     1.000     1.000 peak   287 weight  0.10000E+01 volume  0.49661E-02 ppm1      4.182 ppm2      2.993 CV     1
 OR {  287}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 8    and name HE2 ))
 OR {  287}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
 OR {  287}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 6    and name HB1 ))
 ASSI {  294}
   (( segid "B   " and resid 27   and name HA  ))
   (( segid "B   " and resid 27   and name HB1 ))
      3.500     1.500     1.500 peak   294 weight  0.10000E+01 volume  0.10503E-02 ppm1      4.162 ppm2      1.971 CV     1
 OR {  294}
   (( segid "B   " and resid 24   and name HA  ))
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {  295}
   (( segid "B   " and resid 28   and name HA  ))
   (( segid "B   " and resid 28   and name HB1 ))
      3.500     1.500     1.500 peak   295 weight  0.10000E+01 volume  0.79096E-03 ppm1      4.155 ppm2      2.105 CV     1
 OR {  295}
   (( segid "B   " and resid 29   and name HA  ))
   (( segid "B   " and resid 29   and name HB2 ))
 ASSI {  309}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 17   and name HB  ))
      3.500     1.500     1.500 peak   309 weight  0.10000E+01 volume  0.66130E-03 ppm1      4.031 ppm2      1.836 CV     1
 OR {  309}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 8    and name HB1 ))
 ASSI {  311}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 8    and name HB1 ))
      4.500     2.600     1.500 peak   311 weight  0.10000E+01 volume  0.71316E-03 ppm1      4.027 ppm2      1.782 CV     1
 OR {  311}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 15   and name HB  ))
 OR {  311}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "B   " and resid 15   and name HB  ))
 ASSI {  336}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 21   and name HD2 ))
      3.700     1.700     1.700 peak   336 weight  0.10000E+01 volume  0.90765E-03 ppm1      3.303 ppm2      1.686 CV     1
 OR {  336}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 3    and name HB2 ))
 ASSI {  344}
   (( segid "B   " and resid 12   and name HE2 ))
   (  segid "B   " and resid 15   and name HG1%)
      4.100     2.100     1.900 peak   344 weight  0.10000E+01 volume  0.75206E-03 ppm1      3.008 ppm2      1.147 CV     1
 OR {  344}
   (( segid "A   " and resid 7    and name HB2 ))
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  347}
   (( segid "A   " and resid 10   and name HB1 ))
   (( segid "A   " and resid 11   and name HB1 ))
      3.500     1.500     1.500 peak   347 weight  0.10000E+01 volume  0.24117E-02 ppm1      2.881 ppm2      1.917 CV     1
 OR {  347}
   (( segid "A   " and resid 3    and name HE1 ))
   (( segid "B   " and resid 12   and name HB2 ))
 ASSI {  357}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 13   and name HD11))
      2.500     0.800     0.800 peak   357 weight  0.10000E+01 volume  0.24766E-02 ppm1      4.433 ppm2      0.916 CV     1
 OR {  357}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 14   and name HD11))
 ASSI {  359}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 17   and name HG21))
      4.300     2.300     1.700 peak   359 weight  0.10000E+01 volume  0.68723E-03 ppm1      4.414 ppm2      0.840 CV     1
 OR {  359}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  359}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  359}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  359}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 17   and name HG21))
 OR {  359}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  359}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  363}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
      4.100     2.100     1.900 peak   363 weight  0.10000E+01 volume  0.86875E-03 ppm1      4.371 ppm2      0.839 CV     1
 OR {  363}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  363}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 17   and name HG21))
 OR {  363}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  363}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  366}
   (( segid "A   " and resid 4    and name HA  ))
   (  segid "A   " and resid 4    and name HG2%)
      1.600     1.600     4.400 peak   366 weight  0.10000E+01 volume  0.29253E-01 ppm1      4.028 ppm2      0.946 CV     1
 OR {  366}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 14   and name HD21))
 OR {  366}
   (( segid "A   " and resid 4    and name HA  ))
   (  segid "A   " and resid 4    and name HG1%)
 ASSI {  387}
   (( segid "A   " and resid 11   and name HE  ))
   (( segid "B   " and resid 15   and name HG21))
      3.600     1.600     1.600 peak   387 weight  0.10000E+01 volume  0.10632E-02 ppm1      3.176 ppm2      0.915 CV     1
 OR {  387}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 17   and name HG21))
 OR {  387}
   (( segid "A   " and resid 11   and name HD1 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  395}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 13   and name HD11))
      3.700     1.700     1.700 peak   395 weight  0.10000E+01 volume  0.10762E-02 ppm1      3.013 ppm2      0.882 CV     1
 OR {  395}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  396}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 13   and name HD11))
      3.800     1.800     1.800 peak   396 weight  0.10000E+01 volume  0.10373E-02 ppm1      3.004 ppm2      0.917 CV     1
 OR {  396}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  396}
   (( segid "A   " and resid 7    and name HB2 ))
   (  segid "A   " and resid 4    and name HG1%)
 ASSI {  405}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 34   and name HD1 ))
      3.800     1.800     1.800 peak   405 weight  0.10000E+01 volume  0.15171E-02 ppm1      4.706 ppm2      1.668 CV     1
 OR {  405}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 11   and name HG1 ))
 ASSI {  430}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 16   and name HB  ))
      3.100     1.200     1.200 peak   430 weight  0.10000E+01 volume  0.17634E-02 ppm1      4.407 ppm2      4.177 CV     1
 OR {  430}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 16   and name HB  ))
 ASSI {  436}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 6    and name HB1 ))
      4.000     2.000     2.000 peak   436 weight  0.10000E+01 volume  0.82986E-03 ppm1      4.706 ppm2      2.999 CV     1
 OR {  436}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
 ASSI {  445}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 3    and name HA  ))
      3.800     1.800     1.800 peak   445 weight  0.10000E+01 volume  0.60943E-03 ppm1      7.106 ppm2      4.229 CV     1
 OR {  445}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 3    and name HA  ))
 ASSI {  473}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 15   and name HG21))
      4.500     2.500     1.500 peak   473 weight  0.10000E+01 volume  0.47975E-03 ppm1      7.112 ppm2      0.887 CV     1
 OR {  473}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 14   and name HD11))
 ASSI {  507}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 4    and name HA  ))
      4.400     2.400     1.600 peak   507 weight  0.10000E+01 volume  0.62240E-03 ppm1      7.326 ppm2      4.028 CV     1
 OR {  507}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 17   and name HA  ))
 OR {  507}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "A   " and resid 4    and name HA  ))
 ASSI {  516}
   (( segid "A   " and resid 11   and name HE  ))
   (  segid "B   " and resid 15   and name HG1%)
      3.900     1.900     1.900 peak   516 weight  0.10000E+01 volume  0.75206E-03 ppm1      3.208 ppm2      1.144 CV     1
 OR {  516}
   (( segid "B   " and resid 18   and name HB1 ))
   (  segid "B   " and resid 17   and name HG1%)
 OR {  516}
   (( segid "A   " and resid 11   and name HD1 ))
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  525}
   (  segid "A   " and resid 7    and name HD% )
   (  segid "B   " and resid 15   and name HG1%)
      3.900     1.900     1.900 peak   525 weight  0.10000E+01 volume  0.40195E-03 ppm1      7.195 ppm2      1.121 CV     1
 OR {  525}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 3    and name HG2 ))
 ASSI {  527}
   (( segid "A   " and resid 2    and name HH2 ))
   (  segid "B   " and resid 15   and name HG1%)
      3.900     1.900     1.900 peak   527 weight  0.10000E+01 volume  0.37602E-03 ppm1      7.307 ppm2      1.187 CV     1
 OR {  527}
   (( segid "B   " and resid 18   and name HD1 ))
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  528}
   (( segid "B   " and resid 18   and name HD1 ))
   (  segid "B   " and resid 15   and name HG1%)
      4.800     2.900     1.200 peak   528 weight  0.10000E+01 volume  0.36305E-03 ppm1      7.337 ppm2      1.190 CV     1
 OR {  528}
   (  segid "A   " and resid 7    and name HE% )
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  536}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 8    and name HG1 ))
      4.600     2.700     1.400 peak   536 weight  0.10000E+01 volume  0.36305E-03 ppm1      7.143 ppm2      1.339 CV     1
 OR {  536}
   (( segid "B   " and resid 35   and name HZ3 ))
   (( segid "B   " and resid 31   and name HB1 ))
 ASSI {  541}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 12   and name HG2 ))
      4.500     2.500     1.500 peak   541 weight  0.10000E+01 volume  0.31119E-03 ppm1      7.142 ppm2      1.396 CV     1
 OR {  541}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 8    and name HG1 ))
 ASSI {  543}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 15   and name HB  ))
      4.800     2.800     1.200 peak   543 weight  0.10000E+01 volume  0.47975E-03 ppm1      7.143 ppm2      1.773 CV     1
 OR {  543}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 8    and name HB1 ))
 ASSI {  546}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 1    and name HB2 ))
      4.400     2.500     1.600 peak   546 weight  0.10000E+01 volume  0.37602E-03 ppm1      7.143 ppm2      1.862 CV     1
 OR {  546}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 15   and name HB  ))
 OR {  546}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 12   and name HB2 ))
 ASSI {  547}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 1    and name HB2 ))
      3.900     1.900     1.900 peak   547 weight  0.10000E+01 volume  0.55757E-03 ppm1      7.111 ppm2      1.887 CV     1
 OR {  547}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 12   and name HB2 ))
 ASSI {  548}
   (( segid "A   " and resid 2    and name HZ2 ))
   (( segid "B   " and resid 15   and name HB  ))
      4.000     2.000     2.000 peak   548 weight  0.10000E+01 volume  0.38898E-03 ppm1      7.509 ppm2      1.828 CV     1
 OR {  548}
   (( segid "A   " and resid 2    and name HZ2 ))
   (( segid "A   " and resid 8    and name HB1 ))
 ASSI {  551}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "B   " and resid 14   and name HG  ))
      4.900     3.000     1.100 peak   551 weight  0.10000E+01 volume  0.36305E-03 ppm1      7.595 ppm2      1.644 CV     1
 OR {  551}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 8    and name HD1 ))
 ASSI {  554}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 3    and name HB2 ))
      4.500     2.600     1.500 peak   554 weight  0.10000E+01 volume  0.38898E-03 ppm1      7.832 ppm2      1.693 CV     1
 OR {  554}
   (( segid "A   " and resid 2    and name HN  ))
   (( segid "A   " and resid 3    and name HB2 ))
 ASSI {  555}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "B   " and resid 12   and name HG2 ))
      4.600     2.700     1.400 peak   555 weight  0.10000E+01 volume  0.38898E-03 ppm1      7.601 ppm2      1.400 CV     1
 OR {  555}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 8    and name HG1 ))
 ASSI {  557}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 3    and name HG2 ))
      3.600     1.700     1.700 peak   557 weight  0.10000E+01 volume  0.27229E-03 ppm1      7.600 ppm2      1.115 CV     1
 OR {  557}
   (( segid "A   " and resid 2    and name HE3 ))
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  558}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "B   " and resid 15   and name HB  ))
      5.300     3.600     0.700 peak   558 weight  0.10000E+01 volume  0.33712E-03 ppm1      7.594 ppm2      1.822 CV     1
 OR {  558}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 8    and name HB1 ))
 ASSI {  565}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HG2 ))
      3.800     1.800     1.800 peak   565 weight  0.10000E+01 volume  0.42788E-03 ppm1      7.327 ppm2      2.220 CV     1
 OR {  565}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 27   and name HG2 ))
 ASSI {  573}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HG1 ))
      4.500     2.500     1.500 peak   573 weight  0.10000E+01 volume  0.42788E-03 ppm1      7.310 ppm2      2.360 CV     1
 OR {  573}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "A   " and resid 1    and name HG2 ))
 ASSI {  580}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 19   and name HB2 ))
      4.100     2.100     1.900 peak   580 weight  0.10000E+01 volume  0.45381E-03 ppm1      7.273 ppm2      2.738 CV     1
 OR {  580}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 10   and name HB2 ))
 OR {  580}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 19   and name HB1 ))
 ASSI {  583}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 7    and name HB1 ))
      4.400     2.500     1.600 peak   583 weight  0.10000E+01 volume  0.41492E-03 ppm1      7.151 ppm2      3.166 CV     1
 OR {  583}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 9    and name HD2 ))
 OR {  583}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 9    and name HD1 ))
 OR {  583}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 7    and name HB1 ))
 OR {  583}
   (( segid "B   " and resid 35   and name HZ3 ))
   (( segid "B   " and resid 32   and name HD2 ))
 ASSI {  585}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 2    and name HB2 ))
      4.900     3.000     1.100 peak   585 weight  0.10000E+01 volume  0.44085E-03 ppm1      7.147 ppm2      3.233 CV     1
 OR {  585}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 9    and name HD2 ))
 OR {  585}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 11   and name HE  ))
 ASSI {  588}
   (( segid "B   " and resid 35   and name HZ3 ))
   (( segid "B   " and resid 35   and name HB2 ))
      3.400     3.400     2.600 peak   588 weight  0.10000E+01 volume  0.45381E-03 ppm1      7.180 ppm2      3.345 CV     1
 OR {  588}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 18   and name HB2 ))
 ASSI {  599}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 3    and name HB2 ))
      4.400     2.400     1.600 peak   599 weight  0.10000E+01 volume  0.50568E-03 ppm1      7.177 ppm2      1.732 CV     1
 OR {  599}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 12   and name HD2 ))
 ASSI {  612}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HA  ))
      4.300     2.300     1.700 peak   612 weight  0.10000E+01 volume  0.49271E-03 ppm1      7.267 ppm2      4.428 CV     1
 OR {  612}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 13   and name HA  ))
 OR {  612}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 16   and name HA  ))
 OR {  612}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 14   and name HA  ))
 ASSI {  613}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 16   and name HA  ))
      4.700     2.700     1.300 peak   613 weight  0.10000E+01 volume  0.37602E-03 ppm1      7.265 ppm2      4.362 CV     1
 OR {  613}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 16   and name HA  ))
 ASSI {  614}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HA  ))
      4.200     2.200     1.800 peak   614 weight  0.10000E+01 volume  0.36305E-03 ppm1      7.314 ppm2      4.461 CV     1
 OR {  614}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 13   and name HA  ))
 ASSI {  615}
   (  segid "A   " and resid 6    and name HE% )
   (( segid "A   " and resid 6    and name HA  ))
      3.300     3.300     2.700 peak   615 weight  0.10000E+01 volume  0.33712E-03 ppm1      7.367 ppm2      4.491 CV     1
 OR {  615}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 6    and name HA  ))
 ASSI {  618}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 19   and name HA  ))
      4.000     2.000     2.000 peak   618 weight  0.10000E+01 volume  0.42788E-03 ppm1      7.258 ppm2      4.642 CV     1
 OR {  618}
   (( segid "A   " and resid 2    and name HD1 ))
   (( segid "A   " and resid 2    and name HA  ))
 OR {  618}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 35   and name HA  ))
 ASSI {  621}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 3    and name HA  ))
      4.600     2.700     1.400 peak   621 weight  0.10000E+01 volume  0.40195E-03 ppm1      7.596 ppm2      4.212 CV     1
 OR {  621}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 1    and name HA  ))
 ASSI {  623}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 10   and name HB1 ))
      4.300     2.300     1.700 peak   623 weight  0.10000E+01 volume  0.58350E-03 ppm1      4.223 ppm2      2.831 CV     1
 OR {  623}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 10   and name HB1 ))
 ASSI {  624}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 10   and name HB1 ))
      4.500     2.500     1.500 peak   624 weight  0.10000E+01 volume  0.40195E-03 ppm1      4.180 ppm2      2.832 CV     1
 OR {  624}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 10   and name HB1 ))
 ASSI {  635}
   (( segid "B   " and resid 15   and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
      2.700     0.900     0.900 peak   635 weight  0.10000E+01 volume  0.13744E-02 ppm1      4.190 ppm2      0.867 CV     1
 OR {  635}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  636}
   (( segid "B   " and resid 15   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
      3.700     1.700     1.700 peak   636 weight  0.10000E+01 volume  0.57053E-03 ppm1      4.204 ppm2      0.808 CV     1
 OR {  636}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  656}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 7    and name HB1 ))
      3.100     1.200     1.200 peak   656 weight  0.10000E+01 volume  0.41492E-03 ppm1      4.029 ppm2      3.165 CV     1
 OR {  656}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 20   and name HD2 ))
 ASSI {  657}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 20   and name HD2 ))
      3.700     1.700     1.700 peak   657 weight  0.10000E+01 volume  0.44085E-03 ppm1      4.033 ppm2      3.198 CV     1
 OR {  657}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 18   and name HB1 ))
 ASSI {  659}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 26   and name HB1 ))
      3.000     1.100     1.100 peak   659 weight  0.10000E+01 volume  0.19839E-02 ppm1      4.560 ppm2      3.193 CV     1
 OR {  659}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 23   and name HB1 ))
 OR {  659}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 9    and name HD1 ))
 ASSI {  660}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 26   and name HB2 ))
      3.000     1.100     1.100 peak   660 weight  0.10000E+01 volume  0.11540E-02 ppm1      4.563 ppm2      3.072 CV     1
 OR {  660}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 23   and name HB2 ))
 ASSI {  665}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 17   and name HG21))
      4.500     2.500     1.500 peak   665 weight  0.10000E+01 volume  0.37602E-03 ppm1      3.330 ppm2      0.835 CV     1
 OR {  665}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 17   and name HD11))
 OR {  665}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  666}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 14   and name HD11))
      4.400     2.500     1.600 peak   666 weight  0.10000E+01 volume  0.51864E-03 ppm1      3.311 ppm2      0.920 CV     1
 OR {  666}
   (( segid "A   " and resid 2    and name HB2 ))
   (  segid "A   " and resid 4    and name HG1%)
 ASSI {  667}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 17   and name HG21))
      4.200     2.200     1.800 peak   667 weight  0.10000E+01 volume  0.44085E-03 ppm1      3.311 ppm2      0.897 CV     1
 OR {  667}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 14   and name HD11))
 ASSI {  668}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 17   and name HG21))
      4.200     2.200     1.800 peak   668 weight  0.10000E+01 volume  0.44085E-03 ppm1      3.263 ppm2      0.903 CV     1
 OR {  668}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 14   and name HD11))
 OR {  668}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 17   and name HG21))
 OR {  668}
   (( segid "A   " and resid 2    and name HB2 ))
   (  segid "A   " and resid 4    and name HG1%)
 ASSI {  671}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "B   " and resid 15   and name HG21))
      3.300     1.400     1.400 peak   671 weight  0.10000E+01 volume  0.50568E-03 ppm1      3.091 ppm2      0.909 CV     1
 OR {  671}
   (( segid "A   " and resid 7    and name HB1 ))
   (  segid "A   " and resid 4    and name HG1%)
 ASSI {  672}
   (( segid "A   " and resid 3    and name HE1 ))
   (( segid "B   " and resid 15   and name HG21))
      5.000     3.100     1.000 peak   672 weight  0.10000E+01 volume  0.45381E-03 ppm1      2.891 ppm2      0.857 CV     1
 OR {  672}
   (( segid "A   " and resid 10   and name HB1 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  676}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 12   and name HG2 ))
      2.300     0.600     0.600 peak   676 weight  0.10000E+01 volume  0.56663E-02 ppm1      2.998 ppm2      1.393 CV     1
 OR {  676}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 8    and name HG1 ))
 ASSI {  680}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 25   and name HG2 ))
      3.300     1.400     1.400 peak   680 weight  0.10000E+01 volume  0.16078E-02 ppm1      3.170 ppm2      1.437 CV     1
 OR {  680}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 24   and name HB1 ))
 OR {  680}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  682}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 34   and name HG2 ))
      3.500     1.500     1.500 peak   682 weight  0.10000E+01 volume  0.12966E-02 ppm1      3.173 ppm2      1.312 CV     1
 OR {  682}
   (( segid "A   " and resid 11   and name HE  ))
   (( segid "A   " and resid 8    and name HG1 ))
 ASSI {  683}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "A   " and resid 8    and name HG1 ))
      3.800     1.800     1.800 peak   683 weight  0.10000E+01 volume  0.63536E-03 ppm1      3.148 ppm2      1.341 CV     1
 OR {  683}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 31   and name HB1 ))
 OR {  683}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 34   and name HG2 ))
 OR {  683}
   (( segid "B   " and resid 30   and name HD2 ))
   (( segid "B   " and resid 31   and name HB1 ))
 ASSI {  684}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 31   and name HB1 ))
      3.200     1.300     1.300 peak   684 weight  0.10000E+01 volume  0.16986E-02 ppm1      3.202 ppm2      1.392 CV     1
 OR {  684}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 25   and name HG2 ))
 OR {  684}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 24   and name HB1 ))
 OR {  684}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 21   and name HG1 ))
 ASSI {  686}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 31   and name HB1 ))
      3.500     1.500     1.500 peak   686 weight  0.10000E+01 volume  0.10114E-02 ppm1      3.206 ppm2      1.352 CV     1
 OR {  686}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 21   and name HG1 ))
 OR {  686}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 34   and name HG2 ))
 ASSI {  687}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 25   and name HG2 ))
      4.700     2.700     1.300 peak   687 weight  0.10000E+01 volume  0.47975E-03 ppm1      3.081 ppm2      1.456 CV     1
 OR {  687}
   (( segid "B   " and resid 23   and name HB2 ))
   (( segid "B   " and resid 24   and name HB1 ))
 OR {  687}
   (( segid "B   " and resid 23   and name HB2 ))
   (( segid "B   " and resid 25   and name HG2 ))
 OR {  687}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  688}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 14   and name HB2 ))
      2.000     0.500     0.500 peak   688 weight  0.10000E+01 volume  0.14380E-01 ppm1      3.192 ppm2      1.624 CV     1
 OR {  688}
   (( segid "A   " and resid 9    and name HD1 ))
   (( segid "A   " and resid 9    and name HG1 ))
 OR {  688}
   (( segid "A   " and resid 11   and name HD1 ))
   (( segid "A   " and resid 11   and name HG1 ))
 OR {  688}
   (( segid "B   " and resid 20   and name HD2 ))
   (( segid "B   " and resid 20   and name HG1 ))
 OR {  688}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 32   and name HG1 ))
 OR {  688}
   (( segid "A   " and resid 9    and name HD2 ))
   (( segid "A   " and resid 9    and name HG1 ))
 ASSI {  689}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "A   " and resid 8    and name HD1 ))
      4.200     2.200     1.800 peak   689 weight  0.10000E+01 volume  0.10892E-02 ppm1      3.107 ppm2      1.654 CV     1
 OR {  689}
   (( segid "B   " and resid 23   and name HB2 ))
   (( segid "B   " and resid 25   and name HD2 ))
 OR {  689}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 25   and name HD2 ))
 ASSI {  690}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 30   and name HG1 ))
      4.200     2.200     1.800 peak   690 weight  0.10000E+01 volume  0.90765E-03 ppm1      3.191 ppm2      1.538 CV     1
 OR {  690}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 33   and name HB1 ))
 OR {  690}
   (( segid "A   " and resid 11   and name HE  ))
   (( segid "A   " and resid 3    and name HD1 ))
 ASSI {  691}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 3    and name HD1 ))
      3.600     1.700     1.700 peak   691 weight  0.10000E+01 volume  0.71316E-03 ppm1      2.957 ppm2      1.566 CV     1
 OR {  691}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 9    and name HG1 ))
 OR {  691}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 3    and name HD1 ))
 ASSI {  692}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 3    and name HD1 ))
      3.000     1.200     1.200 peak   692 weight  0.10000E+01 volume  0.17505E-02 ppm1      2.995 ppm2      1.556 CV     1
 OR {  692}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 3    and name HD1 ))
 ASSI {  693}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 21   and name HG1 ))
      4.700     2.800     1.300 peak   693 weight  0.10000E+01 volume  0.58350E-03 ppm1      3.303 ppm2      1.404 CV     1
 OR {  693}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  707}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 24   and name HB1 ))
      3.700     1.700     1.700 peak   707 weight  0.10000E+01 volume  0.79096E-03 ppm1      2.404 ppm2      1.386 CV     1
 OR {  707}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 31   and name HB1 ))
 ASSI {  713}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 25   and name HD2 ))
      4.000     2.000     2.000 peak   713 weight  0.10000E+01 volume  0.82986E-03 ppm1      2.422 ppm2      1.652 CV     1
 OR {  713}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "B   " and resid 14   and name HG  ))
 OR {  713}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HG1 ))
 OR {  713}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "A   " and resid 8    and name HD1 ))
 ASSI {  714}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 25   and name HD2 ))
      3.900     1.900     1.900 peak   714 weight  0.10000E+01 volume  0.89469E-03 ppm1      2.360 ppm2      1.659 CV     1
 OR {  714}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "B   " and resid 14   and name HG  ))
 OR {  714}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 32   and name HG1 ))
 OR {  714}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HG1 ))
 OR {  714}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "A   " and resid 8    and name HD1 ))
 ASSI {  715}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 25   and name HD2 ))
      4.000     2.000     2.000 peak   715 weight  0.10000E+01 volume  0.82986E-03 ppm1      2.365 ppm2      1.621 CV     1
 OR {  715}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 30   and name HG1 ))
 OR {  715}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "B   " and resid 14   and name HG  ))
 OR {  715}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HG1 ))
 OR {  715}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 32   and name HG1 ))
 OR {  715}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HG1 ))
 OR {  715}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "A   " and resid 8    and name HD1 ))
 ASSI {  720}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 30   and name HB1 ))
      3.900     1.900     1.900 peak   720 weight  0.10000E+01 volume  0.72613E-03 ppm1      2.284 ppm2      1.757 CV     1
 OR {  720}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  720}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  720}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HB1 ))
 ASSI {  721}
   (( segid "B   " and resid 22   and name HG1 ))
   (( segid "A   " and resid 8    and name HB1 ))
      3.000     1.100     1.100 peak   721 weight  0.10000E+01 volume  0.79096E-03 ppm1      2.277 ppm2      1.825 CV     1
 OR {  721}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 ASSI {  722}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.800     1.800     1.800 peak   722 weight  0.10000E+01 volume  0.71316E-03 ppm1      2.288 ppm2      1.811 CV     1
 OR {  722}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  722}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 ASSI {  725}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
      4.000     2.000     2.000 peak   725 weight  0.10000E+01 volume  0.75206E-03 ppm1      2.371 ppm2      1.822 CV     1
 OR {  725}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 32   and name HB1 ))
 OR {  725}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  725}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  725}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HB1 ))
 ASSI {  726}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HB2 ))
      4.000     2.000     2.000 peak   726 weight  0.10000E+01 volume  0.70019E-03 ppm1      2.403 ppm2      1.813 CV     1
 OR {  726}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  726}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  726}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HB1 ))
 ASSI {  727}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 30   and name HB1 ))
      4.100     2.100     1.900 peak   727 weight  0.10000E+01 volume  0.73909E-03 ppm1      2.412 ppm2      1.768 CV     1
 OR {  727}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HB2 ))
 OR {  727}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  727}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 30   and name HB1 ))
 OR {  727}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 ASSI {  728}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.900     1.900     1.900 peak   728 weight  0.10000E+01 volume  0.88172E-03 ppm1      2.357 ppm2      1.770 CV     1
 OR {  728}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  728}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 30   and name HB1 ))
 OR {  728}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HB2 ))
 OR {  728}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HB1 ))
 OR {  728}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 30   and name HB2 ))
 ASSI {  737}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "A   " and resid 11   and name HG1 ))
      4.200     2.200     1.800 peak   737 weight  0.10000E+01 volume  0.54460E-03 ppm1      2.762 ppm2      1.673 CV     1
 OR {  737}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 20   and name HG1 ))
 OR {  737}
   (( segid "A   " and resid 10   and name HB2 ))
   (( segid "A   " and resid 11   and name HG1 ))
 ASSI {  738}
   (( segid "A   " and resid 10   and name HB2 ))
   (( segid "A   " and resid 9    and name HG1 ))
      3.900     1.900     1.900 peak   738 weight  0.10000E+01 volume  0.53161E-03 ppm1      2.785 ppm2      1.645 CV     1
 OR {  738}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "A   " and resid 11   and name HG1 ))
 ASSI {  740}
   (( segid "B   " and resid 19   and name HB1 ))
   (( segid "A   " and resid 11   and name HG1 ))
      3.900     1.900     1.900 peak   740 weight  0.10000E+01 volume  0.49271E-03 ppm1      2.715 ppm2      1.641 CV     1
 OR {  740}
   (( segid "B   " and resid 19   and name HB1 ))
   (( segid "B   " and resid 20   and name HG1 ))
 ASSI {  748}
   (( segid "B   " and resid 22   and name HG1 ))
   (( segid "B   " and resid 22   and name HB2 ))
      3.100     1.200     1.200 peak   748 weight  0.10000E+01 volume  0.93358E-03 ppm1      2.208 ppm2      1.934 CV     1
 OR {  748}
   (( segid "B   " and resid 22   and name HG2 ))
   (( segid "B   " and resid 22   and name HB2 ))
 OR {  748}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {  750}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 28   and name HB1 ))
      3.100     1.200     1.200 peak   750 weight  0.10000E+01 volume  0.22432E-02 ppm1      2.366 ppm2      2.102 CV     1
 OR {  750}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 29   and name HB2 ))
 OR {  750}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 28   and name HB1 ))
 ASSI {  751}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "A   " and resid 1    and name HE1 ))
      3.400     1.500     1.500 peak   751 weight  0.10000E+01 volume  0.19579E-02 ppm1      2.423 ppm2      2.087 CV     1
 OR {  751}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "A   " and resid 4    and name HB  ))
 ASSI {  755}
   (( segid "A   " and resid 8    and name HD1 ))
   (  segid "A   " and resid 4    and name HG2%)
      3.200     1.300     1.300 peak   755 weight  0.10000E+01 volume  0.26841E-02 ppm1      1.694 ppm2      0.977 CV     1
 OR {  755}
   (( segid "A   " and resid 8    and name HD1 ))
   (  segid "A   " and resid 4    and name HG1%)
 OR {  755}
   (( segid "A   " and resid 3    and name HB2 ))
   (  segid "A   " and resid 4    and name HG2%)
 ASSI {  756}
   (( segid "A   " and resid 8    and name HD1 ))
   (  segid "A   " and resid 4    and name HG2%)
      3.100     1.200     1.200 peak   756 weight  0.10000E+01 volume  0.30731E-02 ppm1      1.693 ppm2      0.944 CV     1
 OR {  756}
   (( segid "B   " and resid 12   and name HD2 ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  756}
   (( segid "A   " and resid 8    and name HD1 ))
   (  segid "A   " and resid 4    and name HG1%)
 ASSI {  758}
   (( segid "B   " and resid 14   and name HB2 ))
   (( segid "B   " and resid 14   and name HD11))
      2.300     0.700     0.700 peak   758 weight  0.10000E+01 volume  0.65998E-02 ppm1      1.619 ppm2      0.955 CV     1
 OR {  758}
   (( segid "B   " and resid 14   and name HG  ))
   (( segid "B   " and resid 14   and name HD21))
 OR {  758}
   (( segid "B   " and resid 14   and name HG  ))
   (( segid "B   " and resid 14   and name HD11))
 OR {  758}
   (( segid "B   " and resid 13   and name HG  ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  758}
   (( segid "B   " and resid 13   and name HB2 ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  758}
   (( segid "B   " and resid 14   and name HB2 ))
   (( segid "B   " and resid 14   and name HD21))
 ASSI {  759}
   (( segid "B   " and resid 14   and name HB2 ))
   (( segid "B   " and resid 14   and name HD11))
      2.300     0.700     0.700 peak   759 weight  0.10000E+01 volume  0.59127E-02 ppm1      1.619 ppm2      0.917 CV     1
 OR {  759}
   (( segid "B   " and resid 14   and name HG  ))
   (( segid "B   " and resid 14   and name HD21))
 OR {  759}
   (( segid "B   " and resid 14   and name HG  ))
   (( segid "B   " and resid 14   and name HD11))
 OR {  759}
   (( segid "B   " and resid 13   and name HG  ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  759}
   (( segid "B   " and resid 14   and name HB2 ))
   (( segid "B   " and resid 14   and name HD21))
 ASSI {  761}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 15   and name HG21))
      2.800     1.000     1.000 peak   761 weight  0.10000E+01 volume  0.32805E-02 ppm1      1.828 ppm2      0.865 CV     1
 OR {  761}
   (( segid "B   " and resid 17   and name HB  ))
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  762}
   (( segid "A   " and resid 1    and name HB2 ))
   (  segid "A   " and resid 4    and name HG1%)
      2.500     0.800     0.800 peak   762 weight  0.10000E+01 volume  0.24506E-02 ppm1      1.880 ppm2      0.908 CV     1
 OR {  762}
   (( segid "B   " and resid 17   and name HB  ))
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  764}
   (( segid "A   " and resid 8    and name HB1 ))
   (  segid "A   " and resid 4    and name HG2%)
      4.100     2.100     1.900 peak   764 weight  0.10000E+01 volume  0.97248E-03 ppm1      1.804 ppm2      0.944 CV     1
 OR {  764}
   (( segid "A   " and resid 8    and name HB1 ))
   (  segid "A   " and resid 4    and name HG1%)
 OR {  764}
   (( segid "B   " and resid 15   and name HB  ))
   (  segid "A   " and resid 4    and name HG2%)
 ASSI {  765}
   (( segid "B   " and resid 21   and name HD2 ))
   (( segid "B   " and resid 17   and name HG21))
      3.200     1.300     1.300 peak   765 weight  0.10000E+01 volume  0.13355E-02 ppm1      1.698 ppm2      0.912 CV     1
 OR {  765}
   (( segid "B   " and resid 12   and name HD2 ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  765}
   (( segid "A   " and resid 8    and name HD1 ))
   (  segid "A   " and resid 4    and name HG1%)
 OR {  765}
   (( segid "A   " and resid 3    and name HB2 ))
   (  segid "A   " and resid 4    and name HG1%)
 ASSI {  766}
   (( segid "B   " and resid 21   and name HD2 ))
   (( segid "B   " and resid 17   and name HG21))
      3.300     1.400     1.400 peak   766 weight  0.10000E+01 volume  0.11151E-02 ppm1      1.726 ppm2      0.899 CV     1
 OR {  766}
   (( segid "B   " and resid 12   and name HD2 ))
   (( segid "B   " and resid 13   and name HD11))
 ASSI {  767}
   (( segid "B   " and resid 21   and name HD2 ))
   (( segid "B   " and resid 17   and name HG21))
      3.200     1.300     1.300 peak   767 weight  0.10000E+01 volume  0.15171E-02 ppm1      1.694 ppm2      0.869 CV     1
 OR {  767}
   (( segid "B   " and resid 12   and name HD2 ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  767}
   (( segid "A   " and resid 11   and name HG1 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  768}
   (( segid "B   " and resid 21   and name HD2 ))
   (( segid "B   " and resid 17   and name HG21))
      3.200     1.300     1.300 peak   768 weight  0.10000E+01 volume  0.10762E-02 ppm1      1.712 ppm2      0.831 CV     1
 OR {  768}
   (( segid "B   " and resid 21   and name HD2 ))
   (( segid "B   " and resid 17   and name HD11))
 OR {  768}
   (( segid "B   " and resid 20   and name HG1 ))
   (( segid "B   " and resid 17   and name HD11))
 OR {  768}
   (( segid "A   " and resid 3    and name HB2 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  768}
   (( segid "A   " and resid 3    and name HB2 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  769}
   (( segid "B   " and resid 14   and name HG  ))
   (( segid "B   " and resid 15   and name HD11))
      3.600     1.600     1.600 peak   769 weight  0.10000E+01 volume  0.18023E-02 ppm1      1.625 ppm2      0.845 CV     1
 OR {  769}
   (( segid "B   " and resid 14   and name HG  ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  769}
   (( segid "B   " and resid 14   and name HB2 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  769}
   (( segid "A   " and resid 11   and name HG1 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  771}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 13   and name HD11))
      2.600     0.800     0.800 peak   771 weight  0.10000E+01 volume  0.21654E-02 ppm1      1.392 ppm2      0.862 CV     1
 OR {  771}
   (( segid "B   " and resid 21   and name HG1 ))
   (( segid "B   " and resid 17   and name HG21))
 OR {  771}
   (( segid "A   " and resid 8    and name HG1 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  772}
   (( segid "B   " and resid 21   and name HG1 ))
   (( segid "B   " and resid 17   and name HG21))
      2.900     1.100     1.100 peak   772 weight  0.10000E+01 volume  0.19968E-02 ppm1      1.399 ppm2      0.839 CV     1
 OR {  772}
   (( segid "B   " and resid 21   and name HG1 ))
   (( segid "B   " and resid 17   and name HD11))
 OR {  772}
   (( segid "A   " and resid 8    and name HG1 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  772}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  777}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 13   and name HD11))
      2.900     1.000     1.000 peak   777 weight  0.10000E+01 volume  0.12059E-02 ppm1      1.442 ppm2      0.955 CV     1
 OR {  777}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 14   and name HD21))
 ASSI {  779}
   (( segid "B   " and resid 21   and name HG1 ))
   (( segid "B   " and resid 17   and name HD11))
      3.200     1.300     1.300 peak   779 weight  0.10000E+01 volume  0.68723E-03 ppm1      1.414 ppm2      0.796 CV     1
 OR {  779}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  784}
   (  segid "B   " and resid 15   and name HG1%)
   (( segid "B   " and resid 15   and name HD11))
      2.700     0.900     0.900 peak   784 weight  0.10000E+01 volume  0.18801E-02 ppm1      1.143 ppm2      0.842 CV     1
 OR {  784}
   (  segid "B   " and resid 15   and name HG1%)
   (( segid "B   " and resid 15   and name HG21))
 OR {  784}
   (  segid "B   " and resid 17   and name HG1%)
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  785}
   (  segid "B   " and resid 15   and name HG1%)
   (( segid "B   " and resid 15   and name HG21))
      2.800     1.000     1.000 peak   785 weight  0.10000E+01 volume  0.23599E-02 ppm1      1.148 ppm2      0.864 CV     1
 OR {  785}
   (  segid "B   " and resid 17   and name HG1%)
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  789}
   (( segid "B   " and resid 17   and name HB  ))
   (  segid "B   " and resid 17   and name HG1%)
      2.900     1.100     1.100 peak   789 weight  0.10000E+01 volume  0.10632E-02 ppm1      1.823 ppm2      1.142 CV     1
 OR {  789}
   (( segid "B   " and resid 15   and name HB  ))
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  793}
   (( segid "B   " and resid 21   and name HD2 ))
   (( segid "B   " and resid 21   and name HG1 ))
      2.100     0.500     0.500 peak   793 weight  0.10000E+01 volume  0.11190E-01 ppm1      1.686 ppm2      1.356 CV     1
 OR {  793}
   (( segid "A   " and resid 8    and name HD1 ))
   (( segid "A   " and resid 8    and name HG1 ))
 OR {  793}
   (( segid "B   " and resid 34   and name HB2 ))
   (( segid "B   " and resid 34   and name HG2 ))
 ASSI {  794}
   (( segid "B   " and resid 21   and name HD2 ))
   (( segid "B   " and resid 21   and name HG1 ))
      2.000     0.500     0.500 peak   794 weight  0.10000E+01 volume  0.14535E-01 ppm1      1.686 ppm2      1.394 CV     1
 OR {  794}
   (( segid "A   " and resid 8    and name HD1 ))
   (( segid "A   " and resid 8    and name HG1 ))
 OR {  794}
   (( segid "B   " and resid 12   and name HD2 ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  795}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 8    and name HG1 ))
      2.300     0.600     0.600 peak   795 weight  0.10000E+01 volume  0.68204E-02 ppm1      1.801 ppm2      1.395 CV     1
 OR {  795}
   (( segid "B   " and resid 25   and name HB1 ))
   (( segid "B   " and resid 25   and name HG2 ))
 OR {  795}
   (( segid "B   " and resid 21   and name HB2 ))
   (( segid "B   " and resid 21   and name HG1 ))
 ASSI {  796}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 8    and name HG1 ))
      2.300     0.600     0.600 peak   796 weight  0.10000E+01 volume  0.61591E-02 ppm1      1.797 ppm2      1.348 CV     1
 OR {  796}
   (( segid "B   " and resid 21   and name HB2 ))
   (( segid "B   " and resid 21   and name HG1 ))
 ASSI {  803}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 8    and name HG1 ))
      4.100     2.100     1.900 peak   803 weight  0.10000E+01 volume  0.98545E-03 ppm1      2.093 ppm2      1.400 CV     1
 OR {  803}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  804}
   (( segid "B   " and resid 27   and name HB2 ))
   (( segid "B   " and resid 24   and name HB1 ))
      3.500     1.600     1.600 peak   804 weight  0.10000E+01 volume  0.72613E-03 ppm1      1.996 ppm2      1.396 CV     1
 OR {  804}
   (( segid "B   " and resid 22   and name HB2 ))
   (( segid "A   " and resid 8    and name HG1 ))
 ASSI {  805}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "B   " and resid 14   and name HG  ))
      3.500     1.500     1.500 peak   805 weight  0.10000E+01 volume  0.15041E-02 ppm1      2.084 ppm2      1.666 CV     1
 OR {  805}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 3    and name HB2 ))
 OR {  805}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 8    and name HD1 ))
 OR {  805}
   (( segid "A   " and resid 1    and name HE1 ))
   (( segid "B   " and resid 14   and name HG  ))
 OR {  805}
   (( segid "B   " and resid 28   and name HB1 ))
   (( segid "B   " and resid 32   and name HG1 ))
 ASSI {  806}
   (( segid "B   " and resid 29   and name HB2 ))
   (( segid "B   " and resid 30   and name HB1 ))
      3.800     1.800     1.800 peak   806 weight  0.10000E+01 volume  0.10114E-02 ppm1      2.092 ppm2      1.712 CV     1
 OR {  806}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 3    and name HB2 ))
 OR {  806}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 8    and name HD1 ))
 ASSI {  807}
   (( segid "B   " and resid 29   and name HB2 ))
   (( segid "B   " and resid 30   and name HB2 ))
      3.800     1.800     1.800 peak   807 weight  0.10000E+01 volume  0.73909E-03 ppm1      2.106 ppm2      1.763 CV     1
 OR {  807}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 8    and name HB1 ))
 OR {  807}
   (( segid "B   " and resid 29   and name HB2 ))
   (( segid "B   " and resid 30   and name HB1 ))
 OR {  807}
   (( segid "B   " and resid 28   and name HB1 ))
   (( segid "B   " and resid 32   and name HB2 ))
 OR {  807}
   (( segid "B   " and resid 29   and name HB2 ))
   (( segid "B   " and resid 32   and name HB2 ))
 ASSI {  809}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 1    and name HB2 ))
      2.800     1.000     1.000 peak   809 weight  0.10000E+01 volume  0.10892E-02 ppm1      2.086 ppm2      1.886 CV     1
 OR {  809}
   (( segid "A   " and resid 1    and name HE1 ))
   (( segid "A   " and resid 1    and name HB2 ))
 ASSI {  812}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 27   and name HB2 ))
      3.300     1.400     1.400 peak   812 weight  0.10000E+01 volume  0.71316E-03 ppm1      2.427 ppm2      2.008 CV     1
 OR {  812}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "A   " and resid 1    and name HE1 ))
 ASSI {  813}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 22   and name HG1 ))
      3.700     1.700     1.700 peak   813 weight  0.10000E+01 volume  0.92062E-03 ppm1      3.199 ppm2      2.278 CV     1
 OR {  813}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HG2 ))
 OR {  813}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HG2 ))
 ASSI {  814}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 22   and name HG1 ))
      3.800     1.800     1.800 peak   814 weight  0.10000E+01 volume  0.71316E-03 ppm1      3.190 ppm2      2.206 CV     1
 OR {  814}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HG2 ))
 OR {  814}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HG2 ))
 OR {  814}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 22   and name HG2 ))
 ASSI {  815}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HG1 ))
      4.000     2.000     2.000 peak   815 weight  0.10000E+01 volume  0.79096E-03 ppm1      3.171 ppm2      2.355 CV     1
 OR {  815}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 29   and name HG2 ))
 OR {  815}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 28   and name HG2 ))
 ASSI {  819}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HG1 ))
      3.900     1.900     1.900 peak   819 weight  0.10000E+01 volume  0.76503E-03 ppm1      3.209 ppm2      2.422 CV     1
 OR {  819}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 28   and name HG2 ))
 OR {  819}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HG1 ))
 ASSI {  821}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 28   and name HG2 ))
      4.400     2.400     1.600 peak   821 weight  0.10000E+01 volume  0.57053E-03 ppm1      3.114 ppm2      2.411 CV     1
 OR {  821}
   (( segid "B   " and resid 23   and name HB2 ))
   (( segid "B   " and resid 27   and name HG1 ))
 OR {  821}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 27   and name HG1 ))
 ASSI {  825}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 29   and name HB2 ))
      3.700     1.700     1.700 peak   825 weight  0.10000E+01 volume  0.99842E-03 ppm1      3.178 ppm2      2.082 CV     1
 OR {  825}
   (( segid "A   " and resid 11   and name HE  ))
   (( segid "A   " and resid 4    and name HB  ))
 ASSI {  826}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 29   and name HB2 ))
      3.700     1.700     1.700 peak   826 weight  0.10000E+01 volume  0.77799E-03 ppm1      3.111 ppm2      2.083 CV     1
 OR {  826}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "A   " and resid 4    and name HB  ))
 ASSI {  827}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 29   and name HB2 ))
      3.800     1.800     1.800 peak   827 weight  0.10000E+01 volume  0.11151E-02 ppm1      3.179 ppm2      2.050 CV     1
 OR {  827}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HB2 ))
 OR {  827}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HB2 ))
 ASSI {  828}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 22   and name HB2 ))
      4.100     2.100     1.900 peak   828 weight  0.10000E+01 volume  0.59647E-03 ppm1      3.210 ppm2      2.001 CV     1
 OR {  828}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HB2 ))
 OR {  828}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 22   and name HB2 ))
 OR {  828}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HB2 ))
 ASSI {  829}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 22   and name HB2 ))
      4.200     2.200     1.800 peak   829 weight  0.10000E+01 volume  0.57053E-03 ppm1      3.180 ppm2      1.995 CV     1
 OR {  829}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HB2 ))
 OR {  829}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 22   and name HB2 ))
 OR {  829}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HB2 ))
 OR {  829}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HB1 ))
 OR {  829}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {  830}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 29   and name HB2 ))
      3.800     1.800     1.800 peak   830 weight  0.10000E+01 volume  0.80392E-03 ppm1      3.136 ppm2      2.051 CV     1
 OR {  830}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "A   " and resid 4    and name HB  ))
 OR {  830}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 29   and name HB2 ))
 OR {  830}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HB2 ))
 ASSI {  839}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 12   and name HB2 ))
      4.300     2.300     1.700 peak   839 weight  0.10000E+01 volume  0.60943E-03 ppm1      2.960 ppm2      1.947 CV     1
 OR {  839}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "B   " and resid 22   and name HB2 ))
 ASSI {  842}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 9    and name HB1 ))
      4.300     2.400     1.700 peak   842 weight  0.10000E+01 volume  0.59647E-03 ppm1      2.961 ppm2      1.868 CV     1
 OR {  842}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 12   and name HB2 ))
 ASSI {  843}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 9    and name HB1 ))
      3.200     1.300     1.300 peak   843 weight  0.10000E+01 volume  0.32415E-02 ppm1      2.998 ppm2      1.800 CV     1
 OR {  843}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 8    and name HB1 ))
 ASSI {  844}
   (( segid "A   " and resid 11   and name HE  ))
   (( segid "A   " and resid 11   and name HB2 ))
      2.400     0.700     0.700 peak   844 weight  0.10000E+01 volume  0.49271E-02 ppm1      3.191 ppm2      1.839 CV     1
 OR {  844}
   (( segid "A   " and resid 9    and name HD2 ))
   (( segid "A   " and resid 9    and name HB1 ))
 OR {  844}
   (( segid "A   " and resid 11   and name HD1 ))
   (( segid "A   " and resid 11   and name HB2 ))
 OR {  844}
   (( segid "A   " and resid 9    and name HD1 ))
   (( segid "A   " and resid 9    and name HB1 ))
 OR {  844}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 32   and name HB1 ))
 ASSI {  845}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 32   and name HB2 ))
      2.300     0.700     0.700 peak   845 weight  0.10000E+01 volume  0.57183E-02 ppm1      3.194 ppm2      1.761 CV     1
 OR {  845}
   (( segid "A   " and resid 9    and name HD1 ))
   (( segid "A   " and resid 9    and name HB2 ))
 OR {  845}
   (( segid "A   " and resid 9    and name HD2 ))
   (( segid "A   " and resid 9    and name HB2 ))
 ASSI {  846}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 8    and name HD1 ))
      1.700     0.400     0.500 peak   846 weight  0.10000E+01 volume  0.21135E-01 ppm1      2.995 ppm2      1.689 CV     1
 OR {  846}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 12   and name HD2 ))
 OR {  846}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 9    and name HB2 ))
 ASSI {  847}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 8    and name HD1 ))
      2.200     0.600     0.600 peak   847 weight  0.10000E+01 volume  0.73648E-02 ppm1      2.958 ppm2      1.656 CV     1
 OR {  847}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 9    and name HG1 ))
 ASSI {  849}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 3    and name HB2 ))
      4.700     2.700     1.300 peak   849 weight  0.10000E+01 volume  0.58350E-03 ppm1      3.301 ppm2      1.746 CV     1
 OR {  849}
   (( segid "B   " and resid 35   and name HB2 ))
   (( segid "B   " and resid 34   and name HB2 ))
 ASSI {  852}
   (( segid "B   " and resid 18   and name HB1 ))
   (  segid "B   " and resid 15   and name HG1%)
      4.800     2.900     1.200 peak   852 weight  0.10000E+01 volume  0.50568E-03 ppm1      3.259 ppm2      1.146 CV     1
 OR {  852}
   (( segid "B   " and resid 18   and name HB1 ))
   (  segid "B   " and resid 17   and name HG1%)
 OR {  852}
   (( segid "A   " and resid 2    and name HB2 ))
   (  segid "B   " and resid 15   and name HG1%)
 OR {  852}
   (( segid "B   " and resid 18   and name HB2 ))
   (  segid "B   " and resid 17   and name HG1%)
 ASSI {  857}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "A   " and resid 3    and name HG2 ))
      4.800     2.800     1.200 peak   857 weight  0.10000E+01 volume  0.51864E-03 ppm1      1.802 ppm2      1.091 CV     1
 OR {  857}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 3    and name HG2 ))
 ASSI {  858}
   (( segid "B   " and resid 12   and name HD2 ))
   (  segid "B   " and resid 15   and name HG1%)
      4.000     2.000     2.000 peak   858 weight  0.10000E+01 volume  0.10243E-02 ppm1      1.693 ppm2      1.205 CV     1
 OR {  858}
   (( segid "B   " and resid 20   and name HG1 ))
   (  segid "B   " and resid 17   and name HG1%)
 OR {  858}
   (( segid "A   " and resid 3    and name HB2 ))
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  860}
   (( segid "A   " and resid 8    and name HG1 ))
   (( segid "A   " and resid 3    and name HG2 ))
      4.600     2.700     1.400 peak   860 weight  0.10000E+01 volume  0.77799E-03 ppm1      1.388 ppm2      1.092 CV     1
 OR {  860}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 3    and name HG2 ))
 ASSI {  872}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 17   and name HD11))
      3.400     1.500     1.500 peak   872 weight  0.10000E+01 volume  0.53161E-03 ppm1      4.042 ppm2      0.788 CV     1
 OR {  872}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  873}
   (( segid "B   " and resid 22   and name HG1 ))
   (( segid "B   " and resid 15   and name HG21))
      2.700     2.700     3.300 peak   873 weight  0.10000E+01 volume  0.55757E-03 ppm1      2.269 ppm2      0.878 CV     1
 OR {  873}
   (( segid "B   " and resid 22   and name HG1 ))
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  883}
   (( segid "B   " and resid 17   and name HB  ))
   (( segid "B   " and resid 17   and name HG21))
      3.400     1.400     1.400 peak   883 weight  0.10000E+01 volume  0.11410E-02 ppm1      1.871 ppm2      0.835 CV     1
 OR {  883}
   (( segid "B   " and resid 20   and name HB2 ))
   (( segid "B   " and resid 17   and name HD11))
 OR {  883}
   (( segid "B   " and resid 17   and name HB  ))
   (( segid "B   " and resid 17   and name HD11))
 ASSI {  884}
   (( segid "B   " and resid 17   and name HB  ))
   (( segid "B   " and resid 17   and name HD11))
      3.900     1.900     1.900 peak   884 weight  0.10000E+01 volume  0.75206E-03 ppm1      1.827 ppm2      0.804 CV     1
 OR {  884}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  885}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 15   and name HD11))
      4.300     2.300     1.700 peak   885 weight  0.10000E+01 volume  0.38898E-03 ppm1      1.772 ppm2      0.818 CV     1
 OR {  885}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  887}
   (( segid "B   " and resid 14   and name HG  ))
   (( segid "B   " and resid 15   and name HD11))
      4.100     2.100     1.900 peak   887 weight  0.10000E+01 volume  0.71316E-03 ppm1      1.621 ppm2      0.806 CV     1
 OR {  887}
   (( segid "B   " and resid 20   and name HG1 ))
   (( segid "B   " and resid 17   and name HD11))
 ASSI {  888}
   (( segid "B   " and resid 21   and name HD2 ))
   (( segid "B   " and resid 17   and name HD11))
      3.700     1.700     1.700 peak   888 weight  0.10000E+01 volume  0.60943E-03 ppm1      1.727 ppm2      0.806 CV     1
 OR {  888}
   (( segid "A   " and resid 3    and name HB2 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  888}
   (( segid "B   " and resid 12   and name HD2 ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  894}
   (( segid "A   " and resid 8    and name HD1 ))
   (( segid "A   " and resid 8    and name HG1 ))
      2.400     0.700     0.700 peak   894 weight  0.10000E+01 volume  0.31248E-02 ppm1      1.641 ppm2      1.307 CV     1
 OR {  894}
   (( segid "B   " and resid 34   and name HD1 ))
   (( segid "B   " and resid 34   and name HG2 ))
 ASSI {  900}
   (( segid "A   " and resid 3    and name HD1 ))
   (( segid "B   " and resid 12   and name HG2 ))
      3.600     1.600     1.600 peak   900 weight  0.10000E+01 volume  0.18542E-02 ppm1      1.558 ppm2      1.413 CV     1
 OR {  900}
   (( segid "B   " and resid 30   and name HG1 ))
   (( segid "B   " and resid 31   and name HB1 ))
 OR {  900}
   (( segid "B   " and resid 13   and name HG  ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  901}
   (( segid "B   " and resid 14   and name HG  ))
   (( segid "B   " and resid 12   and name HG2 ))
      3.700     1.700     1.700 peak   901 weight  0.10000E+01 volume  0.10243E-02 ppm1      1.627 ppm2      1.463 CV     1
 OR {  901}
   (( segid "B   " and resid 13   and name HG  ))
   (( segid "B   " and resid 12   and name HG2 ))
 OR {  901}
   (( segid "B   " and resid 13   and name HB2 ))
   (( segid "B   " and resid 12   and name HG2 ))
 OR {  901}
   (( segid "B   " and resid 32   and name HG1 ))
   (( segid "B   " and resid 33   and name HB1 ))
 OR {  901}
   (( segid "B   " and resid 25   and name HD2 ))
   (( segid "B   " and resid 24   and name HB1 ))
 ASSI {  904}
   (( segid "B   " and resid 32   and name HB1 ))
   (( segid "B   " and resid 32   and name HG1 ))
      2.200     0.600     0.600 peak   904 weight  0.10000E+01 volume  0.11034E-01 ppm1      1.839 ppm2      1.647 CV     1
 OR {  904}
   (( segid "A   " and resid 11   and name HB2 ))
   (( segid "A   " and resid 11   and name HG1 ))
 OR {  904}
   (( segid "A   " and resid 9    and name HB1 ))
   (( segid "A   " and resid 9    and name HG1 ))
 OR {  904}
   (( segid "B   " and resid 21   and name HB2 ))
   (( segid "B   " and resid 21   and name HD2 ))
 ASSI {  905}
   (( segid "B   " and resid 34   and name HB2 ))
   (( segid "B   " and resid 34   and name HD1 ))
      2.000     0.500     0.500 peak   905 weight  0.10000E+01 volume  0.14068E-01 ppm1      1.756 ppm2      1.631 CV     1
 OR {  905}
   (( segid "A   " and resid 9    and name HB2 ))
   (( segid "A   " and resid 9    and name HG1 ))
 OR {  905}
   (( segid "B   " and resid 32   and name HB2 ))
   (( segid "B   " and resid 32   and name HG1 ))
 OR {  905}
   (( segid "B   " and resid 25   and name HB1 ))
   (( segid "B   " and resid 25   and name HD2 ))
 ASSI {  908}
   (( segid "B   " and resid 27   and name HB2 ))
   (( segid "B   " and resid 25   and name HD2 ))
      4.000     2.000     2.000 peak   908 weight  0.10000E+01 volume  0.49271E-03 ppm1      1.999 ppm2      1.661 CV     1
 OR {  908}
   (( segid "B   " and resid 22   and name HB2 ))
   (( segid "B   " and resid 25   and name HD2 ))
 ASSI {  909}
   (( segid "B   " and resid 27   and name HB1 ))
   (( segid "B   " and resid 30   and name HG1 ))
      4.100     2.100     1.900 peak   909 weight  0.10000E+01 volume  0.55757E-03 ppm1      1.965 ppm2      1.599 CV     1
 OR {  909}
   (( segid "B   " and resid 22   and name HB2 ))
   (( segid "B   " and resid 25   and name HD2 ))
 OR {  909}
   (( segid "B   " and resid 27   and name HB1 ))
   (( segid "B   " and resid 25   and name HD2 ))
 ASSI {  912}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 3    and name HD1 ))
      4.300     2.300     1.700 peak   912 weight  0.10000E+01 volume  0.73909E-03 ppm1      2.079 ppm2      1.540 CV     1
 OR {  912}
   (( segid "B   " and resid 29   and name HB2 ))
   (( segid "B   " and resid 33   and name HB1 ))
 ASSI {  913}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 3    and name HD1 ))
      4.400     2.500     1.600 peak   913 weight  0.10000E+01 volume  0.75206E-03 ppm1      2.084 ppm2      1.585 CV     1
 OR {  913}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "B   " and resid 14   and name HG  ))
 OR {  913}
   (( segid "B   " and resid 29   and name HB2 ))
   (( segid "B   " and resid 30   and name HG1 ))
 ASSI {  916}
   (( segid "B   " and resid 27   and name HB1 ))
   (( segid "B   " and resid 31   and name HB1 ))
      3.600     1.600     1.600 peak   916 weight  0.10000E+01 volume  0.46678E-03 ppm1      1.958 ppm2      1.340 CV     1
 OR {  916}
   (( segid "B   " and resid 20   and name HB2 ))
   (( segid "B   " and resid 21   and name HG1 ))
 OR {  916}
   (( segid "B   " and resid 22   and name HB2 ))
   (( segid "A   " and resid 8    and name HG1 ))
 ASSI {  920}
   (( segid "B   " and resid 21   and name HD2 ))
   (( segid "B   " and resid 17   and name HD11))
      4.100     2.100     1.900 peak   920 weight  0.10000E+01 volume  0.45381E-03 ppm1      1.680 ppm2      0.767 CV     1
 OR {  920}
   (( segid "B   " and resid 14   and name HB2 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  920}
   (( segid "B   " and resid 20   and name HG1 ))
   (( segid "B   " and resid 17   and name HD11))
 OR {  920}
   (( segid "A   " and resid 3    and name HB2 ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  922}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 15   and name HD11))
      4.300     2.300     1.700 peak   922 weight  0.10000E+01 volume  0.53161E-03 ppm1      2.999 ppm2      0.814 CV     1
 OR {  922}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  927}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 21   and name HG1 ))
      4.800     2.900     1.200 peak   927 weight  0.10000E+01 volume  0.38898E-03 ppm1      2.813 ppm2      1.403 CV     1
 OR {  927}
   (( segid "A   " and resid 10   and name HB1 ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  928}
   (( segid "B   " and resid 19   and name HB1 ))
   (( segid "B   " and resid 21   and name HG1 ))
      4.300     2.300     1.700 peak   928 weight  0.10000E+01 volume  0.63536E-03 ppm1      2.737 ppm2      1.398 CV     1
 OR {  928}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 21   and name HG1 ))
 OR {  928}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "A   " and resid 8    and name HG1 ))
 ASSI {  934}
   (( segid "A   " and resid 3    and name HE1 ))
   (( segid "B   " and resid 15   and name HB  ))
      4.500     2.600     1.500 peak   934 weight  0.10000E+01 volume  0.44085E-03 ppm1      2.840 ppm2      1.831 CV     1
 OR {  934}
   (( segid "A   " and resid 10   and name HB1 ))
   (( segid "A   " and resid 11   and name HB2 ))
 ASSI {  935}
   (( segid "B   " and resid 23   and name HB2 ))
   (( segid "B   " and resid 22   and name HB2 ))
      3.900     1.900     1.900 peak   935 weight  0.10000E+01 volume  0.44085E-03 ppm1      3.090 ppm2      1.946 CV     1
 OR {  935}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "A   " and resid 11   and name HB1 ))
 OR {  935}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 27   and name HB1 ))
 OR {  935}
   (( segid "B   " and resid 23   and name HB2 ))
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {  936}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "A   " and resid 11   and name HB1 ))
      4.300     2.300     1.700 peak   936 weight  0.10000E+01 volume  0.53161E-03 ppm1      3.122 ppm2      1.911 CV     1
 OR {  936}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 27   and name HB1 ))
 OR {  936}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {  938}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 21   and name HB2 ))
      4.300     2.300     1.700 peak   938 weight  0.10000E+01 volume  0.59647E-03 ppm1      3.302 ppm2      1.829 CV     1
 OR {  938}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "A   " and resid 8    and name HB1 ))
 OR {  938}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 15   and name HB  ))
 OR {  938}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 15   and name HB  ))
 ASSI {  941}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 22   and name HB2 ))
      4.500     2.500     1.500 peak   941 weight  0.10000E+01 volume  0.41492E-03 ppm1      3.295 ppm2      1.958 CV     1
 OR {  941}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 20   and name HB2 ))
 ASSI {  945}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 15   and name HB  ))
      3.700     1.700     1.700 peak   945 weight  0.10000E+01 volume  0.60943E-03 ppm1      4.365 ppm2      1.816 CV     1
 OR {  945}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 15   and name HB  ))
 OR {  945}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 17   and name HB  ))
 ASSI {  956}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "A   " and resid 8    and name HA  ))
      4.000     2.000     2.000 peak   956 weight  0.10000E+01 volume  0.47975E-03 ppm1      4.616 ppm2      4.237 CV     1
 OR {  956}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "A   " and resid 1    and name HA  ))
 OR {  956}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 20   and name HA  ))
 OR {  956}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 22   and name HA  ))
 OR {  956}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 21   and name HA  ))
 ASSI {  958}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 14   and name HB2 ))
      4.600     2.700     1.400 peak   958 weight  0.10000E+01 volume  0.37602E-03 ppm1      4.620 ppm2      1.640 CV     1
 OR {  958}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 20   and name HG1 ))
 OR {  958}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "A   " and resid 11   and name HG1 ))
 ASSI {  959}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "A   " and resid 4    and name HB  ))
      4.300     2.300     1.700 peak   959 weight  0.10000E+01 volume  0.72613E-03 ppm1      4.623 ppm2      2.048 CV     1
 OR {  959}
   (( segid "A   " and resid 2    and name HA  ))
   (( segid "A   " and resid 1    and name HE1 ))
 ASSI {    3}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 7    and name HA  ))
      3.300     1.400     1.400 peak     3 weight  0.10000E+01 volume  0.26710E-02 ppm1      7.362 ppm2      4.550 CV     1
 OR {    3}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 23   and name HA  ))
 ASSI {   30}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "A   " and resid 2    and name HB2 ))
      2.300     0.600     0.600 peak    30 weight  0.10000E+01 volume  0.75206E-03 ppm1      7.668 ppm2      3.300 CV     1
 OR {   30}
   (( segid "B   " and resid 35   and name HE3 ))
   (( segid "B   " and resid 35   and name HB2 ))
 ASSI {   49}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 7    and name HB1 ))
      3.500     1.500     1.500 peak    49 weight  0.10000E+01 volume  0.26061E-02 ppm1      7.361 ppm2      3.112 CV     1
 OR {   49}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 26   and name HB2 ))
 ASSI {   73}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 23   and name HB1 ))
      3.800     1.800     1.800 peak    73 weight  0.10000E+01 volume  0.19320E-02 ppm1      7.356 ppm2      3.201 CV     1
 OR {   73}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 26   and name HB1 ))
 ASSI {   80}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "A   " and resid 10   and name HB1 ))
      4.300     2.300     1.700 peak    80 weight  0.10000E+01 volume  0.66130E-03 ppm1      7.330 ppm2      2.893 CV     1
 OR {   80}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "A   " and resid 3    and name HE1 ))
 ASSI {   82}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HG2 ))
      3.300     1.400     1.400 peak    82 weight  0.10000E+01 volume  0.67426E-03 ppm1      7.332 ppm2      2.276 CV     1
 OR {   82}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 22   and name HG1 ))
 ASSI {  104}
   (  segid "A   " and resid 6    and name HE% )
   (  segid "A   " and resid 4    and name HG1%)
      2.000     2.000     4.000 peak   104 weight  0.10000E+01 volume  0.31248E-02 ppm1      7.323 ppm2      0.946 CV     1
 OR {  104}
   (( segid "B   " and resid 18   and name HD1 ))
   (  segid "A   " and resid 4    and name HG1%)
 ASSI {  114}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD13))
      3.000     1.100     1.100 peak   114 weight  0.10000E+01 volume  0.15171E-02 ppm1      7.315 ppm2      0.868 CV     1
 OR {  114}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD13))
 OR {  114}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HD12))
 OR {  114}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  114}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  114}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HD11))
 OR {  114}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD12))
 OR {  114}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD12))
 ASSI {  123}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 26   and name HB2 ))
      3.000     1.100     1.100 peak   123 weight  0.10000E+01 volume  0.15560E-02 ppm1      7.262 ppm2      3.081 CV     1
 OR {  123}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 23   and name HB2 ))
 ASSI {  127}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 4    and name HB  ))
      3.500     3.500     2.500 peak   127 weight  0.10000E+01 volume  0.31896E-02 ppm1      7.263 ppm2      2.049 CV     1
 OR {  127}
   (( segid "A   " and resid 2    and name HD1 ))
   (( segid "A   " and resid 4    and name HB  ))
 ASSI {  155}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 8    and name HG1 ))
      3.900     1.900     1.900 peak   155 weight  0.10000E+01 volume  0.11670E-02 ppm1      7.251 ppm2      1.357 CV     1
 OR {  155}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 33   and name HB2 ))
 ASSI {  156}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 7    and name HB1 ))
      2.100     0.600     0.600 peak   156 weight  0.10000E+01 volume  0.62240E-02 ppm1      7.242 ppm2      3.118 CV     1
 OR {  156}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 26   and name HB2 ))
 ASSI {  189}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 22   and name HB2 ))
      3.900     1.900     1.900 peak   189 weight  0.10000E+01 volume  0.76503E-03 ppm1      4.560 ppm2      1.886 CV     1
 OR {  189}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 11   and name HB1 ))
 ASSI {  191}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 25   and name HB1 ))
      3.400     1.500     1.500 peak   191 weight  0.10000E+01 volume  0.82986E-03 ppm1      4.562 ppm2      1.767 CV     1
 OR {  191}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 30   and name HB1 ))
 ASSI {  205}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 25   and name HB1 ))
      3.400     1.400     1.400 peak   205 weight  0.10000E+01 volume  0.10762E-02 ppm1      4.550 ppm2      1.792 CV     1
 OR {  205}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 25   and name HB1 ))
 ASSI {  208}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 25   and name HD2 ))
      3.000     1.100     1.100 peak   208 weight  0.10000E+01 volume  0.11670E-02 ppm1      4.552 ppm2      1.636 CV     1
 OR {  208}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 25   and name HD2 ))
 ASSI {  209}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 25   and name HG2 ))
      3.800     1.800     1.800 peak   209 weight  0.10000E+01 volume  0.98545E-03 ppm1      4.550 ppm2      1.399 CV     1
 OR {  209}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 25   and name HG2 ))
 ASSI {  238}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 11   and name HG1 ))
      2.600     0.800     0.800 peak   238 weight  0.10000E+01 volume  0.96339E-02 ppm1      4.285 ppm2      1.634 CV     1
 OR {  238}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 9    and name HG1 ))
 ASSI {  244}
   (( segid "B   " and resid 21   and name HA  ))
   (( segid "B   " and resid 22   and name HB2 ))
      3.500     1.500     1.500 peak   244 weight  0.10000E+01 volume  0.18412E-02 ppm1      4.257 ppm2      1.996 CV     1
 OR {  244}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 22   and name HB2 ))
 ASSI {  262}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 8    and name HB1 ))
      2.200     0.600     0.600 peak   262 weight  0.10000E+01 volume  0.10697E-01 ppm1      4.233 ppm2      1.796 CV     1
 OR {  262}
   (( segid "B   " and resid 21   and name HA  ))
   (( segid "B   " and resid 21   and name HB2 ))
 ASSI {  265}
   (( segid "B   " and resid 21   and name HA  ))
   (( segid "B   " and resid 24   and name HB3 ))
      2.400     0.700     0.700 peak   265 weight  0.10000E+01 volume  0.79354E-02 ppm1      4.234 ppm2      1.394 CV     1
 OR {  265}
   (( segid "B   " and resid 21   and name HA  ))
   (( segid "B   " and resid 21   and name HG1 ))
 OR {  265}
   (( segid "B   " and resid 21   and name HA  ))
   (( segid "B   " and resid 24   and name HB2 ))
 ASSI {  291}
   (( segid "B   " and resid 30   and name HA  ))
   (( segid "B   " and resid 30   and name HG1 ))
      2.300     0.700     0.700 peak   291 weight  0.10000E+01 volume  0.10827E-01 ppm1      4.182 ppm2      1.545 CV     1
 OR {  291}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 3    and name HD1 ))
 ASSI {  343}
   (( segid "B   " and resid 20   and name HD2 ))
   (( segid "B   " and resid 20   and name HB2 ))
      2.200     0.600     0.600 peak   343 weight  0.10000E+01 volume  0.49271E-02 ppm1      3.204 ppm2      1.911 CV     1
 OR {  343}
   (( segid "A   " and resid 11   and name HE  ))
   (( segid "A   " and resid 11   and name HB1 ))
 ASSI {  369}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 15   and name HD12))
      4.100     2.100     1.900 peak   369 weight  0.10000E+01 volume  0.80392E-03 ppm1      4.031 ppm2      0.847 CV     1
 OR {  369}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 14   and name HD13))
 OR {  369}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 14   and name HD12))
 OR {  369}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 15   and name HD13))
 OR {  369}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  429}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 3    and name HA  ))
      3.900     3.900     2.100 peak   429 weight  0.10000E+01 volume  0.95952E-03 ppm1      4.509 ppm2      4.178 CV     1
 OR {  429}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 8    and name HA  ))
 ASSI {  446}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 27   and name HA  ))
      4.100     2.100     1.900 peak   446 weight  0.10000E+01 volume  0.54460E-03 ppm1      7.264 ppm2      4.132 CV     1
 OR {  446}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 25   and name HA  ))
 ASSI {  626}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 19   and name HB2 ))
      4.300     2.300     1.700 peak   626 weight  0.10000E+01 volume  0.55757E-03 ppm1      4.238 ppm2      2.777 CV     1
 OR {  626}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 10   and name HB2 ))
 ASSI {  640}
   (( segid "A   " and resid 11   and name HA  ))
   (  segid "B   " and resid 15   and name HG1%)
      4.600     2.600     1.400 peak   640 weight  0.10000E+01 volume  0.66130E-03 ppm1      4.297 ppm2      1.146 CV     1
 OR {  640}
   (( segid "B   " and resid 20   and name HA  ))
   (  segid "B   " and resid 17   and name HG1%)
 ASSI {  716}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 25   and name HD2 ))
      3.700     1.700     1.700 peak   716 weight  0.10000E+01 volume  0.76503E-03 ppm1      2.280 ppm2      1.624 CV     1
 OR {  716}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 30   and name HG1 ))
 ASSI {  729}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.900     1.900     1.900 peak   729 weight  0.10000E+01 volume  0.72613E-03 ppm1      2.359 ppm2      1.725 CV     1
 OR {  729}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HB1 ))
 ASSI {  743}
   (( segid "B   " and resid 19   and name HB1 ))
   (( segid "B   " and resid 20   and name HB2 ))
      4.500     2.500     1.500 peak   743 weight  0.10000E+01 volume  0.41492E-03 ppm1      2.728 ppm2      1.934 CV     1
 OR {  743}
   (( segid "B   " and resid 19   and name HB1 ))
   (( segid "B   " and resid 22   and name HB2 ))
 ASSI {  808}
   (( segid "B   " and resid 22   and name HG2 ))
   (( segid "B   " and resid 21   and name HB2 ))
      3.300     1.400     1.400 peak   808 weight  0.10000E+01 volume  0.71316E-03 ppm1      2.123 ppm2      1.832 CV     1
 OR {  808}
   (( segid "B   " and resid 28   and name HB1 ))
   (( segid "B   " and resid 32   and name HB1 ))
 ASSI {  868}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "B   " and resid 22   and name HG1 ))
      4.100     2.100     1.900 peak   868 weight  0.10000E+01 volume  0.71316E-03 ppm1      4.298 ppm2      2.256 CV     1
 OR {  868}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 22   and name HG1 ))

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1  16.071  -5.394  -3.958
    2   2H    MET   1          2HT       MET   1  14.612  -4.698  -3.461
    3   3H    MET   1          3HT       MET   1  15.440  -5.751  -2.429
    4    HA   MET   1           HA       MET   1  17.105  -3.601  -3.232
    5   1HB   MET   1          2HB       MET   1  14.515  -2.930  -1.833
    6   2HB   MET   1          1HB       MET   1  15.878  -1.834  -2.008
    7   1HG   MET   1          2HG       MET   1  14.217  -2.989  -4.234
    8   2HG   MET   1          1HG       MET   1  14.172  -1.331  -3.638
    9   1HE   MET   1          1HE       MET   1  16.615  -0.522  -2.982
   10   2HE   MET   1          2HE       MET   1  17.040   0.386  -4.433
   11   3HE   MET   1          3HE       MET   1  18.073  -0.935  -3.886
   12    H    TRP   2           H        TRP   2  15.426  -3.177  -0.292
   13    HA   TRP   2           HA       TRP   2  17.575  -4.525   1.191
   14   1HB   TRP   2          2HB       TRP   2  16.267  -2.427   2.651
   15   2HB   TRP   2          1HB       TRP   2  17.967  -2.562   2.218
   16    HD1  TRP   2           HD       TRP   2  18.805  -1.031   0.256
   17    HE1  TRP   2           1HE      TRP   2  17.687   0.802  -1.166
   18    HE3  TRP   2           3HE      TRP   2  13.922  -1.825   1.560
   19    HZ2  TRP   2           2HZ      TRP   2  15.068   1.766  -1.624
   20    HZ3  TRP   2           3HZ      TRP   2  12.203  -0.379   0.581
   21    HH2  TRP   2           HH       TRP   2  12.774   1.372  -0.985
   22    H    LYS   3           H        LYS   3  14.712  -2.949   2.471
   23    HA   LYS   3           HA       LYS   3  13.834  -5.486   3.656
   24   1HB   LYS   3          2HB       LYS   3  12.625  -4.215   5.223
   25   2HB   LYS   3          1HB       LYS   3  14.147  -3.349   5.058
   26   1HG   LYS   3          2HG       LYS   3  11.923  -2.513   3.300
   27   2HG   LYS   3          1HG       LYS   3  11.734  -2.187   5.021
   28   1HD   LYS   3          2HD       LYS   3  13.726  -0.874   5.063
   29   2HD   LYS   3          1HD       LYS   3  14.152  -1.376   3.427
   30   1HE   LYS   3          2HE       LYS   3  12.511  -0.059   2.441
   31   2HE   LYS   3          1HE       LYS   3  11.564   0.022   3.930
   32   1HZ   LYS   3          1HZ       LYS   3  12.583   1.879   4.506
   33   2HZ   LYS   3          2HZ       LYS   3  13.352   1.899   2.999
   34   3HZ   LYS   3          3HZ       LYS   3  14.113   1.179   4.327
   35    H    VAL   4           H        VAL   4  13.189  -3.185   1.307
   36    HA   VAL   4           HA       VAL   4  10.599  -2.977   0.887
   37    HB   VAL   4           HB       VAL   4  12.653  -2.274  -0.571
   38   1HG1  VAL   4          1HG1      VAL   4  11.753  -4.857  -1.811
   39   2HG1  VAL   4          2HG1      VAL   4  13.394  -4.287  -1.492
   40   3HG1  VAL   4          3HG1      VAL   4  12.452  -3.571  -2.800
   41   1HG2  VAL   4          1HG2      VAL   4  10.044  -1.833  -0.755
   42   2HG2  VAL   4          2HG2      VAL   4  10.260  -2.757  -2.243
   43   3HG2  VAL   4          3HG2      VAL   4  11.185  -1.280  -1.979
   44    H    GLY   5           H        GLY   5  12.502  -5.844   0.048
   45   1HA   GLY   5          2HA       GLY   5  10.833  -7.264  -1.493
   46   2HA   GLY   5          1HA       GLY   5  11.767  -8.034  -0.216
   47    H    PHE   6           H        PHE   6  10.465  -6.920   1.990
   48    HA   PHE   6           HA       PHE   6   7.756  -7.952   1.625
   49   1HB   PHE   6          2HB       PHE   6   7.928  -8.628   4.099
   50   2HB   PHE   6          1HB       PHE   6   8.799  -9.614   2.930
   51    HD1  PHE   6           1HD      PHE   6   9.209  -6.877   5.391
   52    HD2  PHE   6           2HD      PHE   6  11.108  -9.920   3.104
   53    HE1  PHE   6           1HE      PHE   6  11.293  -6.516   6.649
   54    HE2  PHE   6           2HE      PHE   6  13.195  -9.567   4.357
   55    HZ   PHE   6           HZ       PHE   6  13.289  -7.863   6.133
   56    H    PHE   7           H        PHE   7   9.281  -5.217   1.869
   57    HA   PHE   7           HA       PHE   7   7.656  -4.058   4.001
   58   1HB   PHE   7          2HB       PHE   7  10.237  -3.626   3.473
   59   2HB   PHE   7          1HB       PHE   7   9.533  -2.390   2.434
   60    HD1  PHE   7           1HD      PHE   7   9.792  -0.349   3.400
   61    HD2  PHE   7           2HD      PHE   7   8.560  -3.617   5.826
   62    HE1  PHE   7           1HE      PHE   7   9.517   1.180   5.301
   63    HE2  PHE   7           2HE      PHE   7   8.276  -2.094   7.739
   64    HZ   PHE   7           HZ       PHE   7   8.751   0.311   7.476
   65    H    LYS   8           H        LYS   8   8.286  -3.611   0.540
   66    HA   LYS   8           HA       LYS   8   6.593  -1.426   0.223
   67   1HB   LYS   8          2HB       LYS   8   6.527  -2.087  -2.201
   68   2HB   LYS   8          1HB       LYS   8   8.114  -1.849  -1.485
   69   1HG   LYS   8          2HG       LYS   8   7.464  -3.914  -3.084
   70   2HG   LYS   8          1HG       LYS   8   8.758  -3.931  -1.901
   71   1HD   LYS   8          2HD       LYS   8   7.732  -5.883  -1.358
   72   2HD   LYS   8          1HD       LYS   8   6.826  -4.782  -0.315
   73   1HE   LYS   8          2HE       LYS   8   4.948  -5.364  -1.313
   74   2HE   LYS   8          1HE       LYS   8   5.577  -4.796  -2.860
   75   1HZ   LYS   8          1HZ       LYS   8   5.458  -6.911  -3.496
   76   2HZ   LYS   8          2HZ       LYS   8   5.214  -7.474  -1.920
   77   3HZ   LYS   8          3HZ       LYS   8   6.784  -7.214  -2.491
   78    H    ARG   9           H        ARG   9   5.795  -4.491   1.120
   79    HA   ARG   9           HA       ARG   9   3.033  -4.219   0.156
   80   1HB   ARG   9          2HB       ARG   9   3.542  -6.345  -0.548
   81   2HB   ARG   9          1HB       ARG   9   4.787  -6.563   0.671
   82   1HG   ARG   9          2HG       ARG   9   2.470  -6.498   2.154
   83   2HG   ARG   9          1HG       ARG   9   1.993  -7.357   0.689
   84   1HD   ARG   9          2HD       ARG   9   4.582  -8.159   1.836
   85   2HD   ARG   9          1HD       ARG   9   3.175  -8.516   2.837
   86    HE   ARG   9           HE       ARG   9   2.310  -9.853   1.034
   87   1HH1  ARG   9          1HH1      ARG   9   5.618  -8.817   0.694
   88   2HH1  ARG   9          2HH1      ARG   9   6.023 -10.051  -0.452
   89   1HH2  ARG   9          1HH2      ARG   9   2.832 -11.485  -0.471
   90   2HH2  ARG   9          2HH2      ARG   9   4.439 -11.568  -1.115
   91    H    ASN  10           H        ASN  10   5.193  -4.328   2.791
   92    HA   ASN  10           HA       ASN  10   3.136  -4.570   4.831
   93   1HB   ASN  10          2HB       ASN  10   5.129  -5.780   5.302
   94   2HB   ASN  10          1HB       ASN  10   6.147  -4.402   4.881
   95   1HD2  ASN  10          1HD2      ASN  10   3.254  -4.517   6.908
   96   2HD2  ASN  10          2HD2      ASN  10   4.029  -3.983   8.357
   97    H    ARG  11           H        ARG  11   5.941  -2.475   5.057
   98    HA   ARG  11           HA       ARG  11   6.168  -0.308   5.689
   99   1HB   ARG  11          2HB       ARG  11   5.473   0.074   3.393
  100   2HB   ARG  11          1HB       ARG  11   3.789   0.006   3.877
  101   1HG   ARG  11          2HG       ARG  11   4.973   2.298   3.487
  102   2HG   ARG  11          1HG       ARG  11   3.820   2.102   4.803
  103   1HD   ARG  11          2HD       ARG  11   5.634   3.236   5.760
  104   2HD   ARG  11          1HD       ARG  11   5.846   1.560   6.262
  105    HE   ARG  11           HE       ARG  11   7.462   1.438   4.316
  106   1HH1  ARG  11          1HH1      ARG  11   6.825   4.389   6.057
  107   2HH1  ARG  11          2HH1      ARG  11   8.387   5.066   5.738
  108   1HH2  ARG  11          1HH2      ARG  11   9.526   2.320   3.900
  109   2HH2  ARG  11          2HH2      ARG  11   9.921   3.892   4.512
  110   1H    LYS  12          1HT       LYS  12  16.771   4.021  -1.309
  111   2H    LYS  12          2HT       LYS  12  16.633   5.411  -0.355
  112   3H    LYS  12          3HT       LYS  12  15.448   5.056  -1.510
  113    HA   LYS  12           HA       LYS  12  14.984   2.976  -0.271
  114   1HB   LYS  12          2HB       LYS  12  17.184   3.073   0.939
  115   2HB   LYS  12          1HB       LYS  12  16.493   4.346   1.941
  116   1HG   LYS  12          2HG       LYS  12  14.564   2.451   2.114
  117   2HG   LYS  12          1HG       LYS  12  16.018   1.452   1.973
  118   1HD   LYS  12          2HD       LYS  12  15.739   1.776   4.268
  119   2HD   LYS  12          1HD       LYS  12  16.993   2.934   3.819
  120   1HE   LYS  12          2HE       LYS  12  14.413   4.138   3.526
  121   2HE   LYS  12          1HE       LYS  12  14.542   3.417   5.130
  122   1HZ   LYS  12          1HZ       LYS  12  15.399   5.836   4.646
  123   2HZ   LYS  12          2HZ       LYS  12  16.797   5.014   4.167
  124   3HZ   LYS  12          3HZ       LYS  12  16.201   4.823   5.738
  125    H    LEU  13           H        LEU  13  14.301   6.029  -0.648
  126    HA   LEU  13           HA       LEU  13  12.311   5.990   1.504
  127   1HB   LEU  13          2HB       LEU  13  13.326   8.398  -0.009
  128   2HB   LEU  13          1HB       LEU  13  12.183   8.415   1.323
  129    HG   LEU  13           HG       LEU  13  14.081   8.969   2.465
  130   1HD1  LEU  13          1HD1      LEU  13  14.312   5.945   2.400
  131   2HD1  LEU  13          2HD1      LEU  13  13.280   6.900   3.474
  132   3HD1  LEU  13          3HD1      LEU  13  15.034   7.022   3.606
  133   1HD2  LEU  13          1HD2      LEU  13  15.865   9.143   1.129
  134   2HD2  LEU  13          2HD2      LEU  13  15.408   7.732   0.175
  135   3HD2  LEU  13          3HD2      LEU  13  16.266   7.523   1.701
  136    H    LEU  14           H        LEU  14  12.440   4.859  -1.315
  137    HA   LEU  14           HA       LEU  14  10.321   6.175  -2.745
  138   1HB   LEU  14          2HB       LEU  14  10.395   4.029  -4.118
  139   2HB   LEU  14          1HB       LEU  14  11.848   5.010  -4.113
  140    HG   LEU  14           HG       LEU  14  11.922   3.006  -2.008
  141   1HD1  LEU  14          1HD1      LEU  14  11.345   1.136  -3.053
  142   2HD1  LEU  14          2HD1      LEU  14  12.320   1.554  -4.461
  143   3HD1  LEU  14          3HD1      LEU  14  10.657   2.129  -4.338
  144   1HD2  LEU  14          1HD2      LEU  14  13.721   3.196  -4.396
  145   2HD2  LEU  14          2HD2      LEU  14  14.110   2.727  -2.742
  146   3HD2  LEU  14          3HD2      LEU  14  13.771   4.415  -3.122
  147    H    ILE  15           H        ILE  15  10.574   4.181  -0.107
  148    HA   ILE  15           HA       ILE  15   8.107   2.723  -0.424
  149    HB   ILE  15           HB       ILE  15   9.861   2.988   2.024
  150   1HG1  ILE  15          2HG1      ILE  15  11.202   2.198   0.180
  151   2HG1  ILE  15          1HG1      ILE  15  10.868   0.854   1.270
  152   1HG2  ILE  15          1HG2      ILE  15   8.341   0.518   1.460
  153   2HG2  ILE  15          2HG2      ILE  15   7.387   1.930   1.928
  154   3HG2  ILE  15          3HG2      ILE  15   8.661   1.331   2.994
  155   1HD1  ILE  15          1HD1      ILE  15   9.581  -0.233  -0.244
  156   2HD1  ILE  15          2HD1      ILE  15  10.647   0.635  -1.351
  157   3HD1  ILE  15          3HD1      ILE  15   9.031   1.255  -1.014
  158    H    THR  16           H        THR  16   8.119   5.689  -0.417
  159    HA   THR  16           HA       THR  16   6.287   6.120   1.848
  160    HB   THR  16           HB       THR  16   7.872   8.293   0.483
  161    HG1  THR  16           1HG      THR  16   8.866   7.886   2.852
  162   1HG2  THR  16          1HG2      THR  16   6.234   8.148   2.975
  163   2HG2  THR  16          2HG2      THR  16   6.194   9.341   1.676
  164   3HG2  THR  16          3HG2      THR  16   7.539   9.324   2.817
  165    H    ILE  17           H        ILE  17   6.922   6.552  -1.560
  166    HA   ILE  17           HA       ILE  17   4.146   7.477  -1.904
  167    HB   ILE  17           HB       ILE  17   6.349   8.911  -2.632
  168   1HG1  ILE  17          2HG1      ILE  17   4.048   9.737  -2.486
  169   2HG1  ILE  17          1HG1      ILE  17   4.811  10.264  -3.981
  170   1HG2  ILE  17          1HG2      ILE  17   5.573   7.211  -4.974
  171   2HG2  ILE  17          2HG2      ILE  17   7.182   7.586  -4.353
  172   3HG2  ILE  17          3HG2      ILE  17   6.252   8.825  -5.195
  173   1HD1  ILE  17          1HD1      ILE  17   3.651   8.169  -4.991
  174   2HD1  ILE  17          2HD1      ILE  17   2.721   9.638  -4.695
  175   3HD1  ILE  17          3HD1      ILE  17   2.620   8.288  -3.565
  176    H    HIS  18           H        HIS  18   6.751   5.466  -3.184
  177    HA   HIS  18           HA       HIS  18   5.179   4.346  -5.288
  178   1HB   HIS  18          2HB       HIS  18   7.238   3.777  -5.946
  179   2HB   HIS  18          1HB       HIS  18   7.902   4.177  -4.369
  180    HD1  HIS  18           1HD      HIS  18   7.849   2.149  -2.583
  181    HD2  HIS  18           2HD      HIS  18   7.245   1.129  -6.565
  182    HE1  HIS  18           1HE      HIS  18   8.281  -0.326  -2.715
  183    HE2  HIS  18           2HE      HIS  18   7.953  -0.913  -5.143
  184    H    ASP  19           H        ASP  19   5.555   3.755  -1.927
  185    HA   ASP  19           HA       ASP  19   4.572   1.064  -1.939
  186   1HB   ASP  19          2HB       ASP  19   5.541   2.967   0.025
  187   2HB   ASP  19          1HB       ASP  19   4.094   2.142   0.599
  188    H    ARG  20           H        ARG  20   3.202   4.129  -2.293
  189    HA   ARG  20           HA       ARG  20   0.618   3.543  -1.192
  190   1HB   ARG  20          2HB       ARG  20   1.975   5.829  -2.234
  191   2HB   ARG  20          1HB       ARG  20   0.449   5.649  -3.087
  192   1HG   ARG  20          2HG       ARG  20  -0.283   6.901  -1.354
  193   2HG   ARG  20          1HG       ARG  20  -0.443   5.313  -0.603
  194   1HD   ARG  20          2HD       ARG  20   1.775   5.585   0.414
  195   2HD   ARG  20          1HD       ARG  20   1.905   7.184  -0.317
  196    HE   ARG  20           HE       ARG  20  -0.320   7.494   1.068
  197   1HH1  ARG  20          1HH1      ARG  20   2.659   5.944   2.002
  198   2HH1  ARG  20          2HH1      ARG  20   2.472   6.312   3.684
  199   1HH2  ARG  20          1HH2      ARG  20  -0.573   7.983   3.278
  200   2HH2  ARG  20          2HH2      ARG  20   0.634   7.469   4.410
  201    H    LYS  21           H        LYS  21   2.275   2.850  -4.045
  202    HA   LYS  21           HA       LYS  21  -0.207   2.244  -5.495
  203   1HB   LYS  21          2HB       LYS  21   2.143   1.856  -7.100
  204   2HB   LYS  21          1HB       LYS  21   0.811   2.978  -7.346
  205   1HG   LYS  21          2HG       LYS  21   1.897   4.710  -6.268
  206   2HG   LYS  21          1HG       LYS  21   2.978   3.624  -5.392
  207   1HD   LYS  21          2HD       LYS  21   4.428   4.401  -6.975
  208   2HD   LYS  21          1HD       LYS  21   3.764   3.018  -7.847
  209   1HE   LYS  21          2HE       LYS  21   3.826   4.997  -9.269
  210   2HE   LYS  21          1HE       LYS  21   2.164   4.490  -8.967
  211   1HZ   LYS  21          1HZ       LYS  21   3.612   6.789  -7.788
  212   2HZ   LYS  21          2HZ       LYS  21   2.170   6.198  -7.130
  213   3HZ   LYS  21          3HZ       LYS  21   2.190   6.807  -8.707
  214    H    GLU  22           H        GLU  22   2.666   0.913  -4.086
  215    HA   GLU  22           HA       GLU  22   2.520  -1.664  -5.274
  216   1HB   GLU  22          2HB       GLU  22   3.993  -0.385  -3.017
  217   2HB   GLU  22          1HB       GLU  22   3.898  -2.132  -3.042
  218   1HG   GLU  22          2HG       GLU  22   4.708  -0.830  -5.557
  219   2HG   GLU  22          1HG       GLU  22   5.848  -0.732  -4.209
  220    H    PHE  23           H        PHE  23   0.476  -0.086  -3.291
  221    HA   PHE  23           HA       PHE  23  -0.438  -2.517  -1.903
  222   1HB   PHE  23          2HB       PHE  23   0.210  -0.851  -0.310
  223   2HB   PHE  23          1HB       PHE  23  -0.654   0.408  -1.173
  224    HD1  PHE  23           1HD      PHE  23  -1.359  -2.888   0.439
  225    HD2  PHE  23           2HD      PHE  23  -2.631   1.109  -0.282
  226    HE1  PHE  23           1HE      PHE  23  -3.313  -3.253   1.887
  227    HE2  PHE  23           2HE      PHE  23  -4.588   0.752   1.162
  228    HZ   PHE  23           HZ       PHE  23  -4.931  -1.431   2.253
  229    H    ALA  24           H        ALA  24  -1.184  -0.072  -4.188
  230    HA   ALA  24           HA       ALA  24  -4.048  -0.472  -4.077
  231   1HB   ALA  24          1HB       ALA  24  -3.392   1.739  -4.584
  232   2HB   ALA  24          2HB       ALA  24  -4.012   1.061  -6.091
  233   3HB   ALA  24          3HB       ALA  24  -2.273   1.200  -5.837
  234    H    LYS  25           H        LYS  25  -2.917  -2.871  -4.469
  235    HA   LYS  25           HA       LYS  25  -2.665  -3.627  -7.214
  236   1HB   LYS  25          2HB       LYS  25  -3.141  -5.965  -6.082
  237   2HB   LYS  25          1HB       LYS  25  -1.612  -5.141  -5.805
  238   1HG   LYS  25          2HG       LYS  25  -2.000  -5.321  -3.627
  239   2HG   LYS  25          1HG       LYS  25  -3.321  -4.157  -3.826
  240   1HD   LYS  25          2HD       LYS  25  -4.170  -6.109  -2.707
  241   2HD   LYS  25          1HD       LYS  25  -4.835  -6.062  -4.340
  242   1HE   LYS  25          2HE       LYS  25  -3.009  -7.639  -5.026
  243   2HE   LYS  25          1HE       LYS  25  -2.590  -7.794  -3.320
  244   1HZ   LYS  25          1HZ       LYS  25  -5.102  -8.372  -3.100
  245   2HZ   LYS  25          2HZ       LYS  25  -4.004  -9.554  -3.609
  246   3HZ   LYS  25          3HZ       LYS  25  -4.973  -8.757  -4.743
  247    H    PHE  26           H        PHE  26  -5.061  -4.313  -4.742
  248    HA   PHE  26           HA       PHE  26  -7.187  -4.466  -6.769
  249   1HB   PHE  26          2HB       PHE  26  -7.118  -6.597  -5.787
  250   2HB   PHE  26          1HB       PHE  26  -6.659  -5.945  -4.219
  251    HD1  PHE  26           1HD      PHE  26  -9.507  -6.112  -6.600
  252    HD2  PHE  26           2HD      PHE  26  -8.243  -5.670  -2.561
  253    HE1  PHE  26           1HE      PHE  26 -11.849  -6.258  -5.857
  254    HE2  PHE  26           2HE      PHE  26 -10.584  -5.816  -1.809
  255    HZ   PHE  26           HZ       PHE  26 -12.389  -6.111  -3.458
  256    H    GLU  27           H        GLU  27  -5.783  -2.862  -4.240
  257    HA   GLU  27           HA       GLU  27  -7.959  -1.711  -2.885
  258   1HB   GLU  27          2HB       GLU  27  -5.043  -1.269  -3.124
  259   2HB   GLU  27          1HB       GLU  27  -5.982   0.097  -2.569
  260   1HG   GLU  27          2HG       GLU  27  -5.539  -2.547  -1.282
  261   2HG   GLU  27          1HG       GLU  27  -5.387  -0.925  -0.600
  262    H    GLU  28           H        GLU  28  -6.443  -1.059  -5.927
  263    HA   GLU  28           HA       GLU  28  -7.496   1.612  -6.197
  264   1HB   GLU  28          2HB       GLU  28  -6.636   1.497  -8.485
  265   2HB   GLU  28          1HB       GLU  28  -5.414   0.970  -7.336
  266   1HG   GLU  28          2HG       GLU  28  -5.977  -1.372  -7.860
  267   2HG   GLU  28          1HG       GLU  28  -7.128  -0.799  -9.065
  268    H    GLU  29           H        GLU  29  -8.826  -1.369  -6.209
  269    HA   GLU  29           HA       GLU  29 -11.021  -0.569  -8.003
  270   1HB   GLU  29          2HB       GLU  29 -10.456  -3.441  -7.359
  271   2HB   GLU  29          1HB       GLU  29 -11.276  -2.757  -8.758
  272   1HG   GLU  29          2HG       GLU  29  -8.436  -2.041  -8.444
  273   2HG   GLU  29          1HG       GLU  29  -8.779  -3.732  -8.812
  274    H    ARG  30           H        ARG  30 -10.052  -1.186  -4.879
  275    HA   ARG  30           HA       ARG  30 -12.726  -1.989  -3.980
  276   1HB   ARG  30          2HB       ARG  30 -11.033  -3.485  -3.224
  277   2HB   ARG  30          1HB       ARG  30  -9.996  -2.165  -2.710
  278   1HG   ARG  30          2HG       ARG  30 -12.653  -2.353  -1.425
  279   2HG   ARG  30          1HG       ARG  30 -11.472  -3.604  -1.034
  280   1HD   ARG  30          2HD       ARG  30  -9.857  -1.605  -0.669
  281   2HD   ARG  30          1HD       ARG  30 -11.340  -0.658  -0.539
  282    HE   ARG  30           HE       ARG  30 -10.535  -2.842   1.261
  283   1HH1  ARG  30          1HH1      ARG  30 -12.515  -0.065   0.539
  284   2HH1  ARG  30          2HH1      ARG  30 -13.177   0.038   2.136
  285   1HH2  ARG  30          1HH2      ARG  30 -11.402  -2.711   3.366
  286   2HH2  ARG  30          2HH2      ARG  30 -12.545  -1.466   3.742
  287    H    ALA  31           H        ALA  31 -10.093   0.264  -3.138
  288    HA   ALA  31           HA       ALA  31 -12.031   1.905  -1.666
  289   1HB   ALA  31          1HB       ALA  31  -9.040   2.185  -1.610
  290   2HB   ALA  31          2HB       ALA  31  -9.927   1.105  -0.534
  291   3HB   ALA  31          3HB       ALA  31 -10.216   2.844  -0.473
  292    H    ARG  32           H        ARG  32 -11.146   1.733  -4.685
  293    HA   ARG  32           HA       ARG  32 -10.801   4.636  -5.046
  294   1HB   ARG  32          2HB       ARG  32  -9.290   2.563  -6.103
  295   2HB   ARG  32          1HB       ARG  32 -10.372   2.999  -7.419
  296   1HG   ARG  32          2HG       ARG  32  -8.238   4.205  -7.513
  297   2HG   ARG  32          1HG       ARG  32  -9.617   5.290  -7.341
  298   1HD   ARG  32          2HD       ARG  32  -9.016   4.922  -4.751
  299   2HD   ARG  32          1HD       ARG  32  -7.414   4.699  -5.459
  300    HE   ARG  32           HE       ARG  32  -8.935   7.151  -5.321
  301   1HH1  ARG  32          1HH1      ARG  32  -6.288   5.455  -6.825
  302   2HH1  ARG  32          2HH1      ARG  32  -5.492   6.900  -7.350
  303   1HH2  ARG  32          1HH2      ARG  32  -7.898   9.057  -6.015
  304   2HH2  ARG  32          2HH2      ARG  32  -6.405   8.948  -6.888
  305    H    ALA  33           H        ALA  33 -12.246   1.845  -6.734
  306    HA   ALA  33           HA       ALA  33 -13.978   3.215  -8.366
  307   1HB   ALA  33          1HB       ALA  33 -13.662   0.519  -7.482
  308   2HB   ALA  33          2HB       ALA  33 -14.416   1.121  -8.959
  309   3HB   ALA  33          3HB       ALA  33 -15.379   0.923  -7.495
  310    H    LYS  34           H        LYS  34 -14.112   2.909  -4.946
  311    HA   LYS  34           HA       LYS  34 -16.834   3.205  -4.431
  312   1HB   LYS  34          2HB       LYS  34 -16.002   4.483  -2.358
  313   2HB   LYS  34          1HB       LYS  34 -15.498   2.808  -2.537
  314   1HG   LYS  34          2HG       LYS  34 -13.321   3.480  -3.269
  315   2HG   LYS  34          1HG       LYS  34 -13.824   5.165  -3.369
  316   1HD   LYS  34          2HD       LYS  34 -12.477   4.666  -1.356
  317   2HD   LYS  34          1HD       LYS  34 -14.086   5.284  -0.978
  318   1HE   LYS  34          2HE       LYS  34 -14.863   3.132  -0.363
  319   2HE   LYS  34          1HE       LYS  34 -13.445   2.346  -1.055
  320   1HZ   LYS  34          1HZ       LYS  34 -12.564   2.433   0.963
  321   2HZ   LYS  34          2HZ       LYS  34 -13.809   3.414   1.553
  322   3HZ   LYS  34          3HZ       LYS  34 -12.464   4.116   0.806
  323    H    TRP  35           H        TRP  35 -14.348   5.713  -4.621
  324    HA   TRP  35           HA       TRP  35 -16.393   7.747  -5.060
  325   1HB   TRP  35          2HB       TRP  35 -14.433   9.307  -4.799
  326   2HB   TRP  35          1HB       TRP  35 -14.802   8.350  -3.373
  327    HD1  TRP  35           HD       TRP  35 -12.637   7.532  -6.481
  328    HE1  TRP  35           1HE      TRP  35 -10.334   6.839  -5.663
  329    HE3  TRP  35           3HE      TRP  35 -13.328   8.142  -1.457
  330    HZ2  TRP  35           2HZ      TRP  35  -8.940   6.559  -3.213
  331    HZ3  TRP  35           3HZ      TRP  35 -11.461   7.627   0.057
  332    HH2  TRP  35           HH       TRP  35  -9.311   6.854  -0.801
  333    H    ASP  36           H        ASP  36 -14.593   5.660  -6.781
  334    HA   ASP  36           HA       ASP  36 -14.318   7.464  -9.095
  335   1HB   ASP  36          2HB       ASP  36 -12.474   5.631  -7.874
  336   2HB   ASP  36          1HB       ASP  36 -12.833   5.080  -9.513
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1  14.306  -6.306  -2.724
    2   2H    MET   1          2HT       MET   1  14.955  -6.064  -4.267
    3   3H    MET   1          3HT       MET   1  13.734  -5.044  -3.695
    4    HA   MET   1           HA       MET   1  16.437  -4.620  -3.534
    5   1HB   MET   1          2HB       MET   1  14.224  -3.321  -1.940
    6   2HB   MET   1          1HB       MET   1  15.772  -2.604  -2.355
    7   1HG   MET   1          2HG       MET   1  13.755  -3.468  -4.406
    8   2HG   MET   1          1HG       MET   1  13.806  -1.850  -3.715
    9   1HE   MET   1          1HE       MET   1  16.683  -1.507  -3.163
   10   2HE   MET   1          2HE       MET   1  16.234  -0.151  -4.199
   11   3HE   MET   1          3HE       MET   1  17.659  -1.117  -4.581
   12    H    TRP   2           H        TRP   2  14.916  -3.927  -0.534
   13    HA   TRP   2           HA       TRP   2  16.760  -5.744   0.854
   14   1HB   TRP   2          2HB       TRP   2  15.926  -3.481   2.410
   15   2HB   TRP   2          1HB       TRP   2  17.555  -3.944   1.941
   16    HD1  TRP   2           HD       TRP   2  18.676  -2.542   0.054
   17    HE1  TRP   2           1HE      TRP   2  17.962  -0.473  -1.300
   18    HE3  TRP   2           3HE      TRP   2  13.708  -2.365   1.325
   19    HZ2  TRP   2           2HZ      TRP   2  15.608   1.009  -1.729
   20    HZ3  TRP   2           3HZ      TRP   2  12.333  -0.559   0.382
   21    HH2  TRP   2           HH       TRP   2  13.278   1.076  -1.120
   22    H    LYS   3           H        LYS   3  14.333  -3.680   2.296
   23    HA   LYS   3           HA       LYS   3  13.008  -5.993   3.484
   24   1HB   LYS   3          2HB       LYS   3  11.938  -4.407   4.949
   25   2HB   LYS   3          1HB       LYS   3  13.652  -4.009   4.899
   26   1HG   LYS   3          2HG       LYS   3  11.936  -2.612   2.949
   27   2HG   LYS   3          1HG       LYS   3  11.660  -2.215   4.644
   28   1HD   LYS   3          2HD       LYS   3  13.986  -1.594   4.913
   29   2HD   LYS   3          1HD       LYS   3  14.337  -2.107   3.263
   30   1HE   LYS   3          2HE       LYS   3  14.126   0.302   3.372
   31   2HE   LYS   3          1HE       LYS   3  12.838  -0.403   2.387
   32   1HZ   LYS   3          1HZ       LYS   3  11.447   0.748   3.664
   33   2HZ   LYS   3          2HZ       LYS   3  12.657   1.159   4.772
   34   3HZ   LYS   3          3HZ       LYS   3  11.822  -0.303   4.936
   35    H    VAL   4           H        VAL   4  12.751  -3.619   1.135
   36    HA   VAL   4           HA       VAL   4  10.243  -3.004   0.637
   37    HB   VAL   4           HB       VAL   4  12.403  -2.598  -0.737
   38   1HG1  VAL   4          1HG1      VAL   4  12.936  -4.737  -1.549
   39   2HG1  VAL   4          2HG1      VAL   4  12.213  -3.922  -2.937
   40   3HG1  VAL   4          3HG1      VAL   4  11.263  -5.080  -2.000
   41   1HG2  VAL   4          1HG2      VAL   4  10.059  -1.673  -1.078
   42   2HG2  VAL   4          2HG2      VAL   4   9.892  -2.888  -2.344
   43   3HG2  VAL   4          3HG2      VAL   4  11.147  -1.658  -2.464
   44    H    GLY   5           H        GLY   5  11.680  -6.158  -0.170
   45   1HA   GLY   5          2HA       GLY   5   9.891  -7.295  -1.779
   46   2HA   GLY   5          1HA       GLY   5  10.562  -8.195  -0.425
   47    H    PHE   6           H        PHE   6   9.343  -7.098   1.706
   48    HA   PHE   6           HA       PHE   6   6.500  -7.378   1.071
   49   1HB   PHE   6          2HB       PHE   6   6.123  -8.560   3.141
   50   2HB   PHE   6          1HB       PHE   6   7.418  -9.375   2.271
   51    HD1  PHE   6           1HD      PHE   6   9.811  -7.986   2.910
   52    HD2  PHE   6           2HD      PHE   6   6.435  -8.719   5.395
   53    HE1  PHE   6           1HE      PHE   6  11.244  -7.808   4.901
   54    HE2  PHE   6           2HE      PHE   6   7.862  -8.543   7.392
   55    HZ   PHE   6           HZ       PHE   6  10.270  -8.086   7.146
   56    H    PHE   7           H        PHE   7   8.537  -5.105   1.585
   57    HA   PHE   7           HA       PHE   7   7.203  -3.829   3.830
   58   1HB   PHE   7          2HB       PHE   7   9.779  -3.900   3.391
   59   2HB   PHE   7          1HB       PHE   7   9.413  -2.543   2.328
   60    HD1  PHE   7           1HD      PHE   7   9.707  -0.481   3.206
   61    HD2  PHE   7           2HD      PHE   7   8.456  -3.630   5.773
   62    HE1  PHE   7           1HE      PHE   7   9.684   1.083   5.102
   63    HE2  PHE   7           2HE      PHE   7   8.425  -2.072   7.678
   64    HZ   PHE   7           HZ       PHE   7   9.036   0.291   7.339
   65    H    LYS   8           H        LYS   8   7.621  -3.484   0.414
   66    HA   LYS   8           HA       LYS   8   6.590  -0.864   0.283
   67   1HB   LYS   8          2HB       LYS   8   6.520  -1.282  -2.153
   68   2HB   LYS   8          1HB       LYS   8   8.053  -1.598  -1.353
   69   1HG   LYS   8          2HG       LYS   8   6.630  -3.294  -3.096
   70   2HG   LYS   8          1HG       LYS   8   8.136  -3.593  -2.251
   71   1HD   LYS   8          2HD       LYS   8   7.196  -5.189  -1.072
   72   2HD   LYS   8          1HD       LYS   8   6.019  -4.042  -0.424
   73   1HE   LYS   8          2HE       LYS   8   5.785  -5.618  -2.976
   74   2HE   LYS   8          1HE       LYS   8   4.919  -5.907  -1.468
   75   1HZ   LYS   8          1HZ       LYS   8   4.372  -3.307  -2.034
   76   2HZ   LYS   8          2HZ       LYS   8   3.343  -4.615  -2.333
   77   3HZ   LYS   8          3HZ       LYS   8   4.351  -4.035  -3.562
   78    H    ARG   9           H        ARG   9   5.123  -3.742   0.881
   79    HA   ARG   9           HA       ARG   9   2.496  -2.778  -0.028
   80   1HB   ARG   9          2HB       ARG   9   1.757  -5.022  -0.107
   81   2HB   ARG   9          1HB       ARG   9   3.385  -5.093  -0.768
   82   1HG   ARG   9          2HG       ARG   9   4.185  -5.720   1.524
   83   2HG   ARG   9          1HG       ARG   9   2.492  -5.874   1.993
   84   1HD   ARG   9          2HD       ARG   9   3.921  -7.433  -0.154
   85   2HD   ARG   9          1HD       ARG   9   3.386  -8.038   1.414
   86    HE   ARG   9           HE       ARG   9   1.461  -7.042  -0.579
   87   1HH1  ARG   9          1HH1      ARG   9   2.618  -9.538   1.562
   88   2HH1  ARG   9          2HH1      ARG   9   1.229 -10.549   1.340
   89   1HH2  ARG   9          1HH2      ARG   9  -0.367  -8.369  -0.878
   90   2HH2  ARG   9          2HH2      ARG   9  -0.467  -9.886  -0.047
   91    H    ASN  10           H        ASN  10   4.606  -2.876   2.363
   92    HA   ASN  10           HA       ASN  10   2.715  -3.198   4.573
   93   1HB   ASN  10          2HB       ASN  10   4.515  -4.724   4.740
   94   2HB   ASN  10          1HB       ASN  10   5.689  -3.487   4.266
   95   1HD2  ASN  10          1HD2      ASN  10   6.845  -4.197   6.166
   96   2HD2  ASN  10          2HD2      ASN  10   6.414  -3.579   7.720
   97    H    ARG  11           H        ARG  11   5.812  -1.571   4.643
   98    HA   ARG  11           HA       ARG  11   6.440   0.543   5.161
   99   1HB   ARG  11          2HB       ARG  11   4.777   0.979   3.242
  100   2HB   ARG  11          1HB       ARG  11   3.693   1.516   4.508
  101   1HG   ARG  11          2HG       ARG  11   5.828   2.921   3.210
  102   2HG   ARG  11          1HG       ARG  11   4.601   3.536   4.314
  103   1HD   ARG  11          2HD       ARG  11   6.461   4.042   5.521
  104   2HD   ARG  11          1HD       ARG  11   6.205   2.401   6.106
  105    HE   ARG  11           HE       ARG  11   7.882   1.727   4.375
  106   1HH1  ARG  11          1HH1      ARG  11   7.838   4.964   5.669
  107   2HH1  ARG  11          2HH1      ARG  11   9.520   5.245   5.370
  108   1HH2  ARG  11          1HH2      ARG  11  10.097   2.088   3.975
  109   2HH2  ARG  11          2HH2      ARG  11  10.805   3.611   4.405
  110   1H    LYS  12          1HT       LYS  12  16.278   3.281  -2.182
  111   2H    LYS  12          2HT       LYS  12  17.030   4.326  -1.085
  112   3H    LYS  12          3HT       LYS  12  15.540   4.747  -1.767
  113    HA   LYS  12           HA       LYS  12  14.951   2.393  -0.675
  114   1HB   LYS  12          2HB       LYS  12  17.213   2.315   0.326
  115   2HB   LYS  12          1HB       LYS  12  16.826   3.770   1.238
  116   1HG   LYS  12          2HG       LYS  12  14.717   2.042   1.769
  117   2HG   LYS  12          1HG       LYS  12  16.157   1.016   1.793
  118   1HD   LYS  12          2HD       LYS  12  17.153   2.938   3.233
  119   2HD   LYS  12          1HD       LYS  12  15.466   3.361   3.511
  120   1HE   LYS  12          2HE       LYS  12  15.271   0.786   4.037
  121   2HE   LYS  12          1HE       LYS  12  16.996   0.954   4.368
  122   1HZ   LYS  12          1HZ       LYS  12  15.964   3.052   5.687
  123   2HZ   LYS  12          2HZ       LYS  12  16.292   1.550   6.393
  124   3HZ   LYS  12          3HZ       LYS  12  14.724   1.915   5.871
  125    H    LEU  13           H        LEU  13  14.997   5.777  -0.570
  126    HA   LEU  13           HA       LEU  13  12.931   5.807   1.482
  127   1HB   LEU  13          2HB       LEU  13  14.169   8.123  -0.008
  128   2HB   LEU  13          1HB       LEU  13  13.110   8.234   1.387
  129    HG   LEU  13           HG       LEU  13  15.108   8.497   2.453
  130   1HD1  LEU  13          1HD1      LEU  13  15.018   5.477   2.214
  131   2HD1  LEU  13          2HD1      LEU  13  14.146   6.463   3.396
  132   3HD1  LEU  13          3HD1      LEU  13  15.908   6.402   3.433
  133   1HD2  LEU  13          1HD2      LEU  13  16.936   6.674   1.260
  134   2HD2  LEU  13          2HD2      LEU  13  16.986   8.437   1.280
  135   3HD2  LEU  13          3HD2      LEU  13  16.144   7.594  -0.019
  136    H    LEU  14           H        LEU  14  12.895   4.820  -1.411
  137    HA   LEU  14           HA       LEU  14  10.842   6.379  -2.687
  138   1HB   LEU  14          2HB       LEU  14  10.772   4.439  -4.267
  139   2HB   LEU  14          1HB       LEU  14  12.355   5.174  -4.102
  140    HG   LEU  14           HG       LEU  14  12.239   3.067  -2.201
  141   1HD1  LEU  14          1HD1      LEU  14  11.557   1.178  -3.351
  142   2HD1  LEU  14          2HD1      LEU  14  11.605   1.985  -4.918
  143   3HD1  LEU  14          3HD1      LEU  14  10.316   2.358  -3.773
  144   1HD2  LEU  14          1HD2      LEU  14  14.118   2.247  -3.400
  145   2HD2  LEU  14          2HD2      LEU  14  14.187   4.008  -3.490
  146   3HD2  LEU  14          3HD2      LEU  14  13.624   3.076  -4.877
  147    H    ILE  15           H        ILE  15  11.036   4.150  -0.222
  148    HA   ILE  15           HA       ILE  15   8.417   2.971  -0.580
  149    HB   ILE  15           HB       ILE  15  10.406   2.684   1.686
  150   1HG1  ILE  15          2HG1      ILE  15  11.286   1.938  -0.485
  151   2HG1  ILE  15          1HG1      ILE  15  11.034   0.585   0.614
  152   1HG2  ILE  15          1HG2      ILE  15   8.440   0.559   1.106
  153   2HG2  ILE  15          2HG2      ILE  15   7.788   2.039   1.813
  154   3HG2  ILE  15          3HG2      ILE  15   9.056   1.144   2.653
  155   1HD1  ILE  15          1HD1      ILE  15   9.137  -0.143  -0.552
  156   2HD1  ILE  15          2HD1      ILE  15  10.331   0.256  -1.789
  157   3HD1  ILE  15          3HD1      ILE  15   9.008   1.371  -1.447
  158    H    THR  16           H        THR  16   8.485   5.799  -0.345
  159    HA   THR  16           HA       THR  16   7.087   6.169   2.220
  160    HB   THR  16           HB       THR  16   9.334   7.447   1.713
  161    HG1  THR  16           1HG      THR  16   8.293   7.970   3.540
  162   1HG2  THR  16          1HG2      THR  16   7.316   9.083   0.209
  163   2HG2  THR  16          2HG2      THR  16   8.871   8.475  -0.360
  164   3HG2  THR  16          3HG2      THR  16   8.815   9.748   0.861
  165    H    ILE  17           H        ILE  17   7.174   6.868  -1.220
  166    HA   ILE  17           HA       ILE  17   4.358   7.711  -1.056
  167    HB   ILE  17           HB       ILE  17   6.343   9.324  -1.928
  168   1HG1  ILE  17          2HG1      ILE  17   3.984   9.926  -1.498
  169   2HG1  ILE  17          1HG1      ILE  17   4.609  10.679  -2.960
  170   1HG2  ILE  17          1HG2      ILE  17   5.389   7.811  -4.340
  171   2HG2  ILE  17          2HG2      ILE  17   7.048   8.097  -3.811
  172   3HG2  ILE  17          3HG2      ILE  17   6.080   9.431  -4.442
  173   1HD1  ILE  17          1HD1      ILE  17   3.428   8.215  -3.698
  174   2HD1  ILE  17          2HD1      ILE  17   2.907   9.851  -4.096
  175   3HD1  ILE  17          3HD1      ILE  17   2.305   9.064  -2.637
  176    H    HIS  18           H        HIS  18   6.786   5.907  -2.872
  177    HA   HIS  18           HA       HIS  18   5.000   4.953  -4.866
  178   1HB   HIS  18          2HB       HIS  18   6.993   4.459  -5.758
  179   2HB   HIS  18          1HB       HIS  18   7.798   4.673  -4.210
  180    HD1  HIS  18           1HD      HIS  18   7.557   2.413  -2.603
  181    HD2  HIS  18           2HD      HIS  18   7.177   1.948  -6.713
  182    HE1  HIS  18           1HE      HIS  18   7.993  -0.026  -3.047
  183    HE2  HIS  18           2HE      HIS  18   7.780  -0.278  -5.544
  184    H    ASP  19           H        ASP  19   5.583   4.132  -1.613
  185    HA   ASP  19           HA       ASP  19   4.719   1.417  -1.678
  186   1HB   ASP  19          2HB       ASP  19   6.080   2.634   0.144
  187   2HB   ASP  19          1HB       ASP  19   4.529   3.240   0.713
  188    H    ARG  20           H        ARG  20   3.161   4.481  -1.667
  189    HA   ARG  20           HA       ARG  20   0.641   3.634  -0.644
  190   1HB   ARG  20          2HB       ARG  20   1.753   6.075  -1.859
  191   2HB   ARG  20          1HB       ARG  20   0.015   5.864  -1.998
  192   1HG   ARG  20          2HG       ARG  20   0.081   6.983  -0.029
  193   2HG   ARG  20          1HG       ARG  20   0.259   5.341   0.590
  194   1HD   ARG  20          2HD       ARG  20   2.794   5.763   0.323
  195   2HD   ARG  20          1HD       ARG  20   2.344   7.466   0.242
  196    HE   ARG  20           HE       ARG  20   2.073   7.422   2.499
  197   1HH1  ARG  20          1HH1      ARG  20   1.732   4.166   1.301
  198   2HH1  ARG  20          2HH1      ARG  20   1.560   3.469   2.877
  199   1HH2  ARG  20          1HH2      ARG  20   1.853   6.508   4.574
  200   2HH2  ARG  20          2HH2      ARG  20   1.629   4.798   4.735
  201    H    LYS  21           H        LYS  21   2.184   2.884  -3.450
  202    HA   LYS  21           HA       LYS  21  -0.353   2.526  -4.906
  203   1HB   LYS  21          2HB       LYS  21   1.876   2.307  -6.673
  204   2HB   LYS  21          1HB       LYS  21   0.571   3.486  -6.697
  205   1HG   LYS  21          2HG       LYS  21   1.784   5.044  -5.486
  206   2HG   LYS  21          1HG       LYS  21   2.901   3.833  -4.855
  207   1HD   LYS  21          2HD       LYS  21   4.236   4.777  -6.451
  208   2HD   LYS  21          1HD       LYS  21   3.457   3.529  -7.425
  209   1HE   LYS  21          2HE       LYS  21   3.115   5.321  -8.790
  210   2HE   LYS  21          1HE       LYS  21   1.674   5.459  -7.783
  211   1HZ   LYS  21          1HZ       LYS  21   2.357   7.414  -7.029
  212   2HZ   LYS  21          2HZ       LYS  21   3.599   7.380  -8.175
  213   3HZ   LYS  21          3HZ       LYS  21   3.881   6.812  -6.607
  214    H    GLU  22           H        GLU  22   2.743   1.137  -4.021
  215    HA   GLU  22           HA       GLU  22   2.556  -1.272  -5.424
  216   1HB   GLU  22          2HB       GLU  22   4.121  -0.186  -3.176
  217   2HB   GLU  22          1HB       GLU  22   3.994  -1.935  -3.223
  218   1HG   GLU  22          2HG       GLU  22   4.694  -0.565  -5.746
  219   2HG   GLU  22          1HG       GLU  22   5.914  -0.590  -4.467
  220    H    PHE  23           H        PHE  23   0.764  -0.115  -2.794
  221    HA   PHE  23           HA       PHE  23   0.049  -2.788  -1.854
  222   1HB   PHE  23          2HB       PHE  23   0.527  -1.044  -0.174
  223   2HB   PHE  23          1HB       PHE  23  -0.796  -0.074  -0.811
  224    HD1  PHE  23           1HD      PHE  23  -0.190  -3.529   0.463
  225    HD2  PHE  23           2HD      PHE  23  -2.799  -0.173   0.296
  226    HE1  PHE  23           1HE      PHE  23  -1.745  -4.667   1.993
  227    HE2  PHE  23           2HE      PHE  23  -4.359  -1.303   1.826
  228    HZ   PHE  23           HZ       PHE  23  -3.832  -3.554   2.678
  229    H    ALA  24           H        ALA  24  -1.474   0.125  -3.220
  230    HA   ALA  24           HA       ALA  24  -4.010  -1.256  -3.507
  231   1HB   ALA  24          1HB       ALA  24  -4.636   0.874  -3.185
  232   2HB   ALA  24          2HB       ALA  24  -4.286   1.083  -4.900
  233   3HB   ALA  24          3HB       ALA  24  -3.072   1.511  -3.694
  234    H    LYS  25           H        LYS  25  -2.007  -2.559  -4.833
  235    HA   LYS  25           HA       LYS  25  -1.900  -1.929  -7.618
  236   1HB   LYS  25          2HB       LYS  25  -1.169  -4.464  -7.627
  237   2HB   LYS  25          1HB       LYS  25  -0.107  -3.237  -6.948
  238   1HG   LYS  25          2HG       LYS  25  -0.074  -4.362  -5.038
  239   2HG   LYS  25          1HG       LYS  25  -1.813  -4.067  -4.856
  240   1HD   LYS  25          2HD       LYS  25  -1.539  -6.408  -4.726
  241   2HD   LYS  25          1HD       LYS  25  -2.156  -6.094  -6.349
  242   1HE   LYS  25          2HE       LYS  25   0.190  -6.181  -7.183
  243   2HE   LYS  25          1HE       LYS  25   0.700  -6.666  -5.566
  244   1HZ   LYS  25          1HZ       LYS  25  -0.713  -8.192  -7.602
  245   2HZ   LYS  25          2HZ       LYS  25  -1.197  -8.455  -6.003
  246   3HZ   LYS  25          3HZ       LYS  25   0.415  -8.708  -6.451
  247    H    PHE  26           H        PHE  26  -3.366  -4.558  -5.813
  248    HA   PHE  26           HA       PHE  26  -5.522  -4.801  -7.802
  249   1HB   PHE  26          2HB       PHE  26  -4.386  -6.849  -7.880
  250   2HB   PHE  26          1HB       PHE  26  -3.976  -6.773  -6.170
  251    HD1  PHE  26           1HD      PHE  26  -5.134  -8.058  -4.668
  252    HD2  PHE  26           2HD      PHE  26  -6.914  -7.162  -8.425
  253    HE1  PHE  26           1HE      PHE  26  -7.002  -9.567  -4.136
  254    HE2  PHE  26           2HE      PHE  26  -8.789  -8.668  -7.903
  255    HZ   PHE  26           HZ       PHE  26  -8.835  -9.874  -5.755
  256    H    GLU  27           H        GLU  27  -4.553  -3.978  -4.737
  257    HA   GLU  27           HA       GLU  27  -6.698  -4.679  -3.092
  258   1HB   GLU  27          2HB       GLU  27  -4.457  -2.737  -3.045
  259   2HB   GLU  27          1HB       GLU  27  -5.781  -2.422  -1.947
  260   1HG   GLU  27          2HG       GLU  27  -3.885  -4.720  -2.012
  261   2HG   GLU  27          1HG       GLU  27  -4.314  -3.662  -0.666
  262    H    GLU  28           H        GLU  28  -6.426  -2.344  -5.590
  263    HA   GLU  28           HA       GLU  28  -8.532  -0.615  -4.653
  264   1HB   GLU  28          2HB       GLU  28  -8.314   0.504  -6.794
  265   2HB   GLU  28          1HB       GLU  28  -6.715   0.207  -6.127
  266   1HG   GLU  28          2HG       GLU  28  -6.497  -1.759  -7.594
  267   2HG   GLU  28          1HG       GLU  28  -8.070  -1.381  -8.295
  268    H    GLU  29           H        GLU  29  -8.478  -3.672  -5.772
  269    HA   GLU  29           HA       GLU  29 -11.166  -3.481  -6.963
  270   1HB   GLU  29          2HB       GLU  29  -9.243  -5.737  -7.492
  271   2HB   GLU  29          1HB       GLU  29 -10.672  -5.280  -8.411
  272   1HG   GLU  29          2HG       GLU  29  -8.458  -3.318  -8.217
  273   2HG   GLU  29          1HG       GLU  29  -8.226  -4.735  -9.241
  274    H    ARG  30           H        ARG  30  -9.095  -4.896  -4.613
  275    HA   ARG  30           HA       ARG  30 -11.147  -6.816  -3.781
  276   1HB   ARG  30          2HB       ARG  30  -9.190  -8.011  -3.857
  277   2HB   ARG  30          1HB       ARG  30  -8.197  -6.621  -3.439
  278   1HG   ARG  30          2HG       ARG  30  -8.025  -7.934  -1.556
  279   2HG   ARG  30          1HG       ARG  30  -9.330  -6.828  -1.124
  280   1HD   ARG  30          2HD       ARG  30 -10.448  -9.074  -2.469
  281   2HD   ARG  30          1HD       ARG  30  -9.377  -9.656  -1.194
  282    HE   ARG  30           HE       ARG  30 -11.860  -8.207  -0.865
  283   1HH1  ARG  30          1HH1      ARG  30  -8.897  -9.288   0.616
  284   2HH1  ARG  30          2HH1      ARG  30  -9.504  -9.147   2.231
  285   1HH2  ARG  30          1HH2      ARG  30 -12.663  -8.012   1.258
  286   2HH2  ARG  30          2HH2      ARG  30 -11.643  -8.422   2.596
  287    H    ALA  31           H        ALA  31  -8.939  -4.431  -2.317
  288    HA   ALA  31           HA       ALA  31 -10.435  -4.350   0.127
  289   1HB   ALA  31          1HB       ALA  31  -8.168  -2.657  -0.907
  290   2HB   ALA  31          2HB       ALA  31  -8.082  -3.967   0.271
  291   3HB   ALA  31          3HB       ALA  31  -8.896  -2.459   0.688
  292    H    ARG  32           H        ARG  32 -11.169  -3.233  -2.825
  293    HA   ARG  32           HA       ARG  32 -12.432  -0.765  -1.840
  294   1HB   ARG  32          2HB       ARG  32 -10.935  -1.202  -4.131
  295   2HB   ARG  32          1HB       ARG  32 -12.594  -1.240  -4.713
  296   1HG   ARG  32          2HG       ARG  32 -11.555   0.996  -4.829
  297   2HG   ARG  32          1HG       ARG  32 -13.015   0.954  -3.840
  298   1HD   ARG  32          2HD       ARG  32 -11.197   0.482  -1.935
  299   2HD   ARG  32          1HD       ARG  32 -10.193   1.403  -3.055
  300    HE   ARG  32           HE       ARG  32 -12.770   2.466  -2.122
  301   1HH1  ARG  32          1HH1      ARG  32  -9.310   2.735  -2.457
  302   2HH1  ARG  32          2HH1      ARG  32  -9.258   4.376  -1.906
  303   1HH2  ARG  32          1HH2      ARG  32 -12.711   4.618  -1.398
  304   2HH2  ARG  32          2HH2      ARG  32 -11.193   5.449  -1.302
  305    H    ALA  33           H        ALA  33 -13.157  -3.345  -4.200
  306    HA   ALA  33           HA       ALA  33 -15.868  -2.969  -4.365
  307   1HB   ALA  33          1HB       ALA  33 -14.090  -4.843  -5.314
  308   2HB   ALA  33          2HB       ALA  33 -15.824  -4.806  -5.633
  309   3HB   ALA  33          3HB       ALA  33 -15.190  -5.801  -4.322
  310    H    LYS  34           H        LYS  34 -14.094  -4.168  -1.661
  311    HA   LYS  34           HA       LYS  34 -16.024  -5.719  -0.373
  312   1HB   LYS  34          2HB       LYS  34 -14.910  -4.819   1.766
  313   2HB   LYS  34          1HB       LYS  34 -13.912  -5.743   0.651
  314   1HG   LYS  34          2HG       LYS  34 -12.916  -3.716  -0.193
  315   2HG   LYS  34          1HG       LYS  34 -14.022  -2.736   0.770
  316   1HD   LYS  34          2HD       LYS  34 -11.732  -2.956   1.741
  317   2HD   LYS  34          1HD       LYS  34 -13.029  -3.489   2.812
  318   1HE   LYS  34          2HE       LYS  34 -12.272  -5.596   2.856
  319   2HE   LYS  34          1HE       LYS  34 -11.976  -5.620   1.119
  320   1HZ   LYS  34          1HZ       LYS  34 -10.064  -5.616   3.017
  321   2HZ   LYS  34          2HZ       LYS  34 -10.131  -3.978   2.599
  322   3HZ   LYS  34          3HZ       LYS  34  -9.829  -5.141   1.409
  323    H    TRP  35           H        TRP  35 -15.302  -2.287   0.071
  324    HA   TRP  35           HA       TRP  35 -17.922  -1.867   1.278
  325   1HB   TRP  35          2HB       TRP  35 -16.992   0.419   1.744
  326   2HB   TRP  35          1HB       TRP  35 -16.118  -0.892   2.520
  327    HD1  TRP  35           HD       TRP  35 -15.765   0.626  -1.029
  328    HE1  TRP  35           1HE      TRP  35 -13.339   1.312  -1.338
  329    HE3  TRP  35           3HE      TRP  35 -13.957  -0.656   3.570
  330    HZ2  TRP  35           2HZ      TRP  35 -10.926   1.323   0.143
  331    HZ3  TRP  35           3HZ      TRP  35 -11.574  -0.290   4.038
  332    HH2  TRP  35           HH       TRP  35 -10.087   0.683   2.363
  333    H    ASP  36           H        ASP  36 -16.590  -1.932  -1.680
  334    HA   ASP  36           HA       ASP  36 -18.324   0.205  -2.738
  335   1HB   ASP  36          2HB       ASP  36 -15.550  -0.377  -3.179
  336   2HB   ASP  36          1HB       ASP  36 -16.428  -0.597  -4.696
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1  14.842  -5.689  -2.756
    2   2H    MET   1          2HT       MET   1  15.270  -5.326  -4.350
    3   3H    MET   1          3HT       MET   1  13.970  -4.527  -3.622
    4    HA   MET   1           HA       MET   1  16.606  -3.711  -3.708
    5   1HB   MET   1          2HB       MET   1  14.298  -2.724  -2.028
    6   2HB   MET   1          1HB       MET   1  15.725  -1.795  -2.464
    7   1HG   MET   1          2HG       MET   1  13.751  -2.903  -4.442
    8   2HG   MET   1          1HG       MET   1  13.717  -1.261  -3.807
    9   1HE   MET   1          1HE       MET   1  16.386  -0.587  -3.353
   10   2HE   MET   1          2HE       MET   1  16.217   0.593  -4.654
   11   3HE   MET   1          3HE       MET   1  17.560  -0.552  -4.670
   12    H    TRP   2           H        TRP   2  15.236  -3.128  -0.626
   13    HA   TRP   2           HA       TRP   2  17.369  -4.684   0.664
   14   1HB   TRP   2          2HB       TRP   2  16.442  -2.485   2.235
   15   2HB   TRP   2          1HB       TRP   2  18.058  -2.756   1.592
   16    HD1  TRP   2           HD       TRP   2  18.781  -1.216  -0.395
   17    HE1  TRP   2           1HE      TRP   2  17.629   0.686  -1.697
   18    HE3  TRP   2           3HE      TRP   2  14.008  -1.777   1.357
   19    HZ2  TRP   2           2HZ      TRP   2  15.025   1.779  -1.905
   20    HZ3  TRP   2           3HZ      TRP   2  12.278  -0.236   0.542
   21    HH2  TRP   2           HH       TRP   2  12.793   1.490  -1.058
   22    H    LYS   3           H        LYS   3  14.879  -2.839   2.296
   23    HA   LYS   3           HA       LYS   3  13.900  -5.247   3.616
   24   1HB   LYS   3          2HB       LYS   3  12.795  -3.779   5.134
   25   2HB   LYS   3          1HB       LYS   3  14.393  -3.087   4.873
   26   1HG   LYS   3          2HG       LYS   3  12.277  -2.118   3.073
   27   2HG   LYS   3          1HG       LYS   3  12.072  -1.705   4.772
   28   1HD   LYS   3          2HD       LYS   3  14.241  -0.641   4.818
   29   2HD   LYS   3          1HD       LYS   3  14.564  -1.180   3.172
   30   1HE   LYS   3          2HE       LYS   3  13.936   1.120   3.097
   31   2HE   LYS   3          1HE       LYS   3  12.646   0.146   2.378
   32   1HZ   LYS   3          1HZ       LYS   3  12.086   0.389   5.093
   33   2HZ   LYS   3          2HZ       LYS   3  11.258   1.105   3.802
   34   3HZ   LYS   3          3HZ       LYS   3  12.520   1.937   4.562
   35    H    VAL   4           H        VAL   4  13.192  -3.066   1.163
   36    HA   VAL   4           HA       VAL   4  10.555  -2.861   0.913
   37    HB   VAL   4           HB       VAL   4  12.550  -2.160  -0.652
   38   1HG1  VAL   4          1HG1      VAL   4  13.193  -4.161  -1.652
   39   2HG1  VAL   4          2HG1      VAL   4  12.160  -3.426  -2.878
   40   3HG1  VAL   4          3HG1      VAL   4  11.529  -4.714  -1.847
   41   1HG2  VAL   4          1HG2      VAL   4   9.907  -1.725  -0.662
   42   2HG2  VAL   4          2HG2      VAL   4  10.090  -2.539  -2.218
   43   3HG2  VAL   4          3HG2      VAL   4  11.011  -1.075  -1.872
   44    H    GLY   5           H        GLY   5  12.504  -5.668   0.017
   45   1HA   GLY   5          2HA       GLY   5  10.797  -7.163  -1.419
   46   2HA   GLY   5          1HA       GLY   5  11.853  -7.881  -0.209
   47    H    PHE   6           H        PHE   6  10.631  -6.742   2.070
   48    HA   PHE   6           HA       PHE   6   7.978  -7.963   1.921
   49   1HB   PHE   6          2HB       PHE   6   8.582  -8.265   4.548
   50   2HB   PHE   6          1HB       PHE   6   8.841  -9.511   3.333
   51    HD1  PHE   6           1HD      PHE   6  10.447  -6.950   5.407
   52    HD2  PHE   6           2HD      PHE   6  11.053 -10.095   2.604
   53    HE1  PHE   6           1HE      PHE   6  12.850  -6.961   5.942
   54    HE2  PHE   6           2HE      PHE   6  13.456 -10.111   3.134
   55    HZ   PHE   6           HZ       PHE   6  14.356  -8.543   4.807
   56    H    PHE   7           H        PHE   7   9.308  -5.118   1.961
   57    HA   PHE   7           HA       PHE   7   7.707  -4.005   4.141
   58   1HB   PHE   7          2HB       PHE   7  10.251  -3.457   3.479
   59   2HB   PHE   7          1HB       PHE   7   9.427  -2.250   2.502
   60    HD1  PHE   7           1HD      PHE   7  10.406  -0.429   3.714
   61    HD2  PHE   7           2HD      PHE   7   7.999  -3.317   5.701
   62    HE1  PHE   7           1HE      PHE   7  10.226   1.072   5.648
   63    HE2  PHE   7           2HE      PHE   7   7.806  -1.824   7.647
   64    HZ   PHE   7           HZ       PHE   7   8.920   0.373   7.625
   65    H    LYS   8           H        LYS   8   8.273  -3.510   0.679
   66    HA   LYS   8           HA       LYS   8   6.424  -1.463   0.379
   67   1HB   LYS   8          2HB       LYS   8   6.427  -2.101  -2.051
   68   2HB   LYS   8          1HB       LYS   8   7.992  -1.771  -1.311
   69   1HG   LYS   8          2HG       LYS   8   7.551  -3.830  -2.949
   70   2HG   LYS   8          1HG       LYS   8   8.757  -3.841  -1.674
   71   1HD   LYS   8          2HD       LYS   8   7.715  -5.869  -1.372
   72   2HD   LYS   8          1HD       LYS   8   6.854  -4.840  -0.227
   73   1HE   LYS   8          2HE       LYS   8   4.940  -5.217  -1.243
   74   2HE   LYS   8          1HE       LYS   8   5.597  -4.689  -2.794
   75   1HZ   LYS   8          1HZ       LYS   8   5.848  -7.423  -1.655
   76   2HZ   LYS   8          2HZ       LYS   8   6.457  -6.916  -3.150
   77   3HZ   LYS   8          3HZ       LYS   8   4.785  -6.969  -2.892
   78    H    ARG   9           H        ARG   9   5.816  -4.602   1.233
   79    HA   ARG   9           HA       ARG   9   3.043  -4.457   0.264
   80   1HB   ARG   9          2HB       ARG   9   3.442  -6.555  -0.459
   81   2HB   ARG   9          1HB       ARG   9   4.954  -6.650   0.429
   82   1HG   ARG   9          2HG       ARG   9   2.674  -6.867   2.196
   83   2HG   ARG   9          1HG       ARG   9   2.635  -8.082   0.918
   84   1HD   ARG   9          2HD       ARG   9   5.088  -8.508   1.504
   85   2HD   ARG   9          1HD       ARG   9   4.765  -7.591   2.975
   86    HE   ARG   9           HE       ARG   9   3.270 -10.027   2.256
   87   1HH1  ARG   9          1HH1      ARG   9   4.972  -8.046   4.564
   88   2HH1  ARG   9          2HH1      ARG   9   4.663  -9.109   5.896
   89   1HH2  ARG   9          1HH2      ARG   9   2.857 -11.429   4.004
   90   2HH2  ARG   9          2HH2      ARG   9   3.462 -11.032   5.578
   91    H    ASN  10           H        ASN  10   5.180  -4.504   2.913
   92    HA   ASN  10           HA       ASN  10   3.164  -5.033   4.930
   93   1HB   ASN  10          2HB       ASN  10   5.393  -5.925   5.280
   94   2HB   ASN  10          1HB       ASN  10   6.098  -4.316   5.102
   95   1HD2  ASN  10          1HD2      ASN  10   5.928  -2.852   6.785
   96   2HD2  ASN  10          2HD2      ASN  10   5.440  -3.314   8.376
   97    H    ARG  11           H        ARG  11   5.629  -2.496   4.789
   98    HA   ARG  11           HA       ARG  11   5.592  -0.288   5.284
   99   1HB   ARG  11          2HB       ARG  11   4.131  -0.207   3.297
  100   2HB   ARG  11          1HB       ARG  11   2.738  -0.434   4.339
  101   1HG   ARG  11          2HG       ARG  11   2.637   1.806   4.253
  102   2HG   ARG  11          1HG       ARG  11   3.858   1.702   5.523
  103   1HD   ARG  11          2HD       ARG  11   4.529   1.852   2.594
  104   2HD   ARG  11          1HD       ARG  11   4.382   3.275   3.625
  105    HE   ARG  11           HE       ARG  11   6.489   1.256   3.716
  106   1HH1  ARG  11          1HH1      ARG  11   5.055   4.128   5.081
  107   2HH1  ARG  11          2HH1      ARG  11   6.473   4.566   5.972
  108   1HH2  ARG  11          1HH2      ARG  11   8.358   1.833   4.878
  109   2HH2  ARG  11          2HH2      ARG  11   8.350   3.260   5.859
  110   1H    LYS  12          1HT       LYS  12  17.180   4.911  -0.943
  111   2H    LYS  12          2HT       LYS  12  15.733   5.565  -1.527
  112   3H    LYS  12          3HT       LYS  12  16.332   4.123  -2.177
  113    HA   LYS  12           HA       LYS  12  15.086   3.029  -0.773
  114   1HB   LYS  12          2HB       LYS  12  17.244   2.933   0.409
  115   2HB   LYS  12          1HB       LYS  12  16.769   4.339   1.357
  116   1HG   LYS  12          2HG       LYS  12  14.641   2.633   1.706
  117   2HG   LYS  12          1HG       LYS  12  16.030   1.537   1.666
  118   1HD   LYS  12          2HD       LYS  12  16.488   2.087   3.755
  119   2HD   LYS  12          1HD       LYS  12  16.756   3.756   3.259
  120   1HE   LYS  12          2HE       LYS  12  13.988   3.452   3.347
  121   2HE   LYS  12          1HE       LYS  12  14.583   2.598   4.768
  122   1HZ   LYS  12          1HZ       LYS  12  15.514   4.509   5.636
  123   2HZ   LYS  12          2HZ       LYS  12  14.086   5.096   4.946
  124   3HZ   LYS  12          3HZ       LYS  12  15.561   5.306   4.144
  125    H    LEU  13           H        LEU  13  14.795   6.325  -0.703
  126    HA   LEU  13           HA       LEU  13  12.747   6.221   1.364
  127   1HB   LEU  13          2HB       LEU  13  13.764   8.598  -0.198
  128   2HB   LEU  13          1HB       LEU  13  12.669   8.655   1.170
  129    HG   LEU  13           HG       LEU  13  14.562   9.107   2.320
  130   1HD1  LEU  13          1HD1      LEU  13  14.686   6.101   2.024
  131   2HD1  LEU  13          2HD1      LEU  13  14.028   7.060   3.357
  132   3HD1  LEU  13          3HD1      LEU  13  15.769   7.008   3.091
  133   1HD2  LEU  13          1HD2      LEU  13  16.679   9.018   1.486
  134   2HD2  LEU  13          2HD2      LEU  13  15.771   8.930  -0.024
  135   3HD2  LEU  13          3HD2      LEU  13  16.426   7.461   0.699
  136    H    LEU  14           H        LEU  14  12.623   4.967  -1.317
  137    HA   LEU  14           HA       LEU  14  10.498   6.365  -2.694
  138   1HB   LEU  14          2HB       LEU  14  10.491   4.277  -4.116
  139   2HB   LEU  14          1HB       LEU  14  11.986   5.193  -4.117
  140    HG   LEU  14           HG       LEU  14  11.966   3.098  -2.082
  141   1HD1  LEU  14          1HD1      LEU  14  11.116   2.455  -4.820
  142   2HD1  LEU  14          2HD1      LEU  14  10.912   1.550  -3.320
  143   3HD1  LEU  14          3HD1      LEU  14  12.443   1.477  -4.192
  144   1HD2  LEU  14          1HD2      LEU  14  14.115   2.556  -3.291
  145   2HD2  LEU  14          2HD2      LEU  14  13.999   4.182  -2.618
  146   3HD2  LEU  14          3HD2      LEU  14  13.768   3.925  -4.347
  147    H    ILE  15           H        ILE  15  10.802   4.440  -0.035
  148    HA   ILE  15           HA       ILE  15   8.346   2.945  -0.284
  149    HB   ILE  15           HB       ILE  15  10.117   3.304   2.139
  150   1HG1  ILE  15          2HG1      ILE  15  11.415   2.451   0.273
  151   2HG1  ILE  15          1HG1      ILE  15  11.156   1.182   1.468
  152   1HG2  ILE  15          1HG2      ILE  15   8.555   0.831   1.647
  153   2HG2  ILE  15          2HG2      ILE  15   7.653   2.263   2.148
  154   3HG2  ILE  15          3HG2      ILE  15   8.949   1.638   3.167
  155   1HD1  ILE  15          1HD1      ILE  15   9.643   0.054   0.116
  156   2HD1  ILE  15          2HD1      ILE  15  10.900   0.593  -1.001
  157   3HD1  ILE  15          3HD1      ILE  15   9.368   1.463  -0.911
  158    H    THR  16           H        THR  16   8.243   5.876  -0.417
  159    HA   THR  16           HA       THR  16   6.482   6.363   1.892
  160    HB   THR  16           HB       THR  16   8.559   7.757   1.887
  161    HG1  THR  16           1HG      THR  16   6.893   9.779   1.571
  162   1HG2  THR  16          1HG2      THR  16   8.930   9.473   0.330
  163   2HG2  THR  16          2HG2      THR  16   7.368   9.215  -0.447
  164   3HG2  THR  16          3HG2      THR  16   8.649   8.016  -0.623
  165    H    ILE  17           H        ILE  17   6.972   6.610  -1.549
  166    HA   ILE  17           HA       ILE  17   4.163   7.438  -1.842
  167    HB   ILE  17           HB       ILE  17   6.363   8.824  -2.766
  168   1HG1  ILE  17          2HG1      ILE  17   4.131   9.735  -2.402
  169   2HG1  ILE  17          1HG1      ILE  17   4.719  10.171  -4.003
  170   1HG2  ILE  17          1HG2      ILE  17   5.573   6.878  -4.813
  171   2HG2  ILE  17          2HG2      ILE  17   7.064   7.805  -4.635
  172   3HG2  ILE  17          3HG2      ILE  17   5.645   8.550  -5.371
  173   1HD1  ILE  17          1HD1      ILE  17   3.177   7.703  -3.980
  174   2HD1  ILE  17          2HD1      ILE  17   3.035   9.125  -5.014
  175   3HD1  ILE  17          3HD1      ILE  17   2.268   9.109  -3.427
  176    H    HIS  18           H        HIS  18   6.773   5.419  -3.096
  177    HA   HIS  18           HA       HIS  18   5.182   4.154  -5.093
  178   1HB   HIS  18          2HB       HIS  18   7.222   3.523  -5.752
  179   2HB   HIS  18          1HB       HIS  18   7.918   4.084  -4.237
  180    HD1  HIS  18           1HD      HIS  18   7.828   2.223  -2.239
  181    HD2  HIS  18           2HD      HIS  18   7.370   0.843  -6.131
  182    HE1  HIS  18           1HE      HIS  18   8.293  -0.246  -2.137
  183    HE2  HIS  18           2HE      HIS  18   8.055  -1.053  -4.511
  184    H    ASP  19           H        ASP  19   5.722   3.664  -1.714
  185    HA   ASP  19           HA       ASP  19   4.731   0.991  -1.589
  186   1HB   ASP  19          2HB       ASP  19   5.830   2.922   0.230
  187   2HB   ASP  19          1HB       ASP  19   4.347   2.261   0.911
  188    H    ARG  20           H        ARG  20   3.298   4.005  -2.045
  189    HA   ARG  20           HA       ARG  20   0.761   3.353  -0.830
  190   1HB   ARG  20          2HB       ARG  20   2.033   5.712  -1.910
  191   2HB   ARG  20          1HB       ARG  20   0.390   5.546  -2.511
  192   1HG   ARG  20          2HG       ARG  20  -0.238   6.547  -0.630
  193   2HG   ARG  20          1HG       ARG  20   0.126   5.020   0.174
  194   1HD   ARG  20          2HD       ARG  20   2.587   6.105   0.092
  195   2HD   ARG  20          1HD       ARG  20   1.611   7.572   0.174
  196    HE   ARG  20           HE       ARG  20   1.816   5.492   2.217
  197   1HH1  ARG  20          1HH1      ARG  20   0.435   8.509   1.146
  198   2HH1  ARG  20          2HH1      ARG  20  -0.102   8.971   2.727
  199   1HH2  ARG  20          1HH2      ARG  20   1.106   6.091   4.297
  200   2HH2  ARG  20          2HH2      ARG  20   0.279   7.596   4.516
  201    H    LYS  21           H        LYS  21   2.348   2.880  -3.769
  202    HA   LYS  21           HA       LYS  21  -0.153   2.331  -5.201
  203   1HB   LYS  21          2HB       LYS  21   2.163   1.985  -6.856
  204   2HB   LYS  21          1HB       LYS  21   0.853   3.145  -7.023
  205   1HG   LYS  21          2HG       LYS  21   1.994   4.797  -5.869
  206   2HG   LYS  21          1HG       LYS  21   3.082   3.643  -5.095
  207   1HD   LYS  21          2HD       LYS  21   4.476   4.535  -6.688
  208   2HD   LYS  21          1HD       LYS  21   3.814   3.157  -7.569
  209   1HE   LYS  21          2HE       LYS  21   3.448   4.749  -9.142
  210   2HE   LYS  21          1HE       LYS  21   1.973   4.983  -8.204
  211   1HZ   LYS  21          1HZ       LYS  21   2.924   7.102  -8.558
  212   2HZ   LYS  21          2HZ       LYS  21   4.462   6.587  -8.079
  213   3HZ   LYS  21          3HZ       LYS  21   3.222   6.718  -6.937
  214    H    GLU  22           H        GLU  22   2.563   0.898  -3.698
  215    HA   GLU  22           HA       GLU  22   2.476  -1.618  -5.054
  216   1HB   GLU  22          2HB       GLU  22   3.885  -0.458  -2.691
  217   2HB   GLU  22          1HB       GLU  22   3.787  -2.204  -2.817
  218   1HG   GLU  22          2HG       GLU  22   4.637  -0.887  -5.279
  219   2HG   GLU  22          1HG       GLU  22   5.728  -0.637  -3.909
  220    H    PHE  23           H        PHE  23   0.257  -0.172  -3.270
  221    HA   PHE  23           HA       PHE  23  -0.657  -2.635  -1.937
  222   1HB   PHE  23          2HB       PHE  23  -0.170  -1.082  -0.223
  223   2HB   PHE  23          1HB       PHE  23  -0.859   0.259  -1.119
  224    HD1  PHE  23           1HD      PHE  23  -1.814  -2.952   0.502
  225    HD2  PHE  23           2HD      PHE  23  -2.982   0.982  -0.619
  226    HE1  PHE  23           1HE      PHE  23  -3.923  -3.230   1.740
  227    HE2  PHE  23           2HE      PHE  23  -5.092   0.714   0.613
  228    HZ   PHE  23           HZ       PHE  23  -5.565  -1.394   1.799
  229    H    ALA  24           H        ALA  24  -1.234  -0.340  -4.333
  230    HA   ALA  24           HA       ALA  24  -4.112  -0.564  -4.339
  231   1HB   ALA  24          1HB       ALA  24  -3.472   1.522  -5.072
  232   2HB   ALA  24          2HB       ALA  24  -3.763   0.679  -6.595
  233   3HB   ALA  24          3HB       ALA  24  -2.114   0.896  -6.009
  234    H    LYS  25           H        LYS  25  -3.268  -3.016  -4.387
  235    HA   LYS  25           HA       LYS  25  -2.833  -4.163  -6.961
  236   1HB   LYS  25          2HB       LYS  25  -3.712  -6.249  -5.589
  237   2HB   LYS  25          1HB       LYS  25  -2.125  -5.566  -5.260
  238   1HG   LYS  25          2HG       LYS  25  -2.707  -5.266  -3.143
  239   2HG   LYS  25          1HG       LYS  25  -3.986  -4.152  -3.653
  240   1HD   LYS  25          2HD       LYS  25  -5.604  -5.822  -3.637
  241   2HD   LYS  25          1HD       LYS  25  -4.416  -7.120  -3.756
  242   1HE   LYS  25          2HE       LYS  25  -3.701  -6.728  -1.481
  243   2HE   LYS  25          1HE       LYS  25  -4.775  -5.334  -1.353
  244   1HZ   LYS  25          1HZ       LYS  25  -5.414  -8.188  -1.293
  245   2HZ   LYS  25          2HZ       LYS  25  -6.552  -7.147  -1.991
  246   3HZ   LYS  25          3HZ       LYS  25  -6.065  -6.914  -0.387
  247    H    PHE  26           H        PHE  26  -5.530  -4.311  -4.725
  248    HA   PHE  26           HA       PHE  26  -7.450  -4.464  -6.953
  249   1HB   PHE  26          2HB       PHE  26  -7.677  -6.490  -5.775
  250   2HB   PHE  26          1HB       PHE  26  -7.331  -5.717  -4.233
  251    HD1  PHE  26           1HD      PHE  26  -9.036  -5.053  -2.824
  252    HD2  PHE  26           2HD      PHE  26  -9.917  -5.986  -6.880
  253    HE1  PHE  26           1HE      PHE  26 -11.441  -4.924  -2.325
  254    HE2  PHE  26           2HE      PHE  26 -12.326  -5.857  -6.392
  255    HZ   PHE  26           HZ       PHE  26 -13.091  -5.327  -4.112
  256    H    GLU  27           H        GLU  27  -6.177  -2.798  -4.354
  257    HA   GLU  27           HA       GLU  27  -8.356  -1.342  -3.360
  258   1HB   GLU  27          2HB       GLU  27  -5.415  -0.672  -3.508
  259   2HB   GLU  27          1HB       GLU  27  -6.583   0.205  -2.547
  260   1HG   GLU  27          2HG       GLU  27  -5.707  -2.641  -2.199
  261   2HG   GLU  27          1HG       GLU  27  -5.419  -1.279  -1.115
  262    H    GLU  28           H        GLU  28  -6.485  -1.087  -6.256
  263    HA   GLU  28           HA       GLU  28  -7.178   1.636  -6.858
  264   1HB   GLU  28          2HB       GLU  28  -6.279   1.113  -9.109
  265   2HB   GLU  28          1HB       GLU  28  -5.161   0.678  -7.823
  266   1HG   GLU  28          2HG       GLU  28  -5.609  -1.619  -8.072
  267   2HG   GLU  28          1HG       GLU  28  -7.027  -1.312  -9.070
  268    H    GLU  29           H        GLU  29  -8.813  -1.226  -6.775
  269    HA   GLU  29           HA       GLU  29 -10.860  -0.306  -8.683
  270   1HB   GLU  29          2HB       GLU  29 -10.653  -3.175  -7.850
  271   2HB   GLU  29          1HB       GLU  29 -11.287  -2.493  -9.343
  272   1HG   GLU  29          2HG       GLU  29  -8.415  -2.075  -8.900
  273   2HG   GLU  29          1HG       GLU  29  -8.910  -3.752  -9.110
  274    H    ARG  30           H        ARG  30 -10.061  -0.714  -5.510
  275    HA   ARG  30           HA       ARG  30 -12.794  -1.312  -4.631
  276   1HB   ARG  30          2HB       ARG  30 -11.230  -2.773  -3.628
  277   2HB   ARG  30          1HB       ARG  30 -10.101  -1.471  -3.295
  278   1HG   ARG  30          2HG       ARG  30 -12.745  -1.272  -2.003
  279   2HG   ARG  30          1HG       ARG  30 -11.688  -2.571  -1.452
  280   1HD   ARG  30          2HD       ARG  30  -9.927  -0.550  -1.483
  281   2HD   ARG  30          1HD       ARG  30 -11.406   0.357  -1.168
  282    HE   ARG  30           HE       ARG  30 -10.267  -1.736   0.550
  283   1HH1  ARG  30          1HH1      ARG  30 -12.523   0.870   0.031
  284   2HH1  ARG  30          2HH1      ARG  30 -12.973   0.983   1.700
  285   1HH2  ARG  30          1HH2      ARG  30 -10.853  -1.597   2.746
  286   2HH2  ARG  30          2HH2      ARG  30 -12.021  -0.420   3.246
  287    H    ALA  31           H        ALA  31 -10.345   1.162  -4.653
  288    HA   ALA  31           HA       ALA  31 -12.129   2.915  -3.095
  289   1HB   ALA  31          1HB       ALA  31  -9.125   2.957  -3.286
  290   2HB   ALA  31          2HB       ALA  31 -10.087   2.508  -1.877
  291   3HB   ALA  31          3HB       ALA  31 -10.095   4.174  -2.458
  292    H    ARG  32           H        ARG  32 -11.780   2.315  -6.069
  293    HA   ARG  32           HA       ARG  32 -11.288   5.077  -6.977
  294   1HB   ARG  32          2HB       ARG  32 -10.207   2.713  -7.927
  295   2HB   ARG  32          1HB       ARG  32 -11.498   3.054  -9.070
  296   1HG   ARG  32          2HG       ARG  32  -9.277   3.967  -9.714
  297   2HG   ARG  32          1HG       ARG  32 -10.561   5.173  -9.614
  298   1HD   ARG  32          2HD       ARG  32  -9.658   5.376  -7.131
  299   2HD   ARG  32          1HD       ARG  32  -8.180   4.773  -7.882
  300    HE   ARG  32           HE       ARG  32  -9.504   7.324  -8.437
  301   1HH1  ARG  32          1HH1      ARG  32  -6.853   5.130  -8.990
  302   2HH1  ARG  32          2HH1      ARG  32  -5.863   6.321  -9.765
  303   1HH2  ARG  32          1HH2      ARG  32  -8.217   8.892  -9.457
  304   2HH2  ARG  32          2HH2      ARG  32  -6.638   8.465 -10.031
  305    H    ALA  33           H        ALA  33 -13.219   2.283  -8.046
  306    HA   ALA  33           HA       ALA  33 -15.125   3.605  -9.486
  307   1HB   ALA  33          1HB       ALA  33 -14.769   1.025  -8.544
  308   2HB   ALA  33          2HB       ALA  33 -16.033   1.578  -9.644
  309   3HB   ALA  33          3HB       ALA  33 -16.344   1.506  -7.909
  310    H    LYS  34           H        LYS  34 -14.690   3.635  -6.067
  311    HA   LYS  34           HA       LYS  34 -17.217   4.279  -5.123
  312   1HB   LYS  34          2HB       LYS  34 -15.936   5.649  -3.395
  313   2HB   LYS  34          1HB       LYS  34 -15.521   3.944  -3.507
  314   1HG   LYS  34          2HG       LYS  34 -13.505   4.434  -4.662
  315   2HG   LYS  34          1HG       LYS  34 -13.981   6.113  -4.907
  316   1HD   LYS  34          2HD       LYS  34 -13.125   4.757  -2.366
  317   2HD   LYS  34          1HD       LYS  34 -12.414   6.163  -3.160
  318   1HE   LYS  34          2HE       LYS  34 -13.611   7.436  -1.783
  319   2HE   LYS  34          1HE       LYS  34 -15.048   6.902  -2.653
  320   1HZ   LYS  34          1HZ       LYS  34 -14.821   6.587  -0.073
  321   2HZ   LYS  34          2HZ       LYS  34 -13.998   5.181  -0.527
  322   3HZ   LYS  34          3HZ       LYS  34 -15.596   5.423  -1.027
  323    H    TRP  35           H        TRP  35 -14.636   6.507  -6.092
  324    HA   TRP  35           HA       TRP  35 -16.587   8.648  -6.419
  325   1HB   TRP  35          2HB       TRP  35 -14.518  10.058  -6.720
  326   2HB   TRP  35          1HB       TRP  35 -14.680   9.318  -5.135
  327    HD1  TRP  35           HD       TRP  35 -13.161   7.947  -8.429
  328    HE1  TRP  35           1HE      TRP  35 -10.800   7.165  -7.924
  329    HE3  TRP  35           3HE      TRP  35 -12.910   9.210  -3.488
  330    HZ2  TRP  35           2HZ      TRP  35  -9.012   7.068  -5.732
  331    HZ3  TRP  35           3HZ      TRP  35 -10.841   8.729  -2.256
  332    HH2  TRP  35           HH       TRP  35  -8.927   7.681  -3.354
  333    H    ASP  36           H        ASP  36 -15.285   6.216  -8.123
  334    HA   ASP  36           HA       ASP  36 -15.286   7.693 -10.672
  335   1HB   ASP  36          2HB       ASP  36 -13.418   5.836  -9.553
  336   2HB   ASP  36          1HB       ASP  36 -14.150   5.095 -10.980
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1  14.251  -4.907  -3.658
    2   2H    MET   1          2HT       MET   1  14.451  -5.845  -2.265
    3   3H    MET   1          3HT       MET   1  15.458  -6.091  -3.601
    4    HA   MET   1           HA       MET   1  16.747  -4.302  -3.176
    5   1HB   MET   1          2HB       MET   1  14.350  -3.089  -1.800
    6   2HB   MET   1          1HB       MET   1  15.897  -2.288  -2.032
    7   1HG   MET   1          2HG       MET   1  14.105  -3.247  -4.251
    8   2HG   MET   1          1HG       MET   1  14.184  -1.591  -3.653
    9   1HE   MET   1          1HE       MET   1  16.783  -1.162  -2.869
   10   2HE   MET   1          2HE       MET   1  17.054  -0.082  -4.239
   11   3HE   MET   1          3HE       MET   1  18.158  -1.426  -3.942
   12    H    TRP   2           H        TRP   2  15.106  -3.540  -0.262
   13    HA   TRP   2           HA       TRP   2  17.022  -5.155   1.271
   14   1HB   TRP   2          2HB       TRP   2  16.026  -2.863   2.678
   15   2HB   TRP   2          1HB       TRP   2  17.689  -3.244   2.254
   16    HD1  TRP   2           HD       TRP   2  18.744  -1.862   0.301
   17    HE1  TRP   2           1HE      TRP   2  17.901   0.072  -1.176
   18    HE3  TRP   2           3HE      TRP   2  13.766  -1.983   1.512
   19    HZ2  TRP   2           2HZ      TRP   2  15.437   1.356  -1.703
   20    HZ3  TRP   2           3HZ      TRP   2  12.272  -0.342   0.466
   21    HH2  TRP   2           HH       TRP   2  13.110   1.281  -1.110
   22    H    LYS   3           H        LYS   3  14.457  -3.171   2.583
   23    HA   LYS   3           HA       LYS   3  13.237  -5.499   3.843
   24   1HB   LYS   3          2HB       LYS   3  12.033  -3.934   5.194
   25   2HB   LYS   3          1HB       LYS   3  13.696  -3.364   5.129
   26   1HG   LYS   3          2HG       LYS   3  11.880  -2.282   3.076
   27   2HG   LYS   3          1HG       LYS   3  11.527  -1.812   4.737
   28   1HD   LYS   3          2HD       LYS   3  13.759  -0.925   5.003
   29   2HD   LYS   3          1HD       LYS   3  14.210  -1.513   3.403
   30   1HE   LYS   3          2HE       LYS   3  13.750   0.860   3.324
   31   2HE   LYS   3          1HE       LYS   3  12.563  -0.041   2.373
   32   1HZ   LYS   3          1HZ       LYS   3  12.102   1.759   4.459
   33   2HZ   LYS   3          2HZ       LYS   3  11.624   0.234   5.011
   34   3HZ   LYS   3          3HZ       LYS   3  10.962   0.863   3.589
   35    H    VAL   4           H        VAL   4  12.870  -3.269   1.344
   36    HA   VAL   4           HA       VAL   4  10.323  -2.921   0.768
   37    HB   VAL   4           HB       VAL   4  12.493  -2.400  -0.588
   38   1HG1  VAL   4          1HG1      VAL   4  12.377  -3.790  -2.762
   39   2HG1  VAL   4          2HG1      VAL   4  11.538  -4.989  -1.773
   40   3HG1  VAL   4          3HG1      VAL   4  13.181  -4.496  -1.359
   41   1HG2  VAL   4          1HG2      VAL   4  11.176  -1.400  -2.124
   42   2HG2  VAL   4          2HG2      VAL   4   9.925  -1.852  -0.969
   43   3HG2  VAL   4          3HG2      VAL   4  10.204  -2.843  -2.403
   44    H    GLY   5           H        GLY   5  12.113  -5.905   0.045
   45   1HA   GLY   5          2HA       GLY   5  10.417  -7.294  -1.476
   46   2HA   GLY   5          1HA       GLY   5  11.286  -8.068  -0.158
   47    H    PHE   6           H        PHE   6   9.989  -6.893   2.007
   48    HA   PHE   6           HA       PHE   6   7.244  -7.804   1.580
   49   1HB   PHE   6          2HB       PHE   6   7.336  -8.453   4.076
   50   2HB   PHE   6          1HB       PHE   6   8.152  -9.503   2.922
   51    HD1  PHE   6           1HD      PHE   6  10.490  -9.837   3.008
   52    HD2  PHE   6           2HD      PHE   6   8.660  -6.891   5.475
   53    HE1  PHE   6           1HE      PHE   6  12.583  -9.606   4.278
   54    HE2  PHE   6           2HE      PHE   6  10.751  -6.653   6.749
   55    HZ   PHE   6           HZ       PHE   6  12.716  -8.011   6.151
   56    H    PHE   7           H        PHE   7   8.851  -5.124   1.835
   57    HA   PHE   7           HA       PHE   7   7.213  -3.894   3.919
   58   1HB   PHE   7          2HB       PHE   7   9.841  -3.594   3.414
   59   2HB   PHE   7          1HB       PHE   7   9.191  -2.269   2.456
   60    HD1  PHE   7           1HD      PHE   7   9.790  -0.372   3.621
   61    HD2  PHE   7           2HD      PHE   7   7.951  -3.593   5.701
   62    HE1  PHE   7           1HE      PHE   7   9.607   1.039   5.621
   63    HE2  PHE   7           2HE      PHE   7   7.752  -2.190   7.710
   64    HZ   PHE   7           HZ       PHE   7   8.583   0.132   7.676
   65    H    LYS   8           H        LYS   8   7.984  -3.505   0.493
   66    HA   LYS   8           HA       LYS   8   6.382  -1.246   0.117
   67   1HB   LYS   8          2HB       LYS   8   6.469  -1.874  -2.313
   68   2HB   LYS   8          1HB       LYS   8   8.011  -1.703  -1.482
   69   1HG   LYS   8          2HG       LYS   8   7.422  -3.720  -3.155
   70   2HG   LYS   8          1HG       LYS   8   8.606  -3.811  -1.862
   71   1HD   LYS   8          2HD       LYS   8   7.436  -5.732  -1.486
   72   2HD   LYS   8          1HD       LYS   8   6.542  -4.613  -0.456
   73   1HE   LYS   8          2HE       LYS   8   4.691  -4.957  -1.596
   74   2HE   LYS   8          1HE       LYS   8   5.484  -4.524  -3.112
   75   1HZ   LYS   8          1HZ       LYS   8   4.482  -6.874  -2.830
   76   2HZ   LYS   8          2HZ       LYS   8   5.890  -7.201  -1.953
   77   3HZ   LYS   8          3HZ       LYS   8   5.996  -6.711  -3.568
   78    H    ARG   9           H        ARG   9   5.459  -4.284   0.959
   79    HA   ARG   9           HA       ARG   9   2.760  -3.926  -0.152
   80   1HB   ARG   9          2HB       ARG   9   2.779  -6.097  -0.726
   81   2HB   ARG   9          1HB       ARG   9   4.448  -6.200  -0.192
   82   1HG   ARG   9          2HG       ARG   9   3.114  -6.437   2.168
   83   2HG   ARG   9          1HG       ARG   9   2.006  -7.229   1.045
   84   1HD   ARG   9          2HD       ARG   9   4.469  -8.198   0.289
   85   2HD   ARG   9          1HD       ARG   9   4.604  -8.095   2.043
   86    HE   ARG   9           HE       ARG   9   2.358  -9.503   0.763
   87   1HH1  ARG   9          1HH1      ARG   9   5.045  -9.426   2.979
   88   2HH1  ARG   9          2HH1      ARG   9   4.702 -10.985   3.651
   89   1HH2  ARG   9          1HH2      ARG   9   1.899 -11.557   1.641
   90   2HH2  ARG   9          2HH2      ARG   9   2.915 -12.197   2.890
   91    H    ASN  10           H        ASN  10   4.760  -3.963   2.536
   92    HA   ASN  10           HA       ASN  10   2.658  -4.405   4.503
   93   1HB   ASN  10          2HB       ASN  10   4.677  -5.510   5.036
   94   2HB   ASN  10          1HB       ASN  10   5.649  -4.094   4.624
   95   1HD2  ASN  10          1HD2      ASN  10   3.482  -5.512   6.976
   96   2HD2  ASN  10          2HD2      ASN  10   3.921  -4.482   8.292
   97    H    ARG  11           H        ARG  11   5.339  -2.109   4.558
   98    HA   ARG  11           HA       ARG  11   5.474   0.091   5.074
   99   1HB   ARG  11          2HB       ARG  11   4.099   0.313   3.017
  100   2HB   ARG  11          1HB       ARG  11   2.660   0.257   4.021
  101   1HG   ARG  11          2HG       ARG  11   2.820   2.488   3.976
  102   2HG   ARG  11          1HG       ARG  11   4.039   2.245   5.228
  103   1HD   ARG  11          2HD       ARG  11   4.693   2.309   2.293
  104   2HD   ARG  11          1HD       ARG  11   4.699   3.749   3.309
  105    HE   ARG  11           HE       ARG  11   6.536   1.466   3.541
  106   1HH1  ARG  11          1HH1      ARG  11   5.611   4.720   4.383
  107   2HH1  ARG  11          2HH1      ARG  11   7.132   5.099   5.120
  108   1HH2  ARG  11          1HH2      ARG  11   8.545   1.965   4.503
  109   2HH2  ARG  11          2HH2      ARG  11   8.798   3.534   5.189
  110   1H    LYS  12          1HT       LYS  12  17.001   4.678  -0.595
  111   2H    LYS  12          2HT       LYS  12  15.630   5.006  -1.530
  112   3H    LYS  12          3HT       LYS  12  16.507   3.583  -1.786
  113    HA   LYS  12           HA       LYS  12  14.898   2.693  -0.549
  114   1HB   LYS  12          2HB       LYS  12  17.021   2.501   0.703
  115   2HB   LYS  12          1HB       LYS  12  16.575   3.933   1.625
  116   1HG   LYS  12          2HG       LYS  12  14.370   2.398   1.977
  117   2HG   LYS  12          1HG       LYS  12  15.633   1.164   1.864
  118   1HD   LYS  12          2HD       LYS  12  16.771   3.045   3.486
  119   2HD   LYS  12          1HD       LYS  12  15.080   3.100   3.978
  120   1HE   LYS  12          2HE       LYS  12  15.139   0.629   4.236
  121   2HE   LYS  12          1HE       LYS  12  16.867   0.673   3.893
  122   1HZ   LYS  12          1HZ       LYS  12  15.584   1.064   6.344
  123   2HZ   LYS  12          2HZ       LYS  12  16.314   2.529   5.917
  124   3HZ   LYS  12          3HZ       LYS  12  17.243   1.120   6.014
  125    H    LEU  13           H        LEU  13  14.834   5.984  -0.583
  126    HA   LEU  13           HA       LEU  13  12.674   6.089   1.376
  127   1HB   LEU  13          2HB       LEU  13  14.366   8.169   0.046
  128   2HB   LEU  13          1HB       LEU  13  12.823   8.616   0.750
  129    HG   LEU  13           HG       LEU  13  13.525   8.152   2.928
  130   1HD1  LEU  13          1HD1      LEU  13  14.545   5.879   2.223
  131   2HD1  LEU  13          2HD1      LEU  13  15.249   6.732   3.604
  132   3HD1  LEU  13          3HD1      LEU  13  16.049   6.794   2.035
  133   1HD2  LEU  13          1HD2      LEU  13  14.907   9.940   1.449
  134   2HD2  LEU  13          2HD2      LEU  13  16.222   8.949   2.080
  135   3HD2  LEU  13          3HD2      LEU  13  15.098   9.734   3.190
  136    H    LEU  14           H        LEU  14  12.637   4.810  -1.268
  137    HA   LEU  14           HA       LEU  14  10.684   6.339  -2.783
  138   1HB   LEU  14          2HB       LEU  14  10.775   4.423  -4.339
  139   2HB   LEU  14          1HB       LEU  14  12.358   5.113  -4.036
  140    HG   LEU  14           HG       LEU  14  12.123   3.061  -2.142
  141   1HD1  LEU  14          1HD1      LEU  14  11.654   1.556  -4.571
  142   2HD1  LEU  14          2HD1      LEU  14  10.249   2.520  -4.112
  143   3HD1  LEU  14          3HD1      LEU  14  10.942   1.370  -2.969
  144   1HD2  LEU  14          1HD2      LEU  14  14.139   2.608  -2.972
  145   2HD2  LEU  14          2HD2      LEU  14  13.874   3.922  -4.117
  146   3HD2  LEU  14          3HD2      LEU  14  13.484   2.263  -4.573
  147    H    ILE  15           H        ILE  15  10.850   4.195  -0.252
  148    HA   ILE  15           HA       ILE  15   8.381   2.789  -0.660
  149    HB   ILE  15           HB       ILE  15  10.165   2.998   1.777
  150   1HG1  ILE  15          2HG1      ILE  15  11.348   2.087  -0.128
  151   2HG1  ILE  15          1HG1      ILE  15  11.022   0.811   1.041
  152   1HG2  ILE  15          1HG2      ILE  15   8.357   0.683   1.265
  153   2HG2  ILE  15          2HG2      ILE  15   7.668   2.158   1.947
  154   3HG2  ILE  15          3HG2      ILE  15   8.968   1.319   2.793
  155   1HD1  ILE  15          1HD1      ILE  15   9.410  -0.175  -0.306
  156   2HD1  ILE  15          2HD1      ILE  15  10.669   0.316  -1.441
  157   3HD1  ILE  15          3HD1      ILE  15   9.200   1.280  -1.282
  158    H    THR  16           H        THR  16   8.818   5.906  -0.153
  159    HA   THR  16           HA       THR  16   6.832   6.213   1.977
  160    HB   THR  16           HB       THR  16   8.976   7.547   1.994
  161    HG1  THR  16           1HG      THR  16   7.877   8.909   3.127
  162   1HG2  THR  16          1HG2      THR  16   8.037   8.350  -0.600
  163   2HG2  THR  16          2HG2      THR  16   9.587   8.656   0.185
  164   3HG2  THR  16          3HG2      THR  16   8.227   9.744   0.465
  165    H    ILE  17           H        ILE  17   7.280   6.691  -1.465
  166    HA   ILE  17           HA       ILE  17   4.488   7.614  -1.618
  167    HB   ILE  17           HB       ILE  17   6.561   9.131  -2.388
  168   1HG1  ILE  17          2HG1      ILE  17   4.121   9.696  -2.299
  169   2HG1  ILE  17          1HG1      ILE  17   4.992  10.455  -3.626
  170   1HG2  ILE  17          1HG2      ILE  17   5.954   7.368  -4.728
  171   2HG2  ILE  17          2HG2      ILE  17   7.516   7.895  -4.099
  172   3HG2  ILE  17          3HG2      ILE  17   6.486   9.035  -4.966
  173   1HD1  ILE  17          1HD1      ILE  17   3.811   7.902  -4.361
  174   2HD1  ILE  17          2HD1      ILE  17   3.713   9.473  -5.156
  175   3HD1  ILE  17          3HD1      ILE  17   2.627   9.092  -3.820
  176    H    HIS  18           H        HIS  18   6.988   5.627  -3.150
  177    HA   HIS  18           HA       HIS  18   5.322   4.638  -5.222
  178   1HB   HIS  18          2HB       HIS  18   7.311   3.932  -5.947
  179   2HB   HIS  18          1HB       HIS  18   8.041   4.337  -4.402
  180    HD1  HIS  18           1HD      HIS  18   7.641   2.281  -2.527
  181    HD2  HIS  18           2HD      HIS  18   7.570   1.331  -6.572
  182    HE1  HIS  18           1HE      HIS  18   8.068  -0.193  -2.645
  183    HE2  HIS  18           2HE      HIS  18   8.075  -0.736  -5.103
  184    H    ASP  19           H        ASP  19   5.609   3.903  -1.892
  185    HA   ASP  19           HA       ASP  19   4.571   1.235  -2.022
  186   1HB   ASP  19          2HB       ASP  19   5.929   2.482  -0.124
  187   2HB   ASP  19          1HB       ASP  19   4.316   2.907   0.440
  188    H    ARG  20           H        ARG  20   3.250   4.360  -2.224
  189    HA   ARG  20           HA       ARG  20   0.651   3.798  -1.192
  190   1HB   ARG  20          2HB       ARG  20   2.013   6.034  -2.481
  191   2HB   ARG  20          1HB       ARG  20   0.311   5.913  -2.902
  192   1HG   ARG  20          2HG       ARG  20  -0.011   7.109  -1.044
  193   2HG   ARG  20          1HG       ARG  20   0.229   5.574  -0.207
  194   1HD   ARG  20          2HD       ARG  20   2.794   6.582  -0.703
  195   2HD   ARG  20          1HD       ARG  20   1.839   7.959  -0.155
  196    HE   ARG  20           HE       ARG  20   2.359   5.502   1.366
  197   1HH1  ARG  20          1HH1      ARG  20   1.163   8.768   1.199
  198   2HH1  ARG  20          2HH1      ARG  20   1.027   8.945   2.917
  199   1HH2  ARG  20          1HH2      ARG  20   2.183   5.723   3.630
  200   2HH2  ARG  20          2HH2      ARG  20   1.609   7.214   4.299
  201    H    LYS  21           H        LYS  21   2.261   2.856  -3.942
  202    HA   LYS  21           HA       LYS  21  -0.248   2.406  -5.415
  203   1HB   LYS  21          2HB       LYS  21   1.993   1.994  -7.111
  204   2HB   LYS  21          1HB       LYS  21   0.760   3.243  -7.221
  205   1HG   LYS  21          2HG       LYS  21   2.042   4.796  -6.099
  206   2HG   LYS  21          1HG       LYS  21   3.057   3.567  -5.340
  207   1HD   LYS  21          2HD       LYS  21   4.515   4.272  -6.940
  208   2HD   LYS  21          1HD       LYS  21   3.652   3.057  -7.885
  209   1HE   LYS  21          2HE       LYS  21   3.643   4.893  -9.299
  210   2HE   LYS  21          1HE       LYS  21   2.073   5.014  -8.504
  211   1HZ   LYS  21          1HZ       LYS  21   3.856   6.392  -6.905
  212   2HZ   LYS  21          2HZ       LYS  21   2.647   7.048  -7.891
  213   3HZ   LYS  21          3HZ       LYS  21   4.217   6.860  -8.491
  214    H    GLU  22           H        GLU  22   2.790   1.029  -4.332
  215    HA   GLU  22           HA       GLU  22   2.591  -1.491  -5.517
  216   1HB   GLU  22          2HB       GLU  22   4.031  -0.310  -3.190
  217   2HB   GLU  22          1HB       GLU  22   3.983  -2.056  -3.330
  218   1HG   GLU  22          2HG       GLU  22   4.801  -0.434  -5.684
  219   2HG   GLU  22          1HG       GLU  22   5.944  -0.681  -4.360
  220    H    PHE  23           H        PHE  23   0.761  -0.030  -3.075
  221    HA   PHE  23           HA       PHE  23  -0.143  -2.597  -1.984
  222   1HB   PHE  23          2HB       PHE  23   0.538  -0.815  -0.388
  223   2HB   PHE  23          1HB       PHE  23  -0.754   0.203  -1.013
  224    HD1  PHE  23           1HD      PHE  23  -2.779   0.197   0.070
  225    HD2  PHE  23           2HD      PHE  23  -0.228  -3.188   0.452
  226    HE1  PHE  23           1HE      PHE  23  -4.345  -0.797   1.686
  227    HE2  PHE  23           2HE      PHE  23  -1.791  -4.189   2.066
  228    HZ   PHE  23           HZ       PHE  23  -3.852  -2.994   2.686
  229    H    ALA  24           H        ALA  24  -1.458   0.460  -3.277
  230    HA   ALA  24           HA       ALA  24  -4.102  -0.662  -3.527
  231   1HB   ALA  24          1HB       ALA  24  -3.982   1.659  -3.022
  232   2HB   ALA  24          2HB       ALA  24  -4.606   1.520  -4.666
  233   3HB   ALA  24          3HB       ALA  24  -2.923   1.971  -4.396
  234    H    LYS  25           H        LYS  25  -2.158  -2.140  -4.901
  235    HA   LYS  25           HA       LYS  25  -2.214  -1.605  -7.711
  236   1HB   LYS  25          2HB       LYS  25  -1.538  -4.155  -7.672
  237   2HB   LYS  25          1HB       LYS  25  -0.404  -2.933  -7.113
  238   1HG   LYS  25          2HG       LYS  25  -0.257  -4.018  -5.186
  239   2HG   LYS  25          1HG       LYS  25  -1.954  -3.612  -4.869
  240   1HD   LYS  25          2HD       LYS  25  -1.665  -5.994  -4.662
  241   2HD   LYS  25          1HD       LYS  25  -2.611  -5.663  -6.115
  242   1HE   LYS  25          2HE       LYS  25   0.090  -5.659  -6.903
  243   2HE   LYS  25          1HE       LYS  25  -0.114  -7.054  -5.844
  244   1HZ   LYS  25          1HZ       LYS  25  -1.414  -8.095  -7.327
  245   2HZ   LYS  25          2HZ       LYS  25  -0.685  -7.061  -8.450
  246   3HZ   LYS  25          3HZ       LYS  25  -2.204  -6.680  -7.813
  247    H    PHE  26           H        PHE  26  -3.623  -4.064  -5.653
  248    HA   PHE  26           HA       PHE  26  -5.916  -4.356  -7.469
  249   1HB   PHE  26          2HB       PHE  26  -4.718  -6.416  -7.497
  250   2HB   PHE  26          1HB       PHE  26  -4.416  -6.328  -5.766
  251    HD1  PHE  26           1HD      PHE  26  -6.931  -7.073  -8.336
  252    HD2  PHE  26           2HD      PHE  26  -6.001  -7.111  -4.186
  253    HE1  PHE  26           1HE      PHE  26  -8.890  -8.499  -7.916
  254    HE2  PHE  26           2HE      PHE  26  -7.957  -8.537  -3.755
  255    HZ   PHE  26           HZ       PHE  26  -9.406  -9.234  -5.622
  256    H    GLU  27           H        GLU  27  -4.680  -3.564  -4.452
  257    HA   GLU  27           HA       GLU  27  -6.668  -4.123  -2.631
  258   1HB   GLU  27          2HB       GLU  27  -4.429  -2.250  -2.883
  259   2HB   GLU  27          1HB       GLU  27  -5.697  -1.693  -1.814
  260   1HG   GLU  27          2HG       GLU  27  -4.228  -4.302  -1.621
  261   2HG   GLU  27          1HG       GLU  27  -3.988  -2.889  -0.587
  262    H    GLU  28           H        GLU  28  -6.518  -1.628  -5.081
  263    HA   GLU  28           HA       GLU  28  -8.495   0.106  -4.154
  264   1HB   GLU  28          2HB       GLU  28  -8.884   0.566  -6.635
  265   2HB   GLU  28          1HB       GLU  28  -7.251   0.821  -6.032
  266   1HG   GLU  28          2HG       GLU  28  -6.418  -1.040  -7.118
  267   2HG   GLU  28          1HG       GLU  28  -8.005  -1.797  -7.255
  268    H    GLU  29           H        GLU  29  -8.699  -2.930  -5.892
  269    HA   GLU  29           HA       GLU  29 -11.584  -2.816  -6.105
  270   1HB   GLU  29          2HB       GLU  29 -10.916  -3.994  -7.923
  271   2HB   GLU  29          1HB       GLU  29  -9.409  -4.494  -7.167
  272   1HG   GLU  29          2HG       GLU  29 -10.444  -6.315  -6.085
  273   2HG   GLU  29          1HG       GLU  29 -12.060  -5.721  -6.468
  274    H    ARG  30           H        ARG  30  -9.123  -4.337  -4.137
  275    HA   ARG  30           HA       ARG  30 -10.780  -6.205  -2.806
  276   1HB   ARG  30          2HB       ARG  30  -8.090  -5.678  -2.858
  277   2HB   ARG  30          1HB       ARG  30  -8.535  -5.115  -1.252
  278   1HG   ARG  30          2HG       ARG  30  -9.449  -7.800  -2.167
  279   2HG   ARG  30          1HG       ARG  30  -7.783  -7.579  -1.630
  280   1HD   ARG  30          2HD       ARG  30 -10.298  -7.040  -0.059
  281   2HD   ARG  30          1HD       ARG  30  -9.102  -8.300   0.240
  282    HE   ARG  30           HE       ARG  30  -7.841  -5.790   0.336
  283   1HH1  ARG  30          1HH1      ARG  30 -10.111  -7.727   2.135
  284   2HH1  ARG  30          2HH1      ARG  30  -9.699  -7.022   3.663
  285   1HH2  ARG  30          1HH2      ARG  30  -7.292  -4.855   2.345
  286   2HH2  ARG  30          2HH2      ARG  30  -8.098  -5.390   3.782
  287    H    ALA  31           H        ALA  31 -10.597  -2.841  -2.657
  288    HA   ALA  31           HA       ALA  31 -11.972  -2.797  -0.054
  289   1HB   ALA  31          1HB       ALA  31 -10.222  -0.711  -1.347
  290   2HB   ALA  31          2HB       ALA  31  -9.922  -1.590   0.152
  291   3HB   ALA  31          3HB       ALA  31 -11.225  -0.405   0.070
  292    H    ARG  32           H        ARG  32 -12.517  -2.725  -3.239
  293    HA   ARG  32           HA       ARG  32 -14.502  -0.599  -3.283
  294   1HB   ARG  32          2HB       ARG  32 -12.963  -2.164  -5.208
  295   2HB   ARG  32          1HB       ARG  32 -14.636  -1.995  -5.654
  296   1HG   ARG  32          2HG       ARG  32 -12.475   0.017  -5.550
  297   2HG   ARG  32          1HG       ARG  32 -13.783  -0.174  -6.713
  298   1HD   ARG  32          2HD       ARG  32 -14.433   0.694  -3.933
  299   2HD   ARG  32          1HD       ARG  32 -13.721   1.857  -5.051
  300    HE   ARG  32           HE       ARG  32 -16.116   0.377  -5.865
  301   1HH1  ARG  32          1HH1      ARG  32 -14.575   3.373  -4.980
  302   2HH1  ARG  32          2HH1      ARG  32 -15.878   4.362  -5.549
  303   1HH2  ARG  32          1HH2      ARG  32 -17.840   1.673  -6.616
  304   2HH2  ARG  32          2HH2      ARG  32 -17.733   3.396  -6.478
  305    H    ALA  33           H        ALA  33 -14.427  -4.005  -4.295
  306    HA   ALA  33           HA       ALA  33 -17.128  -4.425  -4.475
  307   1HB   ALA  33          1HB       ALA  33 -15.442  -6.643  -3.435
  308   2HB   ALA  33          2HB       ALA  33 -15.059  -5.948  -5.009
  309   3HB   ALA  33          3HB       ALA  33 -16.651  -6.647  -4.719
  310    H    LYS  34           H        LYS  34 -15.375  -3.906  -1.560
  311    HA   LYS  34           HA       LYS  34 -17.059  -5.442   0.145
  312   1HB   LYS  34          2HB       LYS  34 -16.176  -3.234   1.650
  313   2HB   LYS  34          1HB       LYS  34 -15.543  -4.869   1.667
  314   1HG   LYS  34          2HG       LYS  34 -13.758  -4.333   0.325
  315   2HG   LYS  34          1HG       LYS  34 -14.566  -2.939  -0.399
  316   1HD   LYS  34          2HD       LYS  34 -12.942  -2.047   1.064
  317   2HD   LYS  34          1HD       LYS  34 -14.484  -1.878   1.905
  318   1HE   LYS  34          2HE       LYS  34 -13.790  -4.258   2.853
  319   2HE   LYS  34          1HE       LYS  34 -12.174  -3.653   2.492
  320   1HZ   LYS  34          1HZ       LYS  34 -12.808  -1.630   3.806
  321   2HZ   LYS  34          2HZ       LYS  34 -12.645  -3.053   4.707
  322   3HZ   LYS  34          3HZ       LYS  34 -14.185  -2.470   4.317
  323    H    TRP  35           H        TRP  35 -17.068  -2.062  -0.862
  324    HA   TRP  35           HA       TRP  35 -19.723  -1.734   0.334
  325   1HB   TRP  35          2HB       TRP  35 -19.322   0.705  -0.063
  326   2HB   TRP  35          1HB       TRP  35 -18.170  -0.032   1.044
  327    HD1  TRP  35           HD       TRP  35 -18.108   0.074  -2.826
  328    HE1  TRP  35           1HE      TRP  35 -15.933   1.150  -3.539
  329    HE3  TRP  35           3HE      TRP  35 -16.174   1.185   1.776
  330    HZ2  TRP  35           2HZ      TRP  35 -13.638   2.312  -2.365
  331    HZ3  TRP  35           3HZ      TRP  35 -13.969   2.268   1.885
  332    HH2  TRP  35           HH       TRP  35 -12.728   2.817  -0.140
  333    H    ASP  36           H        ASP  36 -18.279  -2.506  -2.509
  334    HA   ASP  36           HA       ASP  36 -20.362  -1.265  -4.166
  335   1HB   ASP  36          2HB       ASP  36 -17.535  -1.610  -4.509
  336   2HB   ASP  36          1HB       ASP  36 -18.379  -2.500  -5.780
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1  16.449  -5.125  -3.238
    2   2H    MET   1          2HT       MET   1  15.038  -4.683  -2.420
    3   3H    MET   1          3HT       MET   1  16.089  -5.821  -1.740
    4    HA   MET   1           HA       MET   1  17.672  -3.647  -2.166
    5   1HB   MET   1          2HB       MET   1  15.007  -2.797  -1.037
    6   2HB   MET   1          1HB       MET   1  16.449  -1.796  -1.134
    7   1HG   MET   1          2HG       MET   1  14.955  -2.935  -3.484
    8   2HG   MET   1          1HG       MET   1  14.835  -1.279  -2.895
    9   1HE   MET   1          1HE       MET   1  17.258  -0.546  -1.951
   10   2HE   MET   1          2HE       MET   1  17.760   0.442  -3.326
   11   3HE   MET   1          3HE       MET   1  18.777  -0.892  -2.779
   12    H    TRP   2           H        TRP   2  15.601  -3.225   0.530
   13    HA   TRP   2           HA       TRP   2  17.505  -4.652   2.259
   14   1HB   TRP   2          2HB       TRP   2  16.020  -2.565   3.569
   15   2HB   TRP   2          1HB       TRP   2  17.765  -2.730   3.401
   16    HD1  TRP   2           HD       TRP   2  18.929  -1.207   1.618
   17    HE1  TRP   2           1HE      TRP   2  18.099   0.698   0.098
   18    HE3  TRP   2           3HE      TRP   2  13.866  -1.821   2.162
   19    HZ2  TRP   2           2HZ      TRP   2  15.624   1.769  -0.716
   20    HZ3  TRP   2           3HZ      TRP   2  12.372  -0.280   0.972
   21    HH2  TRP   2           HH       TRP   2  13.249   1.463  -0.444
   22    H    LYS   3           H        LYS   3  14.526  -3.049   3.141
   23    HA   LYS   3           HA       LYS   3  13.425  -5.571   4.158
   24   1HB   LYS   3          2HB       LYS   3  11.993  -4.232   5.515
   25   2HB   LYS   3          1HB       LYS   3  13.599  -3.526   5.662
   26   1HG   LYS   3          2HG       LYS   3  11.862  -2.430   3.546
   27   2HG   LYS   3          1HG       LYS   3  11.355  -2.123   5.204
   28   1HD   LYS   3          2HD       LYS   3  13.459  -1.061   5.696
   29   2HD   LYS   3          1HD       LYS   3  14.093  -1.503   4.110
   30   1HE   LYS   3          2HE       LYS   3  12.550  -0.072   2.992
   31   2HE   LYS   3          1HE       LYS   3  11.668   0.232   4.498
   32   1HZ   LYS   3          1HZ       LYS   3  13.074   1.839   5.056
   33   2HZ   LYS   3          2HZ       LYS   3  13.680   1.761   3.480
   34   3HZ   LYS   3          3HZ       LYS   3  14.438   0.896   4.718
   35    H    VAL   4           H        VAL   4  13.200  -3.202   1.798
   36    HA   VAL   4           HA       VAL   4  10.712  -2.887   0.992
   37    HB   VAL   4           HB       VAL   4  12.932  -2.181  -0.136
   38   1HG1  VAL   4          1HG1      VAL   4  13.879  -4.216  -0.813
   39   2HG1  VAL   4          2HG1      VAL   4  13.202  -3.561  -2.305
   40   3HG1  VAL   4          3HG1      VAL   4  12.344  -4.834  -1.430
   41   1HG2  VAL   4          1HG2      VAL   4  11.713  -1.288  -1.817
   42   2HG2  VAL   4          2HG2      VAL   4  10.381  -1.879  -0.827
   43   3HG2  VAL   4          3HG2      VAL   4  10.929  -2.816  -2.217
   44    H    GLY   5           H        GLY   5  12.628  -5.807   0.387
   45   1HA   GLY   5          2HA       GLY   5  11.124  -7.133  -1.401
   46   2HA   GLY   5          1HA       GLY   5  11.890  -7.961  -0.051
   47    H    PHE   6           H        PHE   6  10.374  -6.883   2.029
   48    HA   PHE   6           HA       PHE   6   7.707  -7.844   1.325
   49   1HB   PHE   6          2HB       PHE   6   7.480  -8.962   3.412
   50   2HB   PHE   6          1HB       PHE   6   9.062  -9.418   2.789
   51    HD1  PHE   6           1HD      PHE   6   7.308  -8.300   5.599
   52    HD2  PHE   6           2HD      PHE   6  11.043  -7.877   3.605
   53    HE1  PHE   6           1HE      PHE   6   8.340  -7.549   7.702
   54    HE2  PHE   6           2HE      PHE   6  12.083  -7.125   5.705
   55    HZ   PHE   6           HZ       PHE   6  10.733  -6.961   7.756
   56    H    PHE   7           H        PHE   7   9.221  -5.147   1.791
   57    HA   PHE   7           HA       PHE   7   7.419  -3.994   3.773
   58   1HB   PHE   7          2HB       PHE   7  10.009  -3.588   3.553
   59   2HB   PHE   7          1HB       PHE   7   9.493  -2.409   2.353
   60    HD1  PHE   7           1HD      PHE   7   7.729  -3.270   5.500
   61    HD2  PHE   7           2HD      PHE   7  10.030  -0.401   3.365
   62    HE1  PHE   7           1HE      PHE   7   7.257  -1.600   7.244
   63    HE2  PHE   7           2HE      PHE   7   9.578   1.274   5.100
   64    HZ   PHE   7           HZ       PHE   7   8.179   0.674   7.045
   65    H    LYS   8           H        LYS   8   8.424  -3.437   0.427
   66    HA   LYS   8           HA       LYS   8   6.726  -1.278  -0.009
   67   1HB   LYS   8          2HB       LYS   8   7.039  -1.774  -2.428
   68   2HB   LYS   8          1HB       LYS   8   8.514  -1.644  -1.477
   69   1HG   LYS   8          2HG       LYS   8   7.990  -3.592  -3.298
   70   2HG   LYS   8          1HG       LYS   8   9.175  -3.683  -2.010
   71   1HD   LYS   8          2HD       LYS   8   8.116  -5.643  -1.636
   72   2HD   LYS   8          1HD       LYS   8   7.080  -4.596  -0.662
   73   1HE   LYS   8          2HE       LYS   8   5.347  -5.194  -1.880
   74   2HE   LYS   8          1HE       LYS   8   6.107  -4.488  -3.305
   75   1HZ   LYS   8          1HZ       LYS   8   6.951  -7.166  -2.474
   76   2HZ   LYS   8          2HZ       LYS   8   6.845  -6.504  -4.027
   77   3HZ   LYS   8          3HZ       LYS   8   5.444  -7.010  -3.225
   78    H    ARG   9           H        ARG   9   5.889  -4.375   0.685
   79    HA   ARG   9           HA       ARG   9   3.271  -4.133  -0.631
   80   1HB   ARG   9          2HB       ARG   9   3.824  -6.229  -1.332
   81   2HB   ARG   9          1HB       ARG   9   5.039  -6.430  -0.082
   82   1HG   ARG   9          2HG       ARG   9   2.660  -6.537   1.314
   83   2HG   ARG   9          1HG       ARG   9   2.304  -7.384  -0.193
   84   1HD   ARG   9          2HD       ARG   9   4.827  -8.287   0.567
   85   2HD   ARG   9          1HD       ARG   9   3.900  -8.223   2.065
   86    HE   ARG   9           HE       ARG   9   2.607  -9.961   1.308
   87   1HH1  ARG   9          1HH1      ARG   9   4.484  -8.686  -1.338
   88   2HH1  ARG   9          2HH1      ARG   9   4.075  -9.975  -2.418
   89   1HH2  ARG   9          1HH2      ARG   9   2.064 -11.662  -0.107
   90   2HH2  ARG   9          2HH2      ARG   9   2.698 -11.666  -1.719
   91    H    ASN  10           H        ASN  10   5.070  -4.266   2.255
   92    HA   ASN  10           HA       ASN  10   2.784  -4.667   4.004
   93   1HB   ASN  10          2HB       ASN  10   4.849  -5.768   4.621
   94   2HB   ASN  10          1HB       ASN  10   5.729  -4.238   4.532
   95   1HD2  ASN  10          1HD2      ASN  10   3.553  -6.203   6.381
   96   2HD2  ASN  10          2HD2      ASN  10   3.607  -5.266   7.832
   97    H    ARG  11           H        ARG  11   5.459  -2.376   4.281
   98    HA   ARG  11           HA       ARG  11   5.539  -0.167   4.774
   99   1HB   ARG  11          2HB       ARG  11   4.113  -0.164   2.646
  100   2HB   ARG  11          1HB       ARG  11   2.750   0.091   3.713
  101   1HG   ARG  11          2HG       ARG  11   4.593   1.990   2.645
  102   2HG   ARG  11          1HG       ARG  11   3.127   2.272   3.578
  103   1HD   ARG  11          2HD       ARG  11   4.639   3.262   4.962
  104   2HD   ARG  11          1HD       ARG  11   4.740   1.619   5.587
  105    HE   ARG  11           HE       ARG  11   6.722   1.384   4.064
  106   1HH1  ARG  11          1HH1      ARG  11   5.725   4.482   5.309
  107   2HH1  ARG  11          2HH1      ARG  11   7.305   5.182   5.194
  108   1HH2  ARG  11          1HH2      ARG  11   8.807   2.297   3.907
  109   2HH2  ARG  11          2HH2      ARG  11   9.057   3.941   4.395
  110   1H    LYS  12          1HT       LYS  12  15.348   5.724  -1.036
  111   2H    LYS  12          2HT       LYS  12  15.646   4.254  -1.816
  112   3H    LYS  12          3HT       LYS  12  16.744   4.840  -0.671
  113    HA   LYS  12           HA       LYS  12  14.783   3.059  -0.203
  114   1HB   LYS  12          2HB       LYS  12  16.758   3.354   1.152
  115   2HB   LYS  12          1HB       LYS  12  16.184   4.924   1.705
  116   1HG   LYS  12          2HG       LYS  12  14.163   2.996   2.266
  117   2HG   LYS  12          1HG       LYS  12  15.718   2.372   2.841
  118   1HD   LYS  12          2HD       LYS  12  15.824   3.860   4.500
  119   2HD   LYS  12          1HD       LYS  12  15.332   5.194   3.457
  120   1HE   LYS  12          2HE       LYS  12  13.206   3.275   4.105
  121   2HE   LYS  12          1HE       LYS  12  13.836   4.172   5.485
  122   1HZ   LYS  12          1HZ       LYS  12  13.349   6.228   4.362
  123   2HZ   LYS  12          2HZ       LYS  12  11.949   5.280   4.414
  124   3HZ   LYS  12          3HZ       LYS  12  12.832   5.404   2.976
  125    H    LEU  13           H        LEU  13  14.306   6.463  -0.202
  126    HA   LEU  13           HA       LEU  13  11.967   6.248   1.470
  127   1HB   LEU  13          2HB       LEU  13  13.286   8.511   0.000
  128   2HB   LEU  13          1HB       LEU  13  11.686   8.702   0.694
  129    HG   LEU  13           HG       LEU  13  12.488   8.418   2.904
  130   1HD1  LEU  13          1HD1      LEU  13  14.032   6.502   2.352
  131   2HD1  LEU  13          2HD1      LEU  13  14.671   7.676   3.514
  132   3HD1  LEU  13          3HD1      LEU  13  15.218   7.713   1.839
  133   1HD2  LEU  13          1HD2      LEU  13  14.840   9.929   2.145
  134   2HD2  LEU  13          2HD2      LEU  13  13.403  10.442   3.028
  135   3HD2  LEU  13          3HD2      LEU  13  13.402  10.449   1.265
  136    H    LEU  14           H        LEU  14  12.442   4.964  -1.270
  137    HA   LEU  14           HA       LEU  14  10.371   5.981  -2.958
  138   1HB   LEU  14          2HB       LEU  14  10.712   3.859  -4.208
  139   2HB   LEU  14          1HB       LEU  14  12.190   4.768  -3.965
  140    HG   LEU  14           HG       LEU  14  11.814   2.824  -1.836
  141   1HD1  LEU  14          1HD1      LEU  14  11.787   0.823  -2.989
  142   2HD1  LEU  14          2HD1      LEU  14  12.256   1.571  -4.515
  143   3HD1  LEU  14          3HD1      LEU  14  10.618   1.782  -3.895
  144   1HD2  LEU  14          1HD2      LEU  14  13.906   4.026  -2.509
  145   2HD2  LEU  14          2HD2      LEU  14  13.946   3.021  -3.957
  146   3HD2  LEU  14          3HD2      LEU  14  14.073   2.277  -2.363
  147    H    ILE  15           H        ILE  15  10.584   4.028  -0.216
  148    HA   ILE  15           HA       ILE  15   8.115   2.585  -0.628
  149    HB   ILE  15           HB       ILE  15   9.784   2.755   1.886
  150   1HG1  ILE  15          2HG1      ILE  15  11.211   2.066   0.050
  151   2HG1  ILE  15          1HG1      ILE  15  10.872   0.686   1.091
  152   1HG2  ILE  15          1HG2      ILE  15   8.305   0.312   1.117
  153   2HG2  ILE  15          2HG2      ILE  15   7.329   1.694   1.619
  154   3HG2  ILE  15          3HG2      ILE  15   8.550   1.036   2.708
  155   1HD1  ILE  15          1HD1      ILE  15   9.709  -0.402  -0.501
  156   2HD1  ILE  15          2HD1      ILE  15  10.724   0.579  -1.561
  157   3HD1  ILE  15          3HD1      ILE  15   9.070   1.082  -1.210
  158    H    THR  16           H        THR  16   8.388   5.635  -0.333
  159    HA   THR  16           HA       THR  16   6.486   5.985   1.883
  160    HB   THR  16           HB       THR  16   8.352   7.959   0.559
  161    HG1  THR  16           1HG      THR  16   8.219   7.025   3.231
  162   1HG2  THR  16          1HG2      THR  16   6.002   8.427   2.255
  163   2HG2  THR  16          2HG2      THR  16   6.828   9.501   1.125
  164   3HG2  THR  16          3HG2      THR  16   7.479   9.257   2.746
  165    H    ILE  17           H        ILE  17   7.051   6.544  -1.531
  166    HA   ILE  17           HA       ILE  17   4.264   7.464  -1.771
  167    HB   ILE  17           HB       ILE  17   6.459   8.931  -2.480
  168   1HG1  ILE  17          2HG1      ILE  17   4.144   9.727  -2.193
  169   2HG1  ILE  17          1HG1      ILE  17   4.886  10.383  -3.647
  170   1HG2  ILE  17          1HG2      ILE  17   5.536   7.434  -4.913
  171   2HG2  ILE  17          2HG2      ILE  17   7.180   7.642  -4.307
  172   3HG2  ILE  17          3HG2      ILE  17   6.320   9.011  -5.013
  173   1HD1  ILE  17          1HD1      ILE  17   3.622   8.064  -4.496
  174   2HD1  ILE  17          2HD1      ILE  17   3.075   9.724  -4.737
  175   3HD1  ILE  17          3HD1      ILE  17   2.500   8.797  -3.351
  176    H    HIS  18           H        HIS  18   6.845   5.546  -3.258
  177    HA   HIS  18           HA       HIS  18   5.210   4.565  -5.376
  178   1HB   HIS  18          2HB       HIS  18   7.220   3.977  -6.150
  179   2HB   HIS  18          1HB       HIS  18   7.953   4.385  -4.606
  180    HD1  HIS  18           1HD      HIS  18   7.781   2.297  -2.781
  181    HD2  HIS  18           2HD      HIS  18   7.514   1.385  -6.825
  182    HE1  HIS  18           1HE      HIS  18   8.321  -0.153  -2.955
  183    HE2  HIS  18           2HE      HIS  18   8.096  -0.695  -5.404
  184    H    ASP  19           H        ASP  19   5.652   3.723  -2.073
  185    HA   ASP  19           HA       ASP  19   4.700   1.031  -2.252
  186   1HB   ASP  19          2HB       ASP  19   6.073   2.147  -0.351
  187   2HB   ASP  19          1HB       ASP  19   4.513   2.724   0.226
  188    H    ARG  20           H        ARG  20   3.285   4.164  -2.108
  189    HA   ARG  20           HA       ARG  20   0.722   3.456  -1.137
  190   1HB   ARG  20          2HB       ARG  20   2.036   5.803  -2.168
  191   2HB   ARG  20          1HB       ARG  20   0.427   5.657  -2.860
  192   1HG   ARG  20          2HG       ARG  20   0.290   6.998  -0.889
  193   2HG   ARG  20          1HG       ARG  20  -0.484   5.446  -0.560
  194   1HD   ARG  20          2HD       ARG  20   2.403   5.769   0.094
  195   2HD   ARG  20          1HD       ARG  20   1.211   6.530   1.148
  196    HE   ARG  20           HE       ARG  20   0.927   3.683   0.527
  197   1HH1  ARG  20          1HH1      ARG  20   1.682   6.194   2.824
  198   2HH1  ARG  20          2HH1      ARG  20   1.540   5.153   4.200
  199   1HH2  ARG  20          1HH2      ARG  20   0.746   2.307   2.333
  200   2HH2  ARG  20          2HH2      ARG  20   1.009   2.945   3.922
  201    H    LYS  21           H        LYS  21   2.305   2.621  -3.919
  202    HA   LYS  21           HA       LYS  21  -0.214   2.146  -5.363
  203   1HB   LYS  21          2HB       LYS  21   2.032   1.983  -7.122
  204   2HB   LYS  21          1HB       LYS  21   0.666   3.087  -7.183
  205   1HG   LYS  21          2HG       LYS  21   1.786   4.749  -6.047
  206   2HG   LYS  21          1HG       LYS  21   2.931   3.624  -5.314
  207   1HD   LYS  21          2HD       LYS  21   4.201   4.717  -6.937
  208   2HD   LYS  21          1HD       LYS  21   3.738   3.206  -7.721
  209   1HE   LYS  21          2HE       LYS  21   2.057   5.661  -8.042
  210   2HE   LYS  21          1HE       LYS  21   3.507   5.438  -9.021
  211   1HZ   LYS  21          1HZ       LYS  21   2.120   3.050  -9.138
  212   2HZ   LYS  21          2HZ       LYS  21   2.286   4.197 -10.370
  213   3HZ   LYS  21          3HZ       LYS  21   0.952   4.260  -9.331
  214    H    GLU  22           H        GLU  22   2.831   0.863  -4.260
  215    HA   GLU  22           HA       GLU  22   2.755  -1.599  -5.646
  216   1HB   GLU  22          2HB       GLU  22   4.250  -0.447  -3.348
  217   2HB   GLU  22          1HB       GLU  22   4.230  -2.191  -3.501
  218   1HG   GLU  22          2HG       GLU  22   4.849  -0.763  -5.977
  219   2HG   GLU  22          1HG       GLU  22   6.026  -0.541  -4.676
  220    H    PHE  23           H        PHE  23   0.724  -0.369  -3.367
  221    HA   PHE  23           HA       PHE  23  -0.029  -3.039  -2.369
  222   1HB   PHE  23          2HB       PHE  23   0.849  -1.457  -0.632
  223   2HB   PHE  23          1HB       PHE  23  -0.501  -0.390  -0.989
  224    HD1  PHE  23           1HD      PHE  23  -2.432  -0.583   0.234
  225    HD2  PHE  23           2HD      PHE  23   0.211  -3.908   0.008
  226    HE1  PHE  23           1HE      PHE  23  -3.827  -1.792   1.854
  227    HE2  PHE  23           2HE      PHE  23  -1.179  -5.129   1.630
  228    HZ   PHE  23           HZ       PHE  23  -3.202  -4.071   2.558
  229    H    ALA  24           H        ALA  24  -0.946  -0.307  -4.159
  230    HA   ALA  24           HA       ALA  24  -3.792  -0.622  -3.770
  231   1HB   ALA  24          1HB       ALA  24  -3.103   1.597  -4.107
  232   2HB   ALA  24          2HB       ALA  24  -3.906   1.120  -5.604
  233   3HB   ALA  24          3HB       ALA  24  -2.145   1.173  -5.525
  234    H    LYS  25           H        LYS  25  -2.824  -3.001  -4.555
  235    HA   LYS  25           HA       LYS  25  -2.960  -3.446  -7.379
  236   1HB   LYS  25          2HB       LYS  25  -3.380  -5.886  -6.432
  237   2HB   LYS  25          1HB       LYS  25  -1.790  -5.142  -6.326
  238   1HG   LYS  25          2HG       LYS  25  -1.837  -5.525  -4.140
  239   2HG   LYS  25          1HG       LYS  25  -3.128  -4.320  -4.013
  240   1HD   LYS  25          2HD       LYS  25  -3.831  -6.381  -2.963
  241   2HD   LYS  25          1HD       LYS  25  -4.785  -6.108  -4.423
  242   1HE   LYS  25          2HE       LYS  25  -3.350  -7.675  -5.644
  243   2HE   LYS  25          1HE       LYS  25  -2.405  -7.947  -4.181
  244   1HZ   LYS  25          1HZ       LYS  25  -4.811  -8.512  -3.263
  245   2HZ   LYS  25          2HZ       LYS  25  -3.829  -9.675  -4.003
  246   3HZ   LYS  25          3HZ       LYS  25  -5.058  -8.921  -4.887
  247    H    PHE  26           H        PHE  26  -5.020  -4.413  -4.701
  248    HA   PHE  26           HA       PHE  26  -7.396  -4.308  -6.428
  249   1HB   PHE  26          2HB       PHE  26  -7.225  -6.513  -5.574
  250   2HB   PHE  26          1HB       PHE  26  -6.658  -5.940  -4.010
  251    HD1  PHE  26           1HD      PHE  26  -8.166  -5.384  -2.280
  252    HD2  PHE  26           2HD      PHE  26  -9.619  -6.302  -6.172
  253    HE1  PHE  26           1HE      PHE  26 -10.452  -5.534  -1.385
  254    HE2  PHE  26           2HE      PHE  26 -11.909  -6.451  -5.286
  255    HZ   PHE  26           HZ       PHE  26 -12.329  -6.067  -2.889
  256    H    GLU  27           H        GLU  27  -5.644  -3.046  -3.878
  257    HA   GLU  27           HA       GLU  27  -7.545  -1.915  -2.189
  258   1HB   GLU  27          2HB       GLU  27  -4.685  -1.526  -2.822
  259   2HB   GLU  27          1HB       GLU  27  -5.480  -0.177  -2.041
  260   1HG   GLU  27          2HG       GLU  27  -5.001  -2.933  -1.026
  261   2HG   GLU  27          1HG       GLU  27  -4.618  -1.382  -0.272
  262    H    GLU  28           H        GLU  28  -6.194  -0.805  -5.246
  263    HA   GLU  28           HA       GLU  28  -7.075   1.847  -5.190
  264   1HB   GLU  28          2HB       GLU  28  -6.925   1.777  -7.638
  265   2HB   GLU  28          1HB       GLU  28  -5.530   1.010  -6.892
  266   1HG   GLU  28          2HG       GLU  28  -6.798  -1.188  -7.227
  267   2HG   GLU  28          1HG       GLU  28  -7.831  -0.267  -8.319
  268    H    GLU  29           H        GLU  29  -8.759  -1.128  -5.705
  269    HA   GLU  29           HA       GLU  29 -11.172   0.193  -6.657
  270   1HB   GLU  29          2HB       GLU  29 -11.196  -1.785  -7.756
  271   2HB   GLU  29          1HB       GLU  29 -10.129  -2.552  -6.590
  272   1HG   GLU  29          2HG       GLU  29 -11.893  -3.177  -5.206
  273   2HG   GLU  29          1HG       GLU  29 -13.011  -2.041  -5.961
  274    H    ARG  30           H        ARG  30  -9.923  -1.473  -3.816
  275    HA   ARG  30           HA       ARG  30 -12.348  -1.451  -2.334
  276   1HB   ARG  30          2HB       ARG  30  -9.808  -2.528  -1.989
  277   2HB   ARG  30          1HB       ARG  30  -9.927  -1.324  -0.713
  278   1HG   ARG  30          2HG       ARG  30 -12.198  -3.199  -1.101
  279   2HG   ARG  30          1HG       ARG  30 -10.721  -3.802  -0.347
  280   1HD   ARG  30          2HD       ARG  30 -12.412  -1.480   0.572
  281   2HD   ARG  30          1HD       ARG  30 -12.244  -3.046   1.364
  282    HE   ARG  30           HE       ARG  30  -9.890  -1.325   1.032
  283   1HH1  ARG  30          1HH1      ARG  30 -12.197  -2.932   3.092
  284   2HH1  ARG  30          2HH1      ARG  30 -11.294  -2.646   4.542
  285   1HH2  ARG  30          1HH2      ARG  30  -8.698  -0.943   2.935
  286   2HH2  ARG  30          2HH2      ARG  30  -9.306  -1.516   4.453
  287    H    ALA  31           H        ALA  31 -10.182   0.932  -3.258
  288    HA   ALA  31           HA       ALA  31 -11.078   2.773  -1.148
  289   1HB   ALA  31          1HB       ALA  31  -8.491   2.261  -2.229
  290   2HB   ALA  31          2HB       ALA  31  -8.949   3.406  -0.968
  291   3HB   ALA  31          3HB       ALA  31  -8.958   3.907  -2.659
  292    H    ARG  32           H        ARG  32 -11.749   1.798  -4.148
  293    HA   ARG  32           HA       ARG  32 -12.266   4.416  -5.330
  294   1HB   ARG  32          2HB       ARG  32 -11.585   1.916  -6.376
  295   2HB   ARG  32          1HB       ARG  32 -13.282   2.114  -6.786
  296   1HG   ARG  32          2HG       ARG  32 -11.703   2.903  -8.532
  297   2HG   ARG  32          1HG       ARG  32 -12.844   4.128  -7.976
  298   1HD   ARG  32          2HD       ARG  32 -10.840   4.638  -6.291
  299   2HD   ARG  32          1HD       ARG  32  -9.904   3.959  -7.624
  300    HE   ARG  32           HE       ARG  32 -11.540   6.392  -7.713
  301   1HH1  ARG  32          1HH1      ARG  32  -9.226   4.247  -9.196
  302   2HH1  ARG  32          2HH1      ARG  32  -8.821   5.354 -10.465
  303   1HH2  ARG  32          1HH2      ARG  32 -11.023   7.848  -9.381
  304   2HH2  ARG  32          2HH2      ARG  32  -9.844   7.402 -10.570
  305    H    ALA  33           H        ALA  33 -14.102   1.420  -4.792
  306    HA   ALA  33           HA       ALA  33 -16.614   2.388  -5.283
  307   1HB   ALA  33          1HB       ALA  33 -16.178   0.034  -4.963
  308   2HB   ALA  33          2HB       ALA  33 -17.448   0.557  -3.856
  309   3HB   ALA  33          3HB       ALA  33 -15.807   0.304  -3.260
  310    H    LYS  34           H        LYS  34 -14.604   3.238  -2.612
  311    HA   LYS  34           HA       LYS  34 -16.675   3.868  -0.776
  312   1HB   LYS  34          2HB       LYS  34 -14.551   5.678  -0.317
  313   2HB   LYS  34          1HB       LYS  34 -14.960   4.238   0.593
  314   1HG   LYS  34          2HG       LYS  34 -13.364   2.953  -0.470
  315   2HG   LYS  34          1HG       LYS  34 -13.266   4.025  -1.872
  316   1HD   LYS  34          2HD       LYS  34 -11.295   4.404  -0.623
  317   2HD   LYS  34          1HD       LYS  34 -12.350   5.783  -0.304
  318   1HE   LYS  34          2HE       LYS  34 -11.565   5.239   1.808
  319   2HE   LYS  34          1HE       LYS  34 -13.122   4.412   1.749
  320   1HZ   LYS  34          1HZ       LYS  34 -11.213   2.661   0.732
  321   2HZ   LYS  34          2HZ       LYS  34 -12.065   2.533   2.187
  322   3HZ   LYS  34          3HZ       LYS  34 -10.564   3.311   2.153
  323    H    TRP  35           H        TRP  35 -14.754   5.934  -2.936
  324    HA   TRP  35           HA       TRP  35 -16.688   8.086  -2.613
  325   1HB   TRP  35          2HB       TRP  35 -15.042   9.355  -4.040
  326   2HB   TRP  35          1HB       TRP  35 -14.407   8.799  -2.496
  327    HD1  TRP  35           HD       TRP  35 -14.690   6.890  -5.848
  328    HE1  TRP  35           1HE      TRP  35 -12.369   6.084  -6.482
  329    HE3  TRP  35           3HE      TRP  35 -12.021   8.949  -2.008
  330    HZ2  TRP  35           2HZ      TRP  35  -9.717   6.256  -5.511
  331    HZ3  TRP  35           3HZ      TRP  35  -9.591   8.572  -1.931
  332    HH2  TRP  35           HH       TRP  35  -8.466   7.250  -3.646
  333    H    ASP  36           H        ASP  36 -16.312   5.435  -4.515
  334    HA   ASP  36           HA       ASP  36 -17.482   6.679  -6.902
  335   1HB   ASP  36          2HB       ASP  36 -15.425   4.816  -6.613
  336   2HB   ASP  36          1HB       ASP  36 -16.811   3.855  -7.138
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1  14.154  -5.126  -3.127
    2   2H    MET   1          2HT       MET   1  14.740  -6.259  -2.017
    3   3H    MET   1          3HT       MET   1  15.423  -6.157  -3.562
    4    HA   MET   1           HA       MET   1  16.852  -4.625  -2.925
    5   1HB   MET   1          2HB       MET   1  14.475  -3.213  -1.713
    6   2HB   MET   1          1HB       MET   1  16.059  -2.496  -1.972
    7   1HG   MET   1          2HG       MET   1  14.277  -3.560  -4.150
    8   2HG   MET   1          1HG       MET   1  14.403  -1.865  -3.683
    9   1HE   MET   1          1HE       MET   1  17.047  -1.502  -2.868
   10   2HE   MET   1          2HE       MET   1  17.264  -0.483  -4.291
   11   3HE   MET   1          3HE       MET   1  18.396  -1.797  -3.967
   12    H    TRP   2           H        TRP   2  15.199  -3.553  -0.126
   13    HA   TRP   2           HA       TRP   2  16.994  -5.138   1.577
   14   1HB   TRP   2          2HB       TRP   2  15.993  -2.733   2.792
   15   2HB   TRP   2          1HB       TRP   2  17.663  -3.197   2.493
   16    HD1  TRP   2           HD       TRP   2  18.879  -1.978   0.541
   17    HE1  TRP   2           1HE      TRP   2  18.205  -0.117  -1.102
   18    HE3  TRP   2           3HE      TRP   2  13.829  -1.859   1.427
   19    HZ2  TRP   2           2HZ      TRP   2  15.844   1.205  -1.874
   20    HZ3  TRP   2           3HZ      TRP   2  12.471  -0.243   0.180
   21    HH2  TRP   2           HH       TRP   2  13.471   1.252  -1.435
   22    H    LYS   3           H        LYS   3  14.436  -3.009   2.657
   23    HA   LYS   3           HA       LYS   3  13.133  -5.205   4.052
   24   1HB   LYS   3          2HB       LYS   3  11.917  -3.512   5.223
   25   2HB   LYS   3          1HB       LYS   3  13.584  -2.954   5.144
   26   1HG   LYS   3          2HG       LYS   3  11.840  -2.068   2.947
   27   2HG   LYS   3          1HG       LYS   3  11.416  -1.456   4.543
   28   1HD   LYS   3          2HD       LYS   3  13.625  -0.526   4.821
   29   2HD   LYS   3          1HD       LYS   3  14.152  -1.255   3.307
   30   1HE   LYS   3          2HE       LYS   3  13.666   1.126   3.041
   31   2HE   LYS   3          1HE       LYS   3  12.605   0.114   2.049
   32   1HZ   LYS   3          1HZ       LYS   3  10.840   0.955   3.076
   33   2HZ   LYS   3          2HZ       LYS   3  11.853   2.062   3.857
   34   3HZ   LYS   3          3HZ       LYS   3  11.462   0.598   4.608
   35    H    VAL   4           H        VAL   4  12.859  -3.132   1.392
   36    HA   VAL   4           HA       VAL   4  10.334  -2.853   0.703
   37    HB   VAL   4           HB       VAL   4  12.565  -2.399  -0.599
   38   1HG1  VAL   4          1HG1      VAL   4  11.596  -5.015  -1.712
   39   2HG1  VAL   4          2HG1      VAL   4  13.238  -4.529  -1.281
   40   3HG1  VAL   4          3HG1      VAL   4  12.473  -3.864  -2.724
   41   1HG2  VAL   4          1HG2      VAL   4  11.294  -1.438  -2.204
   42   2HG2  VAL   4          2HG2      VAL   4  10.016  -1.825  -1.053
   43   3HG2  VAL   4          3HG2      VAL   4  10.300  -2.877  -2.440
   44    H    GLY   5           H        GLY   5  12.172  -5.859   0.219
   45   1HA   GLY   5          2HA       GLY   5  10.550  -7.348  -1.289
   46   2HA   GLY   5          1HA       GLY   5  11.359  -8.037   0.113
   47    H    PHE   6           H        PHE   6   9.968  -6.799   2.160
   48    HA   PHE   6           HA       PHE   6   7.232  -7.694   1.636
   49   1HB   PHE   6          2HB       PHE   6   7.253  -8.179   4.212
   50   2HB   PHE   6          1HB       PHE   6   7.940  -9.353   3.093
   51    HD1  PHE   6           1HD      PHE   6   8.807  -6.585   5.395
   52    HD2  PHE   6           2HD      PHE   6  10.183 -10.001   3.261
   53    HE1  PHE   6           1HE      PHE   6  10.940  -6.485   6.616
   54    HE2  PHE   6           2HE      PHE   6  12.319  -9.907   4.478
   55    HZ   PHE   6           HZ       PHE   6  12.699  -8.147   6.159
   56    H    PHE   7           H        PHE   7   8.867  -5.035   1.857
   57    HA   PHE   7           HA       PHE   7   7.166  -3.697   3.824
   58   1HB   PHE   7          2HB       PHE   7   9.811  -3.446   3.401
   59   2HB   PHE   7          1HB       PHE   7   9.215  -2.167   2.349
   60    HD1  PHE   7           1HD      PHE   7   7.926  -3.320   5.652
   61    HD2  PHE   7           2HD      PHE   7   9.714  -0.193   3.394
   62    HE1  PHE   7           1HE      PHE   7   7.685  -1.801   7.572
   63    HE2  PHE   7           2HE      PHE   7   9.491   1.331   5.304
   64    HZ   PHE   7           HZ       PHE   7   8.468   0.530   7.403
   65    H    LYS   8           H        LYS   8   8.035  -3.523   0.390
   66    HA   LYS   8           HA       LYS   8   6.486  -1.264  -0.164
   67   1HB   LYS   8          2HB       LYS   8   6.540  -2.083  -2.552
   68   2HB   LYS   8          1HB       LYS   8   8.082  -1.815  -1.753
   69   1HG   LYS   8          2HG       LYS   8   7.572  -3.946  -3.259
   70   2HG   LYS   8          1HG       LYS   8   8.704  -3.941  -1.921
   71   1HD   LYS   8          2HD       LYS   8   7.522  -5.860  -1.505
   72   2HD   LYS   8          1HD       LYS   8   6.635  -4.690  -0.525
   73   1HE   LYS   8          2HE       LYS   8   5.710  -6.302  -2.710
   74   2HE   LYS   8          1HE       LYS   8   4.800  -5.293  -1.588
   75   1HZ   LYS   8          1HZ       LYS   8   6.138  -4.321  -4.053
   76   2HZ   LYS   8          2HZ       LYS   8   5.197  -3.394  -2.997
   77   3HZ   LYS   8          3HZ       LYS   8   4.481  -4.630  -3.903
   78    H    ARG   9           H        ARG   9   5.525  -4.254   0.824
   79    HA   ARG   9           HA       ARG   9   2.840  -3.954  -0.332
   80   1HB   ARG   9          2HB       ARG   9   3.227  -6.139  -0.843
   81   2HB   ARG   9          1HB       ARG   9   4.512  -6.288   0.343
   82   1HG   ARG   9          2HG       ARG   9   2.282  -6.137   1.923
   83   2HG   ARG   9          1HG       ARG   9   1.698  -7.030   0.517
   84   1HD   ARG   9          2HD       ARG   9   4.319  -7.819   1.664
   85   2HD   ARG   9          1HD       ARG   9   2.870  -8.227   2.582
   86    HE   ARG   9           HE       ARG   9   2.774  -8.970  -0.204
   87   1HH1  ARG   9          1HH1      ARG   9   3.649  -9.947   3.024
   88   2HH1  ARG   9          2HH1      ARG   9   3.563 -11.641   2.673
   89   1HH2  ARG   9          1HH2      ARG   9   2.656 -11.197  -0.674
   90   2HH2  ARG   9          2HH2      ARG   9   2.999 -12.352   0.570
   91    H    ASN  10           H        ASN  10   4.804  -3.800   2.414
   92    HA   ASN  10           HA       ASN  10   2.563  -3.802   4.295
   93   1HB   ASN  10          2HB       ASN  10   4.395  -5.228   4.929
   94   2HB   ASN  10          1HB       ASN  10   5.555  -3.924   4.677
   95   1HD2  ASN  10          1HD2      ASN  10   6.317  -4.132   6.788
   96   2HD2  ASN  10          2HD2      ASN  10   5.416  -3.561   8.147
   97    H    ARG  11           H        ARG  11   5.506  -2.079   4.962
   98    HA   ARG  11           HA       ARG  11   5.908   0.072   5.552
   99   1HB   ARG  11          2HB       ARG  11   5.887   0.467   3.197
  100   2HB   ARG  11          1HB       ARG  11   4.135   0.503   3.167
  101   1HG   ARG  11          2HG       ARG  11   5.272   2.732   2.983
  102   2HG   ARG  11          1HG       ARG  11   4.058   2.601   4.255
  103   1HD   ARG  11          2HD       ARG  11   5.872   3.727   5.241
  104   2HD   ARG  11          1HD       ARG  11   5.980   2.071   5.830
  105    HE   ARG  11           HE       ARG  11   7.673   1.814   3.929
  106   1HH1  ARG  11          1HH1      ARG  11   7.154   4.764   5.712
  107   2HH1  ARG  11          2HH1      ARG  11   8.777   5.330   5.498
  108   1HH2  ARG  11          1HH2      ARG  11   9.812   2.552   3.646
  109   2HH2  ARG  11          2HH2      ARG  11  10.286   4.073   4.323
  110   1H    LYS  12          1HT       LYS  12  15.429   4.657  -2.093
  111   2H    LYS  12          2HT       LYS  12  16.683   3.551  -1.846
  112   3H    LYS  12          3HT       LYS  12  16.640   4.990  -0.960
  113    HA   LYS  12           HA       LYS  12  14.841   2.668  -0.748
  114   1HB   LYS  12          2HB       LYS  12  16.983   2.583   0.456
  115   2HB   LYS  12          1HB       LYS  12  16.572   4.085   1.273
  116   1HG   LYS  12          2HG       LYS  12  14.388   2.493   1.788
  117   2HG   LYS  12          1HG       LYS  12  15.744   1.358   1.853
  118   1HD   LYS  12          2HD       LYS  12  16.834   3.298   3.259
  119   2HD   LYS  12          1HD       LYS  12  15.149   3.716   3.565
  120   1HE   LYS  12          2HE       LYS  12  15.009   1.105   4.057
  121   2HE   LYS  12          1HE       LYS  12  16.716   1.346   4.427
  122   1HZ   LYS  12          1HZ       LYS  12  15.806   1.795   6.444
  123   2HZ   LYS  12          2HZ       LYS  12  14.350   2.373   5.807
  124   3HZ   LYS  12          3HZ       LYS  12  15.729   3.353   5.787
  125    H    LEU  13           H        LEU  13  14.808   6.002  -0.830
  126    HA   LEU  13           HA       LEU  13  12.650   6.189   1.112
  127   1HB   LEU  13          2HB       LEU  13  13.837   8.399  -0.559
  128   2HB   LEU  13          1HB       LEU  13  12.825   8.571   0.863
  129    HG   LEU  13           HG       LEU  13  14.842   8.963   1.843
  130   1HD1  LEU  13          1HD1      LEU  13  14.736   5.937   1.797
  131   2HD1  LEU  13          2HD1      LEU  13  14.067   7.026   3.020
  132   3HD1  LEU  13          3HD1      LEU  13  15.813   6.887   2.831
  133   1HD2  LEU  13          1HD2      LEU  13  16.962   7.795   1.060
  134   2HD2  LEU  13          2HD2      LEU  13  16.236   8.961  -0.045
  135   3HD2  LEU  13          3HD2      LEU  13  16.011   7.233  -0.315
  136    H    LEU  14           H        LEU  14  12.652   4.839  -1.572
  137    HA   LEU  14           HA       LEU  14  10.644   6.273  -3.084
  138   1HB   LEU  14          2HB       LEU  14  10.692   4.247  -4.529
  139   2HB   LEU  14          1HB       LEU  14  12.260   5.005  -4.338
  140    HG   LEU  14           HG       LEU  14  11.936   2.959  -2.329
  141   1HD1  LEU  14          1HD1      LEU  14  12.134   1.196  -4.371
  142   2HD1  LEU  14          2HD1      LEU  14  10.942   2.321  -5.022
  143   3HD1  LEU  14          3HD1      LEU  14  10.648   1.521  -3.478
  144   1HD2  LEU  14          1HD2      LEU  14  13.906   2.063  -3.858
  145   2HD2  LEU  14          2HD2      LEU  14  14.113   3.454  -2.793
  146   3HD2  LEU  14          3HD2      LEU  14  13.813   3.698  -4.513
  147    H    ILE  15           H        ILE  15  10.933   3.838  -0.695
  148    HA   ILE  15           HA       ILE  15   8.351   2.673  -0.983
  149    HB   ILE  15           HB       ILE  15  10.504   2.555   1.120
  150   1HG1  ILE  15          2HG1      ILE  15  10.832   1.318  -0.957
  151   2HG1  ILE  15          1HG1      ILE  15  10.603   0.211   0.395
  152   1HG2  ILE  15          1HG2      ILE  15   8.303   0.635   1.406
  153   2HG2  ILE  15          2HG2      ILE  15   7.894   2.292   1.854
  154   3HG2  ILE  15          3HG2      ILE  15   9.243   1.475   2.641
  155   1HD1  ILE  15          1HD1      ILE  15   8.575  -0.505  -0.357
  156   2HD1  ILE  15          2HD1      ILE  15   9.379  -0.161  -1.889
  157   3HD1  ILE  15          3HD1      ILE  15   8.234   0.997  -1.213
  158    H    THR  16           H        THR  16   9.310   5.670   0.039
  159    HA   THR  16           HA       THR  16   7.488   6.034   2.224
  160    HB   THR  16           HB       THR  16   8.652   8.260   0.571
  161    HG1  THR  16           1HG      THR  16   9.971   6.787   2.603
  162   1HG2  THR  16          1HG2      THR  16   8.506   9.575   2.446
  163   2HG2  THR  16          2HG2      THR  16   8.483   8.195   3.544
  164   3HG2  THR  16          3HG2      THR  16   7.054   8.585   2.586
  165    H    ILE  17           H        ILE  17   7.423   6.631  -1.258
  166    HA   ILE  17           HA       ILE  17   4.593   7.394  -0.973
  167    HB   ILE  17           HB       ILE  17   6.564   8.998  -1.989
  168   1HG1  ILE  17          2HG1      ILE  17   4.357   9.705  -1.211
  169   2HG1  ILE  17          1HG1      ILE  17   4.727  10.419  -2.777
  170   1HG2  ILE  17          1HG2      ILE  17   5.332   7.491  -4.255
  171   2HG2  ILE  17          2HG2      ILE  17   7.009   7.980  -4.009
  172   3HG2  ILE  17          3HG2      ILE  17   5.798   9.181  -4.457
  173   1HD1  ILE  17          1HD1      ILE  17   3.285   7.894  -2.965
  174   2HD1  ILE  17          2HD1      ILE  17   2.977   9.444  -3.748
  175   3HD1  ILE  17          3HD1      ILE  17   2.403   9.157  -2.105
  176    H    HIS  18           H        HIS  18   6.940   5.692  -3.014
  177    HA   HIS  18           HA       HIS  18   5.059   4.759  -4.904
  178   1HB   HIS  18          2HB       HIS  18   7.004   4.355  -5.910
  179   2HB   HIS  18          1HB       HIS  18   7.886   4.466  -4.397
  180    HD1  HIS  18           1HD      HIS  18   8.180   2.167  -3.070
  181    HD2  HIS  18           2HD      HIS  18   6.737   1.849  -6.954
  182    HE1  HIS  18           1HE      HIS  18   8.528  -0.235  -3.722
  183    HE2  HIS  18           2HE      HIS  18   7.569  -0.423  -6.043
  184    H    ASP  19           H        ASP  19   5.586   3.882  -1.695
  185    HA   ASP  19           HA       ASP  19   4.750   1.135  -1.934
  186   1HB   ASP  19          2HB       ASP  19   6.206   2.304  -0.077
  187   2HB   ASP  19          1HB       ASP  19   4.637   2.638   0.648
  188    H    ARG  20           H        ARG  20   3.260   4.222  -1.560
  189    HA   ARG  20           HA       ARG  20   0.800   3.353  -0.440
  190   1HB   ARG  20          2HB       ARG  20   1.940   5.824  -1.433
  191   2HB   ARG  20          1HB       ARG  20   0.247   5.663  -1.879
  192   1HG   ARG  20          2HG       ARG  20  -0.010   6.669   0.134
  193   2HG   ARG  20          1HG       ARG  20   0.034   4.992   0.679
  194   1HD   ARG  20          2HD       ARG  20   2.706   5.798   0.544
  195   2HD   ARG  20          1HD       ARG  20   1.845   7.162   1.257
  196    HE   ARG  20           HE       ARG  20   1.705   4.421   2.338
  197   1HH1  ARG  20          1HH1      ARG  20   1.937   7.874   2.755
  198   2HH1  ARG  20          2HH1      ARG  20   1.942   7.793   4.485
  199   1HH2  ARG  20          1HH2      ARG  20   1.710   4.308   4.614
  200   2HH2  ARG  20          2HH2      ARG  20   1.813   5.768   5.542
  201    H    LYS  21           H        LYS  21   2.179   2.816  -3.403
  202    HA   LYS  21           HA       LYS  21  -0.436   2.410  -4.696
  203   1HB   LYS  21          2HB       LYS  21   1.684   2.338  -6.602
  204   2HB   LYS  21          1HB       LYS  21   0.335   3.464  -6.504
  205   1HG   LYS  21          2HG       LYS  21   1.562   5.054  -5.423
  206   2HG   LYS  21          1HG       LYS  21   2.680   3.880  -4.723
  207   1HD   LYS  21          2HD       LYS  21   4.011   4.845  -6.337
  208   2HD   LYS  21          1HD       LYS  21   3.346   3.472  -7.220
  209   1HE   LYS  21          2HE       LYS  21   3.132   5.301  -8.678
  210   2HE   LYS  21          1HE       LYS  21   1.521   5.053  -8.006
  211   1HZ   LYS  21          1HZ       LYS  21   1.622   7.228  -7.567
  212   2HZ   LYS  21          2HZ       LYS  21   3.305   7.300  -7.726
  213   3HZ   LYS  21          3HZ       LYS  21   2.616   6.796  -6.266
  214    H    GLU  22           H        GLU  22   2.656   1.088  -3.866
  215    HA   GLU  22           HA       GLU  22   2.598  -1.247  -5.420
  216   1HB   GLU  22          2HB       GLU  22   4.111  -0.208  -3.108
  217   2HB   GLU  22          1HB       GLU  22   4.084  -1.954  -3.275
  218   1HG   GLU  22          2HG       GLU  22   4.741  -0.275  -5.640
  219   2HG   GLU  22          1HG       GLU  22   5.957  -0.518  -4.378
  220    H    PHE  23           H        PHE  23   0.466  -0.334  -3.110
  221    HA   PHE  23           HA       PHE  23  -0.082  -3.105  -2.281
  222   1HB   PHE  23          2HB       PHE  23   0.481  -1.699  -0.370
  223   2HB   PHE  23          1HB       PHE  23  -0.734  -0.520  -0.851
  224    HD1  PHE  23           1HD      PHE  23  -2.911  -0.681  -0.058
  225    HD2  PHE  23           2HD      PHE  23  -0.330  -4.052   0.226
  226    HE1  PHE  23           1HE      PHE  23  -4.593  -1.848   1.306
  227    HE2  PHE  23           2HE      PHE  23  -2.008  -5.226   1.589
  228    HZ   PHE  23           HZ       PHE  23  -4.142  -4.125   2.131
  229    H    ALA  24           H        ALA  24  -1.558  -0.023  -3.208
  230    HA   ALA  24           HA       ALA  24  -4.150  -1.266  -3.546
  231   1HB   ALA  24          1HB       ALA  24  -4.464   0.879  -2.815
  232   2HB   ALA  24          2HB       ALA  24  -4.599   1.124  -4.557
  233   3HB   ALA  24          3HB       ALA  24  -3.093   1.511  -3.727
  234    H    LYS  25           H        LYS  25  -2.438  -2.609  -5.063
  235    HA   LYS  25           HA       LYS  25  -2.268  -1.685  -7.765
  236   1HB   LYS  25          2HB       LYS  25  -1.765  -4.177  -8.143
  237   2HB   LYS  25          1HB       LYS  25  -0.661  -3.304  -7.087
  238   1HG   LYS  25          2HG       LYS  25  -2.426  -4.193  -5.253
  239   2HG   LYS  25          1HG       LYS  25  -2.564  -5.473  -6.465
  240   1HD   LYS  25          2HD       LYS  25  -0.060  -4.560  -5.057
  241   2HD   LYS  25          1HD       LYS  25  -0.899  -6.101  -4.858
  242   1HE   LYS  25          2HE       LYS  25  -0.403  -5.939  -7.583
  243   2HE   LYS  25          1HE       LYS  25   1.062  -5.298  -6.839
  244   1HZ   LYS  25          1HZ       LYS  25   1.675  -7.354  -6.354
  245   2HZ   LYS  25          2HZ       LYS  25   0.276  -7.968  -7.080
  246   3HZ   LYS  25          3HZ       LYS  25   0.276  -7.590  -5.431
  247    H    PHE  26           H        PHE  26  -4.061  -4.180  -6.114
  248    HA   PHE  26           HA       PHE  26  -6.314  -3.931  -7.974
  249   1HB   PHE  26          2HB       PHE  26  -5.909  -6.091  -8.447
  250   2HB   PHE  26          1HB       PHE  26  -4.660  -6.161  -7.223
  251    HD1  PHE  26           1HD      PHE  26  -5.046  -7.103  -5.089
  252    HD2  PHE  26           2HD      PHE  26  -8.217  -6.771  -7.906
  253    HE1  PHE  26           1HE      PHE  26  -6.398  -8.637  -3.732
  254    HE2  PHE  26           2HE      PHE  26  -9.585  -8.305  -6.552
  255    HZ   PHE  26           HZ       PHE  26  -8.677  -9.241  -4.460
  256    H    GLU  27           H        GLU  27  -5.049  -3.672  -4.914
  257    HA   GLU  27           HA       GLU  27  -7.154  -4.350  -3.204
  258   1HB   GLU  27          2HB       GLU  27  -4.700  -2.670  -3.077
  259   2HB   GLU  27          1HB       GLU  27  -5.894  -2.442  -1.821
  260   1HG   GLU  27          2HG       GLU  27  -4.218  -4.825  -2.431
  261   2HG   GLU  27          1HG       GLU  27  -4.478  -3.994  -0.893
  262    H    GLU  28           H        GLU  28  -6.512  -1.539  -5.168
  263    HA   GLU  28           HA       GLU  28  -8.440   0.158  -3.893
  264   1HB   GLU  28          2HB       GLU  28  -7.979   1.729  -5.635
  265   2HB   GLU  28          1HB       GLU  28  -6.450   0.984  -5.189
  266   1HG   GLU  28          2HG       GLU  28  -6.896  -0.614  -7.150
  267   2HG   GLU  28          1HG       GLU  28  -8.088   0.581  -7.659
  268    H    GLU  29           H        GLU  29  -8.748  -2.538  -5.732
  269    HA   GLU  29           HA       GLU  29 -11.362  -1.694  -6.800
  270   1HB   GLU  29          2HB       GLU  29  -9.692  -3.949  -7.908
  271   2HB   GLU  29          1HB       GLU  29 -11.098  -3.184  -8.638
  272   1HG   GLU  29          2HG       GLU  29  -8.560  -1.680  -8.115
  273   2HG   GLU  29          1HG       GLU  29  -8.817  -2.609  -9.592
  274    H    ARG  30           H        ARG  30  -9.723  -3.631  -4.616
  275    HA   ARG  30           HA       ARG  30 -11.852  -5.643  -4.489
  276   1HB   ARG  30          2HB       ARG  30  -9.829  -6.770  -4.500
  277   2HB   ARG  30          1HB       ARG  30  -9.015  -5.536  -3.549
  278   1HG   ARG  30          2HG       ARG  30  -9.187  -7.295  -2.065
  279   2HG   ARG  30          1HG       ARG  30 -10.588  -6.304  -1.652
  280   1HD   ARG  30          2HD       ARG  30 -11.653  -7.896  -3.553
  281   2HD   ARG  30          1HD       ARG  30 -10.454  -8.987  -2.856
  282    HE   ARG  30           HE       ARG  30 -12.788  -7.859  -1.510
  283   1HH1  ARG  30          1HH1      ARG  30  -9.920  -9.833  -1.369
  284   2HH1  ARG  30          2HH1      ARG  30 -10.375 -10.616   0.107
  285   1HH2  ARG  30          1HH2      ARG  30 -13.392  -8.876   0.433
  286   2HH2  ARG  30          2HH2      ARG  30 -12.355 -10.075   1.132
  287    H    ALA  31           H        ALA  31 -10.558  -2.911  -2.826
  288    HA   ALA  31           HA       ALA  31 -12.317  -3.446  -0.533
  289   1HB   ALA  31          1HB       ALA  31 -10.345  -1.291  -0.249
  290   2HB   ALA  31          2HB       ALA  31  -9.653  -2.900  -0.457
  291   3HB   ALA  31          3HB       ALA  31 -10.779  -2.589   0.864
  292    H    ARG  32           H        ARG  32 -12.367  -1.924  -3.342
  293    HA   ARG  32           HA       ARG  32 -13.608   0.553  -2.375
  294   1HB   ARG  32          2HB       ARG  32 -11.913   0.038  -4.514
  295   2HB   ARG  32          1HB       ARG  32 -13.497   0.180  -5.263
  296   1HG   ARG  32          2HG       ARG  32 -12.255   2.307  -5.193
  297   2HG   ARG  32          1HG       ARG  32 -13.799   2.377  -4.343
  298   1HD   ARG  32          2HD       ARG  32 -12.235   1.673  -2.299
  299   2HD   ARG  32          1HD       ARG  32 -11.032   2.508  -3.284
  300    HE   ARG  32           HE       ARG  32 -13.381   3.691  -2.015
  301   1HH1  ARG  32          1HH1      ARG  32 -10.563   4.074  -4.028
  302   2HH1  ARG  32          2HH1      ARG  32 -10.561   5.802  -3.918
  303   1HH2  ARG  32          1HH2      ARG  32 -13.390   5.961  -1.868
  304   2HH2  ARG  32          2HH2      ARG  32 -12.168   6.876  -2.688
  305    H    ALA  33           H        ALA  33 -14.237  -1.961  -4.808
  306    HA   ALA  33           HA       ALA  33 -16.865  -1.350  -5.331
  307   1HB   ALA  33          1HB       ALA  33 -15.088  -3.498  -5.878
  308   2HB   ALA  33          2HB       ALA  33 -16.558  -3.032  -6.738
  309   3HB   ALA  33          3HB       ALA  33 -16.646  -4.172  -5.394
  310    H    LYS  34           H        LYS  34 -15.602  -2.597  -2.385
  311    HA   LYS  34           HA       LYS  34 -17.913  -4.008  -1.540
  312   1HB   LYS  34          2HB       LYS  34 -16.700  -2.912   0.767
  313   2HB   LYS  34          1HB       LYS  34 -16.607  -4.559   0.176
  314   1HG   LYS  34          2HG       LYS  34 -14.538  -4.239  -0.785
  315   2HG   LYS  34          1HG       LYS  34 -14.737  -2.489  -0.919
  316   1HD   LYS  34          2HD       LYS  34 -13.169  -2.924   0.839
  317   2HD   LYS  34          1HD       LYS  34 -14.670  -2.363   1.574
  318   1HE   LYS  34          2HE       LYS  34 -15.088  -5.036   1.552
  319   2HE   LYS  34          1HE       LYS  34 -13.336  -4.984   1.743
  320   1HZ   LYS  34          1HZ       LYS  34 -14.229  -3.117   3.503
  321   2HZ   LYS  34          2HZ       LYS  34 -13.767  -4.696   3.895
  322   3HZ   LYS  34          3HZ       LYS  34 -15.398  -4.335   3.627
  323    H    TRP  35           H        TRP  35 -16.780  -0.710  -0.957
  324    HA   TRP  35           HA       TRP  35 -19.424   0.000   0.085
  325   1HB   TRP  35          2HB       TRP  35 -18.265   2.130   0.759
  326   2HB   TRP  35          1HB       TRP  35 -17.647   0.683   1.546
  327    HD1  TRP  35           HD       TRP  35 -16.742   2.161  -1.909
  328    HE1  TRP  35           1HE      TRP  35 -14.236   2.555  -1.960
  329    HE3  TRP  35           3HE      TRP  35 -15.588   0.765   2.871
  330    HZ2  TRP  35           2HZ      TRP  35 -12.009   2.316  -0.233
  331    HZ3  TRP  35           3HZ      TRP  35 -13.235   0.872   3.587
  332    HH2  TRP  35           HH       TRP  35 -11.485   1.628   2.065
  333    H    ASP  36           H        ASP  36 -17.830  -0.095  -2.758
  334    HA   ASP  36           HA       ASP  36 -19.138   2.319  -3.816
  335   1HB   ASP  36          2HB       ASP  36 -16.472   1.298  -4.101
  336   2HB   ASP  36          1HB       ASP  36 -17.260   1.287  -5.683
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1  15.005  -5.451  -1.873
    2   2H    MET   1          2HT       MET   1  16.175  -5.664  -3.076
    3   3H    MET   1          3HT       MET   1  14.923  -4.551  -3.305
    4    HA   MET   1           HA       MET   1  17.275  -3.753  -2.585
    5   1HB   MET   1          2HB       MET   1  14.697  -2.764  -1.366
    6   2HB   MET   1          1HB       MET   1  16.184  -1.834  -1.483
    7   1HG   MET   1          2HG       MET   1  14.593  -2.884  -3.813
    8   2HG   MET   1          1HG       MET   1  14.567  -1.227  -3.213
    9   1HE   MET   1          1HE       MET   1  17.042  -0.627  -2.311
   10   2HE   MET   1          2HE       MET   1  17.575   0.340  -3.687
   11   3HE   MET   1          3HE       MET   1  18.525  -1.052  -3.165
   12    H    TRP   2           H        TRP   2  15.371  -3.205   0.217
   13    HA   TRP   2           HA       TRP   2  17.294  -4.701   1.861
   14   1HB   TRP   2          2HB       TRP   2  16.004  -2.530   3.226
   15   2HB   TRP   2          1HB       TRP   2  17.722  -2.778   2.946
   16    HD1  TRP   2           HD       TRP   2  18.838  -1.302   1.096
   17    HE1  TRP   2           1HE      TRP   2  17.993   0.614  -0.400
   18    HE3  TRP   2           3HE      TRP   2  13.797  -1.751   1.911
   19    HZ2  TRP   2           2HZ      TRP   2  15.512   1.764  -1.092
   20    HZ3  TRP   2           3HZ      TRP   2  12.292  -0.168   0.782
   21    HH2  TRP   2           HH       TRP   2  13.149   1.538  -0.689
   22    H    LYS   3           H        LYS   3  14.464  -2.949   2.947
   23    HA   LYS   3           HA       LYS   3  13.330  -5.396   4.069
   24   1HB   LYS   3          2HB       LYS   3  11.938  -3.965   5.391
   25   2HB   LYS   3          1HB       LYS   3  13.564  -3.300   5.471
   26   1HG   LYS   3          2HG       LYS   3  11.801  -2.226   3.358
   27   2HG   LYS   3          1HG       LYS   3  11.359  -1.839   5.020
   28   1HD   LYS   3          2HD       LYS   3  13.518  -0.847   5.416
   29   2HD   LYS   3          1HD       LYS   3  14.086  -1.371   3.834
   30   1HE   LYS   3          2HE       LYS   3  13.513   0.992   3.816
   31   2HE   LYS   3          1HE       LYS   3  12.466   0.063   2.733
   32   1HZ   LYS   3          1HZ       LYS   3  10.718   0.826   3.838
   33   2HZ   LYS   3          2HZ       LYS   3  11.725   1.749   4.836
   34   3HZ   LYS   3          3HZ       LYS   3  11.294   0.178   5.290
   35    H    VAL   4           H        VAL   4  13.004  -3.094   1.637
   36    HA   VAL   4           HA       VAL   4  10.487  -2.878   0.887
   37    HB   VAL   4           HB       VAL   4  12.711  -2.165  -0.287
   38   1HG1  VAL   4          1HG1      VAL   4  11.980  -4.735  -1.671
   39   2HG1  VAL   4          2HG1      VAL   4  13.558  -4.205  -1.086
   40   3HG1  VAL   4          3HG1      VAL   4  12.847  -3.448  -2.512
   41   1HG2  VAL   4          1HG2      VAL   4  10.187  -1.682  -0.796
   42   2HG2  VAL   4          2HG2      VAL   4  10.508  -2.688  -2.210
   43   3HG2  VAL   4          3HG2      VAL   4  11.450  -1.223  -1.936
   44    H    GLY   5           H        GLY   5  12.502  -5.722   0.190
   45   1HA   GLY   5          2HA       GLY   5  11.039  -7.134  -1.526
   46   2HA   GLY   5          1HA       GLY   5  11.804  -7.918  -0.151
   47    H    PHE   6           H        PHE   6  10.262  -6.982   1.918
   48    HA   PHE   6           HA       PHE   6   7.597  -7.907   1.152
   49   1HB   PHE   6          2HB       PHE   6   7.361  -9.151   3.156
   50   2HB   PHE   6          1HB       PHE   6   8.953  -9.559   2.529
   51    HD1  PHE   6           1HD      PHE   6  10.684  -7.463   3.423
   52    HD2  PHE   6           2HD      PHE   6   7.382  -9.241   5.434
   53    HE1  PHE   6           1HE      PHE   6  11.680  -6.855   5.588
   54    HE2  PHE   6           2HE      PHE   6   8.371  -8.633   7.602
   55    HZ   PHE   6           HZ       PHE   6  10.521  -7.438   7.682
   56    H    PHE   7           H        PHE   7   9.091  -5.231   1.747
   57    HA   PHE   7           HA       PHE   7   7.279  -4.192   3.784
   58   1HB   PHE   7          2HB       PHE   7   9.889  -3.744   3.501
   59   2HB   PHE   7          1HB       PHE   7   9.282  -2.448   2.479
   60    HD1  PHE   7           1HD      PHE   7   9.563  -0.486   3.619
   61    HD2  PHE   7           2HD      PHE   7   7.939  -3.842   5.663
   62    HE1  PHE   7           1HE      PHE   7   9.142   0.926   5.584
   63    HE2  PHE   7           2HE      PHE   7   7.505  -2.439   7.635
   64    HZ   PHE   7           HZ       PHE   7   8.110  -0.050   7.599
   65    H    LYS   8           H        LYS   8   8.225  -3.568   0.444
   66    HA   LYS   8           HA       LYS   8   6.562  -1.373   0.062
   67   1HB   LYS   8          2HB       LYS   8   6.774  -1.900  -2.377
   68   2HB   LYS   8          1HB       LYS   8   8.276  -1.738  -1.476
   69   1HG   LYS   8          2HG       LYS   8   7.708  -3.728  -3.243
   70   2HG   LYS   8          1HG       LYS   8   8.940  -3.778  -1.998
   71   1HD   LYS   8          2HD       LYS   8   7.958  -5.701  -1.432
   72   2HD   LYS   8          1HD       LYS   8   6.811  -4.650  -0.596
   73   1HE   LYS   8          2HE       LYS   8   6.431  -6.362  -2.915
   74   2HE   LYS   8          1HE       LYS   8   5.258  -5.688  -1.789
   75   1HZ   LYS   8          1HZ       LYS   8   5.566  -3.534  -3.042
   76   2HZ   LYS   8          2HZ       LYS   8   4.743  -4.763  -3.861
   77   3HZ   LYS   8          3HZ       LYS   8   6.361  -4.439  -4.231
   78    H    ARG   9           H        ARG   9   5.669  -4.464   0.750
   79    HA   ARG   9           HA       ARG   9   3.030  -4.119  -0.492
   80   1HB   ARG   9          2HB       ARG   9   3.445  -6.211  -1.258
   81   2HB   ARG   9          1HB       ARG   9   4.759  -6.462  -0.121
   82   1HG   ARG   9          2HG       ARG   9   2.215  -6.498   1.230
   83   2HG   ARG   9          1HG       ARG   9   2.250  -7.663  -0.095
   84   1HD   ARG   9          2HD       ARG   9   4.519  -8.380   0.854
   85   2HD   ARG   9          1HD       ARG   9   4.054  -7.480   2.297
   86    HE   ARG   9           HE       ARG   9   1.979  -9.241   1.598
   87   1HH1  ARG   9          1HH1      ARG   9   5.224  -9.280   2.867
   88   2HH1  ARG   9          2HH1      ARG   9   4.998 -10.754   3.749
   89   1HH2  ARG   9          1HH2      ARG   9   1.672 -11.177   2.758
   90   2HH2  ARG   9          2HH2      ARG   9   2.980 -11.832   3.687
   91    H    ASN  10           H        ASN  10   4.905  -4.426   2.341
   92    HA   ASN  10           HA       ASN  10   2.689  -4.868   4.149
   93   1HB   ASN  10          2HB       ASN  10   4.776  -5.927   4.696
   94   2HB   ASN  10          1HB       ASN  10   5.641  -4.392   4.568
   95   1HD2  ASN  10          1HD2      ASN  10   6.279  -3.818   6.518
   96   2HD2  ASN  10          2HD2      ASN  10   5.330  -3.864   7.958
   97    H    ARG  11           H        ARG  11   5.304  -2.503   4.405
   98    HA   ARG  11           HA       ARG  11   5.351  -0.311   4.969
   99   1HB   ARG  11          2HB       ARG  11   4.042  -0.107   2.858
  100   2HB   ARG  11          1HB       ARG  11   2.575  -0.191   3.817
  101   1HG   ARG  11          2HG       ARG  11   2.702   2.041   3.787
  102   2HG   ARG  11          1HG       ARG  11   3.882   1.811   5.079
  103   1HD   ARG  11          2HD       ARG  11   4.705   1.811   2.196
  104   2HD   ARG  11          1HD       ARG  11   4.511   3.319   3.089
  105    HE   ARG  11           HE       ARG  11   6.569   1.290   3.500
  106   1HH1  ARG  11          1HH1      ARG  11   5.063   4.253   4.562
  107   2HH1  ARG  11          2HH1      ARG  11   6.428   4.757   5.502
  108   1HH2  ARG  11          1HH2      ARG  11   8.367   1.955   4.724
  109   2HH2  ARG  11          2HH2      ARG  11   8.305   3.451   5.595
  110   1H    LYS  12          1HT       LYS  12  15.707   4.467  -1.453
  111   2H    LYS  12          2HT       LYS  12  16.972   4.400  -0.330
  112   3H    LYS  12          3HT       LYS  12  15.905   5.712  -0.324
  113    HA   LYS  12           HA       LYS  12  14.800   3.042   0.013
  114   1HB   LYS  12          2HB       LYS  12  16.774   3.105   1.490
  115   2HB   LYS  12          1HB       LYS  12  16.131   4.557   2.252
  116   1HG   LYS  12          2HG       LYS  12  14.031   2.768   2.392
  117   2HG   LYS  12          1HG       LYS  12  15.461   1.773   2.703
  118   1HD   LYS  12          2HD       LYS  12  15.771   2.682   4.711
  119   2HD   LYS  12          1HD       LYS  12  15.532   4.320   4.107
  120   1HE   LYS  12          2HE       LYS  12  13.094   2.696   4.230
  121   2HE   LYS  12          1HE       LYS  12  13.841   3.003   5.797
  122   1HZ   LYS  12          1HZ       LYS  12  12.225   4.707   5.216
  123   2HZ   LYS  12          2HZ       LYS  12  13.093   5.083   3.814
  124   3HZ   LYS  12          3HZ       LYS  12  13.780   5.366   5.334
  125    H    LEU  13           H        LEU  13  14.486   6.342  -0.165
  126    HA   LEU  13           HA       LEU  13  12.150   6.338   1.566
  127   1HB   LEU  13          2HB       LEU  13  13.335   8.637   0.009
  128   2HB   LEU  13          1HB       LEU  13  12.104   8.742   1.257
  129    HG   LEU  13           HG       LEU  13  13.907   9.307   2.527
  130   1HD1  LEU  13          1HD1      LEU  13  14.091   6.279   2.532
  131   2HD1  LEU  13          2HD1      LEU  13  13.100   7.299   3.587
  132   3HD1  LEU  13          3HD1      LEU  13  14.858   7.349   3.719
  133   1HD2  LEU  13          1HD2      LEU  13  15.333   8.577   0.284
  134   2HD2  LEU  13          2HD2      LEU  13  15.984   7.528   1.545
  135   3HD2  LEU  13          3HD2      LEU  13  15.998   9.279   1.759
  136    H    LEU  14           H        LEU  14  12.584   5.050  -1.164
  137    HA   LEU  14           HA       LEU  14  10.584   6.256  -2.846
  138   1HB   LEU  14          2HB       LEU  14  10.854   4.118  -4.157
  139   2HB   LEU  14          1HB       LEU  14  12.313   5.076  -3.978
  140    HG   LEU  14           HG       LEU  14  12.154   3.151  -1.836
  141   1HD1  LEU  14          1HD1      LEU  14  11.552   1.248  -2.801
  142   2HD1  LEU  14          2HD1      LEU  14  12.613   1.541  -4.179
  143   3HD1  LEU  14          3HD1      LEU  14  10.974   2.191  -4.174
  144   1HD2  LEU  14          1HD2      LEU  14  14.045   3.522  -4.159
  145   2HD2  LEU  14          2HD2      LEU  14  14.341   2.493  -2.757
  146   3HD2  LEU  14          3HD2      LEU  14  14.196   4.240  -2.555
  147    H    ILE  15           H        ILE  15  10.681   4.361  -0.127
  148    HA   ILE  15           HA       ILE  15   8.227   2.891  -0.594
  149    HB   ILE  15           HB       ILE  15   9.948   3.061   1.891
  150   1HG1  ILE  15          2HG1      ILE  15  11.203   2.215  -0.029
  151   2HG1  ILE  15          1HG1      ILE  15  10.907   0.937   1.146
  152   1HG2  ILE  15          1HG2      ILE  15   8.279   0.688   1.294
  153   2HG2  ILE  15          2HG2      ILE  15   7.430   2.144   1.822
  154   3HG2  ILE  15          3HG2      ILE  15   8.678   1.431   2.845
  155   1HD1  ILE  15          1HD1      ILE  15   9.358  -0.125  -0.210
  156   2HD1  ILE  15          2HD1      ILE  15  10.599   0.420  -1.344
  157   3HD1  ILE  15          3HD1      ILE  15   9.088   1.317  -1.192
  158    H    THR  16           H        THR  16   8.116   5.755  -0.667
  159    HA   THR  16           HA       THR  16   6.372   6.279   1.648
  160    HB   THR  16           HB       THR  16   7.964   8.315   0.075
  161    HG1  THR  16           1HG      THR  16   8.426   7.536   2.745
  162   1HG2  THR  16          1HG2      THR  16   7.335   9.364   2.552
  163   2HG2  THR  16          2HG2      THR  16   5.844   8.588   2.015
  164   3HG2  THR  16          3HG2      THR  16   6.618   9.807   1.003
  165    H    ILE  17           H        ILE  17   6.916   6.775  -1.802
  166    HA   ILE  17           HA       ILE  17   4.057   7.418  -2.084
  167    HB   ILE  17           HB       ILE  17   6.091   9.060  -2.825
  168   1HG1  ILE  17          2HG1      ILE  17   3.688   9.603  -2.667
  169   2HG1  ILE  17          1HG1      ILE  17   4.427  10.282  -4.113
  170   1HG2  ILE  17          1HG2      ILE  17   5.472   7.317  -5.185
  171   2HG2  ILE  17          2HG2      ILE  17   7.042   7.820  -4.556
  172   3HG2  ILE  17          3HG2      ILE  17   6.009   8.986  -5.382
  173   1HD1  ILE  17          1HD1      ILE  17   3.064   7.643  -4.290
  174   2HD1  ILE  17          2HD1      ILE  17   3.271   8.892  -5.517
  175   3HD1  ILE  17          3HD1      ILE  17   2.097   9.116  -4.220
  176    H    HIS  18           H        HIS  18   6.790   5.612  -3.382
  177    HA   HIS  18           HA       HIS  18   5.338   4.414  -5.523
  178   1HB   HIS  18          2HB       HIS  18   7.450   3.957  -6.108
  179   2HB   HIS  18          1HB       HIS  18   8.034   4.363  -4.501
  180    HD1  HIS  18           1HD      HIS  18   7.879   2.277  -2.727
  181    HD2  HIS  18           2HD      HIS  18   7.728   1.352  -6.775
  182    HE1  HIS  18           1HE      HIS  18   8.456  -0.165  -2.880
  183    HE2  HIS  18           2HE      HIS  18   8.284  -0.721  -5.331
  184    H    ASP  19           H        ASP  19   5.578   3.863  -2.159
  185    HA   ASP  19           HA       ASP  19   4.746   1.115  -2.201
  186   1HB   ASP  19          2HB       ASP  19   5.705   2.974  -0.259
  187   2HB   ASP  19          1HB       ASP  19   4.177   2.320   0.318
  188    H    ARG  20           H        ARG  20   3.223   4.137  -2.511
  189    HA   ARG  20           HA       ARG  20   0.671   3.435  -1.447
  190   1HB   ARG  20          2HB       ARG  20   1.903   5.759  -2.514
  191   2HB   ARG  20          1HB       ARG  20   0.439   5.466  -3.441
  192   1HG   ARG  20          2HG       ARG  20  -0.385   6.774  -1.766
  193   2HG   ARG  20          1HG       ARG  20  -0.630   5.173  -1.064
  194   1HD   ARG  20          2HD       ARG  20   2.009   6.105  -0.451
  195   2HD   ARG  20          1HD       ARG  20   0.827   7.333   0.004
  196    HE   ARG  20           HE       ARG  20   1.175   4.720   1.191
  197   1HH1  ARG  20          1HH1      ARG  20  -0.922   7.473   0.787
  198   2HH1  ARG  20          2HH1      ARG  20  -1.837   7.147   2.222
  199   1HH2  ARG  20          1HH2      ARG  20  -0.027   4.283   3.077
  200   2HH2  ARG  20          2HH2      ARG  20  -1.329   5.338   3.522
  201    H    LYS  21           H        LYS  21   2.353   2.646  -4.243
  202    HA   LYS  21           HA       LYS  21  -0.109   1.895  -5.661
  203   1HB   LYS  21          2HB       LYS  21   2.220   1.579  -7.295
  204   2HB   LYS  21          1HB       LYS  21   0.835   2.636  -7.540
  205   1HG   LYS  21          2HG       LYS  21   1.881   4.448  -6.648
  206   2HG   LYS  21          1HG       LYS  21   2.920   3.479  -5.602
  207   1HD   LYS  21          2HD       LYS  21   4.516   3.972  -7.109
  208   2HD   LYS  21          1HD       LYS  21   3.766   2.686  -8.057
  209   1HE   LYS  21          2HE       LYS  21   3.129   5.628  -8.259
  210   2HE   LYS  21          1HE       LYS  21   4.121   4.708  -9.391
  211   1HZ   LYS  21          1HZ       LYS  21   1.362   5.042  -9.430
  212   2HZ   LYS  21          2HZ       LYS  21   1.640   3.417  -9.049
  213   3HZ   LYS  21          3HZ       LYS  21   2.302   4.079 -10.458
  214    H    GLU  22           H        GLU  22   2.968   0.793  -4.436
  215    HA   GLU  22           HA       GLU  22   2.917  -1.819  -5.491
  216   1HB   GLU  22          2HB       GLU  22   4.358  -0.399  -3.290
  217   2HB   GLU  22          1HB       GLU  22   4.447  -2.147  -3.370
  218   1HG   GLU  22          2HG       GLU  22   5.063  -0.502  -5.779
  219   2HG   GLU  22          1HG       GLU  22   6.267  -0.704  -4.501
  220    H    PHE  23           H        PHE  23   0.869  -0.335  -3.394
  221    HA   PHE  23           HA       PHE  23   0.165  -2.848  -2.026
  222   1HB   PHE  23          2HB       PHE  23   0.973  -1.096  -0.488
  223   2HB   PHE  23          1HB       PHE  23  -0.276  -0.010  -1.076
  224    HD1  PHE  23           1HD      PHE  23   0.263  -3.226   0.684
  225    HD2  PHE  23           2HD      PHE  23  -2.417  -0.033  -0.165
  226    HE1  PHE  23           1HE      PHE  23  -1.298  -4.089   2.381
  227    HE2  PHE  23           2HE      PHE  23  -3.982  -0.889   1.526
  228    HZ   PHE  23           HZ       PHE  23  -3.424  -2.919   2.804
  229    H    ALA  24           H        ALA  24  -0.954  -0.072  -3.816
  230    HA   ALA  24           HA       ALA  24  -3.741  -0.736  -3.549
  231   1HB   ALA  24          1HB       ALA  24  -3.388   1.551  -3.794
  232   2HB   ALA  24          2HB       ALA  24  -3.937   1.053  -5.395
  233   3HB   ALA  24          3HB       ALA  24  -2.220   1.333  -5.099
  234    H    LYS  25           H        LYS  25  -2.639  -2.956  -4.332
  235    HA   LYS  25           HA       LYS  25  -2.468  -3.417  -7.124
  236   1HB   LYS  25          2HB       LYS  25  -2.892  -5.840  -6.305
  237   2HB   LYS  25          1HB       LYS  25  -1.437  -5.032  -5.730
  238   1HG   LYS  25          2HG       LYS  25  -3.192  -4.327  -3.780
  239   2HG   LYS  25          1HG       LYS  25  -3.827  -5.908  -4.252
  240   1HD   LYS  25          2HD       LYS  25  -2.265  -6.198  -2.454
  241   2HD   LYS  25          1HD       LYS  25  -1.564  -6.865  -3.929
  242   1HE   LYS  25          2HE       LYS  25   0.148  -5.430  -3.884
  243   2HE   LYS  25          1HE       LYS  25  -0.908  -4.058  -3.551
  244   1HZ   LYS  25          1HZ       LYS  25   0.472  -4.236  -1.692
  245   2HZ   LYS  25          2HZ       LYS  25   0.338  -5.920  -1.621
  246   3HZ   LYS  25          3HZ       LYS  25  -0.980  -4.950  -1.193
  247    H    PHE  26           H        PHE  26  -4.821  -4.232  -4.688
  248    HA   PHE  26           HA       PHE  26  -7.023  -4.031  -6.611
  249   1HB   PHE  26          2HB       PHE  26  -7.397  -6.189  -6.137
  250   2HB   PHE  26          1HB       PHE  26  -6.126  -6.181  -4.938
  251    HD1  PHE  26           1HD      PHE  26  -6.575  -6.028  -2.631
  252    HD2  PHE  26           2HD      PHE  26  -9.740  -5.747  -5.461
  253    HE1  PHE  26           1HE      PHE  26  -8.204  -6.329  -0.822
  254    HE2  PHE  26           2HE      PHE  26 -11.384  -6.046  -3.653
  255    HZ   PHE  26           HZ       PHE  26 -10.618  -6.338  -1.329
  256    H    GLU  27           H        GLU  27  -5.513  -3.055  -3.779
  257    HA   GLU  27           HA       GLU  27  -7.621  -2.243  -2.132
  258   1HB   GLU  27          2HB       GLU  27  -4.914  -0.928  -2.387
  259   2HB   GLU  27          1HB       GLU  27  -5.956  -0.951  -0.980
  260   1HG   GLU  27          2HG       GLU  27  -4.418  -3.244  -2.153
  261   2HG   GLU  27          1HG       GLU  27  -4.189  -2.469  -0.584
  262    H    GLU  28           H        GLU  28  -6.272  -0.899  -5.019
  263    HA   GLU  28           HA       GLU  28  -7.284   1.759  -4.669
  264   1HB   GLU  28          2HB       GLU  28  -6.701   2.053  -7.040
  265   2HB   GLU  28          1HB       GLU  28  -5.378   1.322  -6.142
  266   1HG   GLU  28          2HG       GLU  28  -5.781  -0.801  -7.080
  267   2HG   GLU  28          1HG       GLU  28  -7.345  -0.302  -7.722
  268    H    GLU  29           H        GLU  29  -8.768  -1.108  -5.054
  269    HA   GLU  29           HA       GLU  29 -11.074   0.051  -6.473
  270   1HB   GLU  29          2HB       GLU  29 -10.371  -2.886  -6.310
  271   2HB   GLU  29          1HB       GLU  29 -11.615  -2.140  -7.308
  272   1HG   GLU  29          2HG       GLU  29  -8.713  -1.466  -7.635
  273   2HG   GLU  29          1HG       GLU  29  -9.445  -2.857  -8.435
  274    H    ARG  30           H        ARG  30  -9.860  -1.549  -3.680
  275    HA   ARG  30           HA       ARG  30 -12.511  -2.129  -2.629
  276   1HB   ARG  30          2HB       ARG  30 -11.441  -3.819  -1.654
  277   2HB   ARG  30          1HB       ARG  30  -9.909  -3.223  -2.272
  278   1HG   ARG  30          2HG       ARG  30  -9.307  -2.971  -0.154
  279   2HG   ARG  30          1HG       ARG  30 -10.404  -1.591  -0.122
  280   1HD   ARG  30          2HD       ARG  30 -12.122  -2.820   0.864
  281   2HD   ARG  30          1HD       ARG  30 -11.404  -4.364   0.405
  282    HE   ARG  30           HE       ARG  30  -9.564  -3.544   2.067
  283   1HH1  ARG  30          1HH1      ARG  30 -13.017  -3.194   2.378
  284   2HH1  ARG  30          2HH1      ARG  30 -12.990  -3.210   4.110
  285   1HH2  ARG  30          1HH2      ARG  30  -9.520  -3.561   4.348
  286   2HH2  ARG  30          2HH2      ARG  30 -11.004  -3.415   5.229
  287    H    ALA  31           H        ALA  31 -10.096   0.288  -2.453
  288    HA   ALA  31           HA       ALA  31 -11.427   1.501  -0.123
  289   1HB   ALA  31          1HB       ALA  31  -8.589   1.700  -1.100
  290   2HB   ALA  31          2HB       ALA  31  -9.173   1.148   0.470
  291   3HB   ALA  31          3HB       ALA  31  -9.274   2.856   0.043
  292    H    ARG  32           H        ARG  32 -11.801   1.566  -3.190
  293    HA   ARG  32           HA       ARG  32 -11.906   4.502  -3.454
  294   1HB   ARG  32          2HB       ARG  32 -10.802   2.617  -5.182
  295   2HB   ARG  32          1HB       ARG  32 -12.357   2.991  -5.903
  296   1HG   ARG  32          2HG       ARG  32 -10.491   4.388  -6.745
  297   2HG   ARG  32          1HG       ARG  32 -11.810   5.318  -6.032
  298   1HD   ARG  32          2HD       ARG  32 -10.248   4.941  -3.866
  299   2HD   ARG  32          1HD       ARG  32  -9.023   4.982  -5.136
  300    HE   ARG  32           HE       ARG  32 -10.717   7.174  -4.266
  301   1HH1  ARG  32          1HH1      ARG  32  -8.489   5.955  -6.655
  302   2HH1  ARG  32          2HH1      ARG  32  -8.090   7.525  -7.268
  303   1HH2  ARG  32          1HH2      ARG  32 -10.202   9.239  -5.071
  304   2HH2  ARG  32          2HH2      ARG  32  -9.064   9.391  -6.367
  305    H    ALA  33           H        ALA  33 -13.581   1.584  -4.561
  306    HA   ALA  33           HA       ALA  33 -15.999   2.759  -5.189
  307   1HB   ALA  33          1HB       ALA  33 -14.955   0.186  -5.090
  308   2HB   ALA  33          2HB       ALA  33 -16.528   0.670  -5.730
  309   3HB   ALA  33          3HB       ALA  33 -16.383   0.135  -4.054
  310    H    LYS  34           H        LYS  34 -14.613   2.317  -2.068
  311    HA   LYS  34           HA       LYS  34 -16.998   2.088  -0.574
  312   1HB   LYS  34          2HB       LYS  34 -15.379   3.449   1.142
  313   2HB   LYS  34          1HB       LYS  34 -15.406   1.705   0.961
  314   1HG   LYS  34          2HG       LYS  34 -13.277   1.718   0.377
  315   2HG   LYS  34          1HG       LYS  34 -13.596   2.810  -0.968
  316   1HD   LYS  34          2HD       LYS  34 -12.175   4.127   0.230
  317   2HD   LYS  34          1HD       LYS  34 -13.690   4.588   1.006
  318   1HE   LYS  34          2HE       LYS  34 -12.699   2.253   2.291
  319   2HE   LYS  34          1HE       LYS  34 -11.383   3.420   2.176
  320   1HZ   LYS  34          1HZ       LYS  34 -12.308   4.230   4.036
  321   2HZ   LYS  34          2HZ       LYS  34 -13.817   3.525   3.740
  322   3HZ   LYS  34          3HZ       LYS  34 -13.400   4.977   2.980
  323    H    TRP  35           H        TRP  35 -15.060   4.898  -1.503
  324    HA   TRP  35           HA       TRP  35 -17.259   6.655  -0.688
  325   1HB   TRP  35          2HB       TRP  35 -15.571   8.484  -1.055
  326   2HB   TRP  35          1HB       TRP  35 -15.158   7.361   0.237
  327    HD1  TRP  35           HD       TRP  35 -14.514   7.118  -3.578
  328    HE1  TRP  35           1HE      TRP  35 -12.027   6.763  -3.922
  329    HE3  TRP  35           3HE      TRP  35 -12.974   7.310   1.290
  330    HZ2  TRP  35           2HZ      TRP  35  -9.671   6.567  -2.368
  331    HZ3  TRP  35           3HZ      TRP  35 -10.580   7.015   1.774
  332    HH2  TRP  35           HH       TRP  35  -8.969   6.646  -0.019
  333    H    ASP  36           H        ASP  36 -16.186   5.011  -3.284
  334    HA   ASP  36           HA       ASP  36 -17.117   7.033  -5.213
  335   1HB   ASP  36          2HB       ASP  36 -14.784   5.356  -5.172
  336   2HB   ASP  36          1HB       ASP  36 -15.785   4.917  -6.559
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1  13.954  -5.461  -2.904
    2   2H    MET   1          2HT       MET   1  15.227  -6.075  -3.832
    3   3H    MET   1          3HT       MET   1  14.242  -4.851  -4.456
    4    HA   MET   1           HA       MET   1  16.418  -4.035  -3.709
    5   1HB   MET   1          2HB       MET   1  14.023  -3.029  -2.170
    6   2HB   MET   1          1HB       MET   1  15.495  -2.122  -2.483
    7   1HG   MET   1          2HG       MET   1  13.531  -3.094  -4.545
    8   2HG   MET   1          1HG       MET   1  13.726  -1.435  -3.982
    9   1HE   MET   1          1HE       MET   1  16.377  -0.991  -3.522
   10   2HE   MET   1          2HE       MET   1  16.472   0.029  -4.956
   11   3HE   MET   1          3HE       MET   1  17.621  -1.291  -4.734
   12    H    TRP   2           H        TRP   2  15.106  -3.259  -0.716
   13    HA   TRP   2           HA       TRP   2  17.033  -5.002   0.644
   14   1HB   TRP   2          2HB       TRP   2  16.139  -2.769   2.206
   15   2HB   TRP   2          1HB       TRP   2  17.772  -3.149   1.675
   16    HD1  TRP   2           HD       TRP   2  18.758  -1.557  -0.133
   17    HE1  TRP   2           1HE      TRP   2  17.827   0.427  -1.493
   18    HE3  TRP   2           3HE      TRP   2  13.842  -2.017   1.048
   19    HZ2  TRP   2           2HZ      TRP   2  15.288   1.620  -1.934
   20    HZ3  TRP   2           3HZ      TRP   2  12.245  -0.411   0.145
   21    HH2  TRP   2           HH       TRP   2  12.956   1.371  -1.339
   22    H    LYS   3           H        LYS   3  14.579  -3.096   2.298
   23    HA   LYS   3           HA       LYS   3  13.494  -5.543   3.443
   24   1HB   LYS   3          2HB       LYS   3  12.483  -4.232   5.079
   25   2HB   LYS   3          1HB       LYS   3  14.051  -3.488   4.861
   26   1HG   LYS   3          2HG       LYS   3  11.326  -2.511   4.078
   27   2HG   LYS   3          1HG       LYS   3  12.505  -1.749   5.137
   28   1HD   LYS   3          2HD       LYS   3  13.817  -1.030   3.337
   29   2HD   LYS   3          1HD       LYS   3  13.068  -2.185   2.233
   30   1HE   LYS   3          2HE       LYS   3  11.563   0.086   3.510
   31   2HE   LYS   3          1HE       LYS   3  12.366   0.212   1.945
   32   1HZ   LYS   3          1HZ       LYS   3  10.723  -0.853   0.953
   33   2HZ   LYS   3          2HZ       LYS   3   9.828  -0.671   2.376
   34   3HZ   LYS   3          3HZ       LYS   3  10.704  -2.092   2.104
   35    H    VAL   4           H        VAL   4  12.901  -3.355   1.031
   36    HA   VAL   4           HA       VAL   4  10.280  -2.982   0.812
   37    HB   VAL   4           HB       VAL   4  12.260  -2.367  -0.772
   38   1HG1  VAL   4          1HG1      VAL   4  12.903  -4.419  -1.685
   39   2HG1  VAL   4          2HG1      VAL   4  11.924  -3.695  -2.961
   40   3HG1  VAL   4          3HG1      VAL   4  11.235  -4.945  -1.920
   41   1HG2  VAL   4          1HG2      VAL   4  10.749  -1.347  -2.097
   42   2HG2  VAL   4          2HG2      VAL   4   9.641  -1.891  -0.840
   43   3HG2  VAL   4          3HG2      VAL   4   9.798  -2.811  -2.337
   44    H    GLY   5           H        GLY   5  12.031  -5.910  -0.141
   45   1HA   GLY   5          2HA       GLY   5  10.248  -7.321  -1.528
   46   2HA   GLY   5          1HA       GLY   5  11.220  -8.087  -0.279
   47    H    PHE   6           H        PHE   6  10.043  -6.899   1.972
   48    HA   PHE   6           HA       PHE   6   7.299  -7.876   1.726
   49   1HB   PHE   6          2HB       PHE   6   7.415  -8.775   3.993
   50   2HB   PHE   6          1HB       PHE   6   8.675  -9.483   2.988
   51    HD1  PHE   6           1HD      PHE   6  11.008  -8.321   3.120
   52    HD2  PHE   6           2HD      PHE   6   7.956  -7.921   6.059
   53    HE1  PHE   6           1HE      PHE   6  12.699  -7.662   4.780
   54    HE2  PHE   6           2HE      PHE   6   9.642  -7.258   7.724
   55    HZ   PHE   6           HZ       PHE   6  12.016  -7.129   7.086
   56    H    PHE   7           H        PHE   7   8.868  -5.153   1.902
   57    HA   PHE   7           HA       PHE   7   7.270  -3.967   4.057
   58   1HB   PHE   7          2HB       PHE   7   9.889  -3.624   3.411
   59   2HB   PHE   7          1HB       PHE   7   9.144  -2.259   2.587
   60    HD1  PHE   7           1HD      PHE   7   9.762  -0.419   3.820
   61    HD2  PHE   7           2HD      PHE   7   8.185  -3.820   5.828
   62    HE1  PHE   7           1HE      PHE   7   9.705   0.861   5.911
   63    HE2  PHE   7           2HE      PHE   7   8.114  -2.547   7.932
   64    HZ   PHE   7           HZ       PHE   7   8.873  -0.205   7.979
   65    H    LYS   8           H        LYS   8   7.882  -3.613   0.586
   66    HA   LYS   8           HA       LYS   8   6.292  -1.346   0.245
   67   1HB   LYS   8          2HB       LYS   8   6.088  -2.179  -2.169
   68   2HB   LYS   8          1HB       LYS   8   7.684  -1.809  -1.528
   69   1HG   LYS   8          2HG       LYS   8   7.269  -3.951  -2.963
   70   2HG   LYS   8          1HG       LYS   8   8.377  -3.950  -1.602
   71   1HD   LYS   8          2HD       LYS   8   7.185  -5.921  -1.327
   72   2HD   LYS   8          1HD       LYS   8   6.383  -4.795  -0.228
   73   1HE   LYS   8          2HE       LYS   8   4.464  -5.144  -1.254
   74   2HE   LYS   8          1HE       LYS   8   5.151  -4.555  -2.768
   75   1HZ   LYS   8          1HZ       LYS   8   4.886  -6.608  -3.534
   76   2HZ   LYS   8          2HZ       LYS   8   4.497  -7.219  -2.007
   77   3HZ   LYS   8          3HZ       LYS   8   6.116  -7.110  -2.487
   78    H    ARG   9           H        ARG   9   5.385  -4.365   1.223
   79    HA   ARG   9           HA       ARG   9   2.614  -3.951   0.340
   80   1HB   ARG   9          2HB       ARG   9   2.733  -6.088  -0.355
   81   2HB   ARG   9          1HB       ARG   9   4.293  -6.317   0.420
   82   1HG   ARG   9          2HG       ARG   9   2.011  -6.309   2.258
   83   2HG   ARG   9          1HG       ARG   9   2.017  -7.629   1.087
   84   1HD   ARG   9          2HD       ARG   9   4.518  -7.862   1.803
   85   2HD   ARG   9          1HD       ARG   9   3.988  -6.983   3.237
   86    HE   ARG   9           HE       ARG   9   2.831  -9.556   2.374
   87   1HH1  ARG   9          1HH1      ARG   9   3.879  -7.342   4.855
   88   2HH1  ARG   9          2HH1      ARG   9   3.458  -8.404   6.157
   89   1HH2  ARG   9          1HH2      ARG   9   2.275 -10.956   4.083
   90   2HH2  ARG   9          2HH2      ARG   9   2.548 -10.456   5.719
   91    H    ASN  10           H        ASN  10   4.837  -4.240   2.920
   92    HA   ASN  10           HA       ASN  10   2.783  -4.442   4.980
   93   1HB   ASN  10          2HB       ASN  10   4.694  -5.832   5.348
   94   2HB   ASN  10          1HB       ASN  10   5.800  -4.488   5.049
   95   1HD2  ASN  10          1HD2      ASN  10   3.092  -5.357   7.179
   96   2HD2  ASN  10          2HD2      ASN  10   3.777  -4.674   8.611
   97    H    ARG  11           H        ARG  11   5.766  -2.538   4.937
   98    HA   ARG  11           HA       ARG  11   6.214  -0.392   5.537
   99   1HB   ARG  11          2HB       ARG  11   3.926  -0.268   3.791
  100   2HB   ARG  11          1HB       ARG  11   3.928   1.030   4.967
  101   1HG   ARG  11          2HG       ARG  11   6.387   0.425   3.401
  102   2HG   ARG  11          1HG       ARG  11   5.094   1.413   2.715
  103   1HD   ARG  11          2HD       ARG  11   5.893   3.179   3.797
  104   2HD   ARG  11          1HD       ARG  11   5.570   2.367   5.329
  105    HE   ARG  11           HE       ARG  11   7.973   1.363   4.392
  106   1HH1  ARG  11          1HH1      ARG  11   6.684   4.449   5.379
  107   2HH1  ARG  11          2HH1      ARG  11   8.215   5.060   5.912
  108   1HH2  ARG  11          1HH2      ARG  11   9.988   2.160   5.086
  109   2HH2  ARG  11          2HH2      ARG  11  10.094   3.760   5.744
  110   1H    LYS  12          1HT       LYS  12  16.041   5.257  -0.849
  111   2H    LYS  12          2HT       LYS  12  15.929   3.910  -1.865
  112   3H    LYS  12          3HT       LYS  12  17.157   3.993  -0.705
  113    HA   LYS  12           HA       LYS  12  14.838   2.705  -0.404
  114   1HB   LYS  12          2HB       LYS  12  16.955   2.523   0.907
  115   2HB   LYS  12          1HB       LYS  12  16.408   3.901   1.861
  116   1HG   LYS  12          2HG       LYS  12  14.226   2.274   1.947
  117   2HG   LYS  12          1HG       LYS  12  15.556   1.106   1.939
  118   1HD   LYS  12          2HD       LYS  12  15.538   1.464   4.142
  119   2HD   LYS  12          1HD       LYS  12  16.463   2.909   3.742
  120   1HE   LYS  12          2HE       LYS  12  13.920   3.791   3.412
  121   2HE   LYS  12          1HE       LYS  12  13.701   2.620   4.712
  122   1HZ   LYS  12          1HZ       LYS  12  15.893   3.969   5.508
  123   2HZ   LYS  12          2HZ       LYS  12  14.316   4.301   6.023
  124   3HZ   LYS  12          3HZ       LYS  12  14.996   5.193   4.757
  125    H    LEU  13           H        LEU  13  14.733   5.961  -0.554
  126    HA   LEU  13           HA       LEU  13  12.580   6.045   1.413
  127   1HB   LEU  13          2HB       LEU  13  13.940   8.328  -0.025
  128   2HB   LEU  13          1HB       LEU  13  12.691   8.495   1.195
  129    HG   LEU  13           HG       LEU  13  14.437   8.778   2.593
  130   1HD1  LEU  13          1HD1      LEU  13  14.449   5.769   2.256
  131   2HD1  LEU  13          2HD1      LEU  13  13.621   6.738   3.484
  132   3HD1  LEU  13          3HD1      LEU  13  15.379   6.620   3.499
  133   1HD2  LEU  13          1HD2      LEU  13  16.563   8.745   1.909
  134   2HD2  LEU  13          2HD2      LEU  13  15.893   8.342   0.327
  135   3HD2  LEU  13          3HD2      LEU  13  16.472   7.062   1.394
  136    H    LEU  14           H        LEU  14  12.732   4.922  -1.395
  137    HA   LEU  14           HA       LEU  14  10.731   6.396  -2.861
  138   1HB   LEU  14          2HB       LEU  14  10.806   4.437  -4.394
  139   2HB   LEU  14          1HB       LEU  14  12.374   5.178  -4.138
  140    HG   LEU  14           HG       LEU  14  12.129   3.118  -2.205
  141   1HD1  LEU  14          1HD1      LEU  14  11.820   1.819  -4.844
  142   2HD1  LEU  14          2HD1      LEU  14  10.357   2.451  -4.090
  143   3HD1  LEU  14          3HD1      LEU  14  11.346   1.264  -3.239
  144   1HD2  LEU  14          1HD2      LEU  14  14.007   4.130  -3.928
  145   2HD2  LEU  14          2HD2      LEU  14  13.716   2.519  -4.582
  146   3HD2  LEU  14          3HD2      LEU  14  14.215   2.711  -2.901
  147    H    ILE  15           H        ILE  15  10.867   4.358  -0.280
  148    HA   ILE  15           HA       ILE  15   8.373   2.958  -0.665
  149    HB   ILE  15           HB       ILE  15  10.221   3.132   1.728
  150   1HG1  ILE  15          2HG1      ILE  15  11.242   2.167  -0.292
  151   2HG1  ILE  15          1HG1      ILE  15  11.063   0.983   0.997
  152   1HG2  ILE  15          1HG2      ILE  15   8.513   0.772   1.456
  153   2HG2  ILE  15          2HG2      ILE  15   7.622   2.265   1.754
  154   3HG2  ILE  15          3HG2      ILE  15   8.878   1.749   2.880
  155   1HD1  ILE  15          1HD1      ILE  15   9.452  -0.191  -0.118
  156   2HD1  ILE  15          2HD1      ILE  15  10.443   0.388  -1.461
  157   3HD1  ILE  15          3HD1      ILE  15   8.934   1.207  -1.061
  158    H    THR  16           H        THR  16   8.580   5.955  -0.549
  159    HA   THR  16           HA       THR  16   6.793   6.454   1.734
  160    HB   THR  16           HB       THR  16   8.557   8.346   0.165
  161    HG1  THR  16           1HG      THR  16   9.484   6.971   1.847
  162   1HG2  THR  16          1HG2      THR  16   7.233   9.274   2.628
  163   2HG2  THR  16          2HG2      THR  16   6.227   9.161   1.185
  164   3HG2  THR  16          3HG2      THR  16   7.682  10.159   1.170
  165    H    ILE  17           H        ILE  17   7.186   6.731  -1.733
  166    HA   ILE  17           HA       ILE  17   4.382   7.610  -1.914
  167    HB   ILE  17           HB       ILE  17   6.532   9.019  -2.863
  168   1HG1  ILE  17          2HG1      ILE  17   4.272   9.880  -2.504
  169   2HG1  ILE  17          1HG1      ILE  17   4.868  10.346  -4.094
  170   1HG2  ILE  17          1HG2      ILE  17   5.521   7.260  -5.063
  171   2HG2  ILE  17          2HG2      ILE  17   7.183   7.674  -4.637
  172   3HG2  ILE  17          3HG2      ILE  17   6.146   8.874  -5.407
  173   1HD1  ILE  17          1HD1      ILE  17   3.580   8.382  -5.012
  174   2HD1  ILE  17          2HD1      ILE  17   2.620   9.719  -4.376
  175   3HD1  ILE  17          3HD1      ILE  17   2.827   8.252  -3.421
  176    H    HIS  18           H        HIS  18   6.902   5.549  -3.286
  177    HA   HIS  18           HA       HIS  18   5.249   4.393  -5.291
  178   1HB   HIS  18          2HB       HIS  18   7.267   3.703  -5.953
  179   2HB   HIS  18          1HB       HIS  18   7.975   4.146  -4.407
  180    HD1  HIS  18           1HD      HIS  18   7.647   2.166  -2.493
  181    HD2  HIS  18           2HD      HIS  18   7.372   1.064  -6.488
  182    HE1  HIS  18           1HE      HIS  18   8.035  -0.317  -2.534
  183    HE2  HIS  18           2HE      HIS  18   7.923  -0.953  -4.967
  184    H    ASP  19           H        ASP  19   5.630   3.905  -1.918
  185    HA   ASP  19           HA       ASP  19   4.508   1.258  -1.872
  186   1HB   ASP  19          2HB       ASP  19   5.882   2.917  -0.046
  187   2HB   ASP  19          1HB       ASP  19   4.305   2.589   0.668
  188    H    ARG  20           H        ARG  20   3.319   4.407  -2.143
  189    HA   ARG  20           HA       ARG  20   0.767   3.961  -0.893
  190   1HB   ARG  20          2HB       ARG  20   2.210   6.192  -1.847
  191   2HB   ARG  20          1HB       ARG  20   0.733   6.118  -2.798
  192   1HG   ARG  20          2HG       ARG  20   0.243   7.493  -0.957
  193   2HG   ARG  20          1HG       ARG  20  -0.515   5.938  -0.607
  194   1HD   ARG  20          2HD       ARG  20   2.111   5.822   0.415
  195   2HD   ARG  20          1HD       ARG  20   1.439   7.377   0.907
  196    HE   ARG  20           HE       ARG  20  -0.003   4.859   1.405
  197   1HH1  ARG  20          1HH1      ARG  20   1.404   7.841   2.535
  198   2HH1  ARG  20          2HH1      ARG  20   0.747   7.695   4.130
  199   1HH2  ARG  20          1HH2      ARG  20  -0.875   4.663   3.500
  200   2HH2  ARG  20          2HH2      ARG  20  -0.548   5.889   4.678
  201    H    LYS  21           H        LYS  21   2.184   2.940  -3.701
  202    HA   LYS  21           HA       LYS  21  -0.414   2.582  -5.042
  203   1HB   LYS  21          2HB       LYS  21   1.755   2.199  -6.864
  204   2HB   LYS  21          1HB       LYS  21   0.467   3.396  -6.925
  205   1HG   LYS  21          2HG       LYS  21   1.741   5.012  -5.877
  206   2HG   LYS  21          1HG       LYS  21   2.842   3.829  -5.167
  207   1HD   LYS  21          2HD       LYS  21   4.146   4.694  -6.859
  208   2HD   LYS  21          1HD       LYS  21   3.418   3.301  -7.662
  209   1HE   LYS  21          2HE       LYS  21   1.940   4.624  -8.881
  210   2HE   LYS  21          1HE       LYS  21   2.110   5.993  -7.784
  211   1HZ   LYS  21          1HZ       LYS  21   3.501   6.774  -9.325
  212   2HZ   LYS  21          2HZ       LYS  21   3.693   5.272 -10.077
  213   3HZ   LYS  21          3HZ       LYS  21   4.622   5.661  -8.718
  214    H    GLU  22           H        GLU  22   2.537   1.158  -3.917
  215    HA   GLU  22           HA       GLU  22   2.396  -1.315  -5.239
  216   1HB   GLU  22          2HB       GLU  22   3.813  -0.201  -2.876
  217   2HB   GLU  22          1HB       GLU  22   3.736  -1.946  -3.023
  218   1HG   GLU  22          2HG       GLU  22   4.533  -0.491  -5.448
  219   2HG   GLU  22          1HG       GLU  22   5.662  -0.416  -4.089
  220    H    PHE  23           H        PHE  23   0.511   0.017  -2.745
  221    HA   PHE  23           HA       PHE  23  -0.349  -2.606  -1.765
  222   1HB   PHE  23          2HB       PHE  23   0.168  -0.813  -0.117
  223   2HB   PHE  23          1HB       PHE  23  -1.143   0.147  -0.791
  224    HD1  PHE  23           1HD      PHE  23  -3.347  -0.164  -0.076
  225    HD2  PHE  23           2HD      PHE  23  -0.376  -3.038   0.935
  226    HE1  PHE  23           1HE      PHE  23  -4.931  -1.256   1.458
  227    HE2  PHE  23           2HE      PHE  23  -1.955  -4.136   2.470
  228    HZ   PHE  23           HZ       PHE  23  -4.236  -3.245   2.733
  229    H    ALA  24           H        ALA  24  -1.573   0.303  -3.351
  230    HA   ALA  24           HA       ALA  24  -4.228  -0.811  -3.635
  231   1HB   ALA  24          1HB       ALA  24  -4.227   1.512  -3.305
  232   2HB   ALA  24          2HB       ALA  24  -4.577   1.306  -5.022
  233   3HB   ALA  24          3HB       ALA  24  -2.957   1.770  -4.501
  234    H    LYS  25           H        LYS  25  -2.292  -2.430  -4.754
  235    HA   LYS  25           HA       LYS  25  -2.051  -2.084  -7.580
  236   1HB   LYS  25          2HB       LYS  25  -1.590  -4.682  -7.307
  237   2HB   LYS  25          1HB       LYS  25  -0.411  -3.495  -6.763
  238   1HG   LYS  25          2HG       LYS  25  -0.496  -4.370  -4.728
  239   2HG   LYS  25          1HG       LYS  25  -2.205  -3.910  -4.615
  240   1HD   LYS  25          2HD       LYS  25  -1.967  -6.280  -4.188
  241   2HD   LYS  25          1HD       LYS  25  -2.805  -6.038  -5.723
  242   1HE   LYS  25          2HE       LYS  25  -0.864  -6.596  -6.969
  243   2HE   LYS  25          1HE       LYS  25   0.162  -6.514  -5.538
  244   1HZ   LYS  25          1HZ       LYS  25  -0.206  -8.785  -5.991
  245   2HZ   LYS  25          2HZ       LYS  25  -1.871  -8.569  -6.192
  246   3HZ   LYS  25          3HZ       LYS  25  -1.180  -8.420  -4.655
  247    H    PHE  26           H        PHE  26  -3.802  -4.385  -5.588
  248    HA   PHE  26           HA       PHE  26  -5.905  -4.623  -7.631
  249   1HB   PHE  26          2HB       PHE  26  -5.020  -6.780  -7.391
  250   2HB   PHE  26          1HB       PHE  26  -4.679  -6.535  -5.683
  251    HD1  PHE  26           1HD      PHE  26  -6.037  -7.512  -4.117
  252    HD2  PHE  26           2HD      PHE  26  -7.557  -6.828  -8.031
  253    HE1  PHE  26           1HE      PHE  26  -8.096  -8.723  -3.523
  254    HE2  PHE  26           2HE      PHE  26  -9.621  -8.035  -7.446
  255    HZ   PHE  26           HZ       PHE  26  -9.892  -8.985  -5.189
  256    H    GLU  27           H        GLU  27  -4.960  -3.564  -4.624
  257    HA   GLU  27           HA       GLU  27  -7.294  -3.745  -3.077
  258   1HB   GLU  27          2HB       GLU  27  -4.753  -2.220  -3.038
  259   2HB   GLU  27          1HB       GLU  27  -6.069  -1.551  -2.102
  260   1HG   GLU  27          2HG       GLU  27  -4.617  -4.125  -1.749
  261   2HG   GLU  27          1HG       GLU  27  -4.953  -2.857  -0.566
  262    H    GLU  28           H        GLU  28  -6.256  -1.566  -5.588
  263    HA   GLU  28           HA       GLU  28  -8.212   0.464  -5.058
  264   1HB   GLU  28          2HB       GLU  28  -7.483   1.462  -7.129
  265   2HB   GLU  28          1HB       GLU  28  -6.066   0.901  -6.252
  266   1HG   GLU  28          2HG       GLU  28  -6.149  -1.173  -7.682
  267   2HG   GLU  28          1HG       GLU  28  -7.361  -0.346  -8.659
  268    H    GLU  29           H        GLU  29  -8.389  -2.618  -6.214
  269    HA   GLU  29           HA       GLU  29 -10.879  -2.068  -7.686
  270   1HB   GLU  29          2HB       GLU  29  -9.250  -4.546  -8.145
  271   2HB   GLU  29          1HB       GLU  29 -10.407  -3.764  -9.218
  272   1HG   GLU  29          2HG       GLU  29  -7.925  -2.302  -8.486
  273   2HG   GLU  29          1HG       GLU  29  -7.823  -3.624  -9.652
  274    H    ARG  30           H        ARG  30  -9.528  -3.335  -4.943
  275    HA   ARG  30           HA       ARG  30 -11.589  -5.388  -4.591
  276   1HB   ARG  30          2HB       ARG  30  -9.354  -6.193  -4.245
  277   2HB   ARG  30          1HB       ARG  30  -8.985  -4.862  -3.161
  278   1HG   ARG  30          2HG       ARG  30 -11.260  -6.540  -2.362
  279   2HG   ARG  30          1HG       ARG  30  -9.683  -7.331  -2.361
  280   1HD   ARG  30          2HD       ARG  30  -9.362  -4.776  -1.185
  281   2HD   ARG  30          1HD       ARG  30 -10.779  -5.525  -0.450
  282    HE   ARG  30           HE       ARG  30  -8.084  -6.213   0.023
  283   1HH1  ARG  30          1HH1      ARG  30 -11.221  -7.672  -0.415
  284   2HH1  ARG  30          2HH1      ARG  30 -10.845  -9.067   0.541
  285   1HH2  ARG  30          1HH2      ARG  30  -7.586  -8.046   1.280
  286   2HH2  ARG  30          2HH2      ARG  30  -8.781  -9.278   1.505
  287    H    ALA  31           H        ALA  31 -10.062  -2.699  -2.810
  288    HA   ALA  31           HA       ALA  31 -12.507  -2.512  -1.181
  289   1HB   ALA  31          1HB       ALA  31  -9.808  -1.475  -0.367
  290   2HB   ALA  31          2HB       ALA  31 -10.342  -3.119  -0.015
  291   3HB   ALA  31          3HB       ALA  31 -11.228  -1.742   0.643
  292    H    ARG  32           H        ARG  32 -11.429  -1.169  -3.798
  293    HA   ARG  32           HA       ARG  32 -11.914   1.609  -2.951
  294   1HB   ARG  32          2HB       ARG  32  -9.881   0.571  -4.535
  295   2HB   ARG  32          1HB       ARG  32 -11.008   1.260  -5.695
  296   1HG   ARG  32          2HG       ARG  32  -9.237   2.829  -4.991
  297   2HG   ARG  32          1HG       ARG  32 -10.866   3.415  -4.657
  298   1HD   ARG  32          2HD       ARG  32 -10.335   2.174  -2.327
  299   2HD   ARG  32          1HD       ARG  32  -8.702   2.647  -2.799
  300    HE   ARG  32           HE       ARG  32 -10.797   4.685  -2.834
  301   1HH1  ARG  32          1HH1      ARG  32  -7.961   3.333  -1.324
  302   2HH1  ARG  32          2HH1      ARG  32  -7.628   4.752  -0.389
  303   1HH2  ARG  32          1HH2      ARG  32 -10.369   6.550  -1.609
  304   2HH2  ARG  32          2HH2      ARG  32  -8.998   6.583  -0.550
  305    H    ALA  33           H        ALA  33 -12.481  -0.418  -5.831
  306    HA   ALA  33           HA       ALA  33 -14.474   1.046  -6.992
  307   1HB   ALA  33          1HB       ALA  33 -15.168  -1.723  -7.227
  308   2HB   ALA  33          2HB       ALA  33 -13.417  -1.539  -7.310
  309   3HB   ALA  33          3HB       ALA  33 -14.451  -0.649  -8.427
  310    H    LYS  34           H        LYS  34 -14.673  -0.779  -4.059
  311    HA   LYS  34           HA       LYS  34 -17.395  -1.314  -3.892
  312   1HB   LYS  34          2HB       LYS  34 -17.041  -0.918  -1.376
  313   2HB   LYS  34          1HB       LYS  34 -16.104  -2.195  -2.139
  314   1HG   LYS  34          2HG       LYS  34 -14.151  -0.780  -2.190
  315   2HG   LYS  34          1HG       LYS  34 -15.091   0.589  -1.599
  316   1HD   LYS  34          2HD       LYS  34 -13.723  -0.499   0.159
  317   2HD   LYS  34          1HD       LYS  34 -15.451  -0.499   0.516
  318   1HE   LYS  34          2HE       LYS  34 -14.428  -2.860  -0.928
  319   2HE   LYS  34          1HE       LYS  34 -13.864  -2.671   0.731
  320   1HZ   LYS  34          1HZ       LYS  34 -15.768  -3.699   1.237
  321   2HZ   LYS  34          2HZ       LYS  34 -16.489  -3.355  -0.255
  322   3HZ   LYS  34          3HZ       LYS  34 -16.496  -2.193   0.974
  323    H    TRP  35           H        TRP  35 -15.649   1.521  -2.701
  324    HA   TRP  35           HA       TRP  35 -18.147   3.030  -2.589
  325   1HB   TRP  35          2HB       TRP  35 -16.709   4.722  -1.412
  326   2HB   TRP  35          1HB       TRP  35 -16.852   3.185  -0.573
  327    HD1  TRP  35           HD       TRP  35 -14.421   4.331  -3.364
  328    HE1  TRP  35           1HE      TRP  35 -12.053   3.912  -2.548
  329    HE3  TRP  35           3HE      TRP  35 -15.465   2.517   1.295
  330    HZ2  TRP  35           2HZ      TRP  35 -10.740   2.936  -0.238
  331    HZ3  TRP  35           3HZ      TRP  35 -13.592   1.856   2.743
  332    HH2  TRP  35           HH       TRP  35 -11.277   2.062   1.994
  333    H    ASP  36           H        ASP  36 -15.805   2.314  -4.704
  334    HA   ASP  36           HA       ASP  36 -15.880   4.944  -6.029
  335   1HB   ASP  36          2HB       ASP  36 -13.688   3.234  -5.377
  336   2HB   ASP  36          1HB       ASP  36 -13.842   3.275  -7.135
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1  14.208  -4.855  -3.915
    2   2H    MET   1          2HT       MET   1  14.208  -5.770  -2.493
    3   3H    MET   1          3HT       MET   1  15.277  -6.155  -3.745
    4    HA   MET   1           HA       MET   1  16.654  -4.384  -3.337
    5   1HB   MET   1          2HB       MET   1  14.396  -3.147  -1.764
    6   2HB   MET   1          1HB       MET   1  15.953  -2.403  -2.096
    7   1HG   MET   1          2HG       MET   1  13.974  -3.207  -4.216
    8   2HG   MET   1          1HG       MET   1  14.092  -1.590  -3.525
    9   1HE   MET   1          1HE       MET   1  16.760  -1.262  -2.882
   10   2HE   MET   1          2HE       MET   1  17.136  -0.162  -4.209
   11   3HE   MET   1          3HE       MET   1  18.068  -1.644  -4.003
   12    H    TRP   2           H        TRP   2  15.090  -3.786  -0.333
   13    HA   TRP   2           HA       TRP   2  16.974  -5.581   1.034
   14   1HB   TRP   2          2HB       TRP   2  16.086  -3.372   2.634
   15   2HB   TRP   2          1HB       TRP   2  17.726  -3.780   2.152
   16    HD1  TRP   2           HD       TRP   2  18.801  -2.300   0.289
   17    HE1  TRP   2           1HE      TRP   2  18.016  -0.228  -1.021
   18    HE3  TRP   2           3HE      TRP   2  13.841  -2.306   1.587
   19    HZ2  TRP   2           2HZ      TRP   2  15.605   1.189  -1.406
   20    HZ3  TRP   2           3HZ      TRP   2  12.402  -0.521   0.691
   21    HH2  TRP   2           HH       TRP   2  13.283   1.168  -0.778
   22    H    LYS   3           H        LYS   3  14.514  -3.615   2.551
   23    HA   LYS   3           HA       LYS   3  13.222  -5.990   3.642
   24   1HB   LYS   3          2HB       LYS   3  12.112  -4.494   5.153
   25   2HB   LYS   3          1HB       LYS   3  13.803  -4.013   5.113
   26   1HG   LYS   3          2HG       LYS   3  11.988  -2.640   3.226
   27   2HG   LYS   3          1HG       LYS   3  11.743  -2.303   4.937
   28   1HD   LYS   3          2HD       LYS   3  14.031  -1.569   5.167
   29   2HD   LYS   3          1HD       LYS   3  14.380  -2.043   3.508
   30   1HE   LYS   3          2HE       LYS   3  14.066   0.357   3.675
   31   2HE   LYS   3          1HE       LYS   3  12.819  -0.389   2.665
   32   1HZ   LYS   3          1HZ       LYS   3  11.341   0.617   3.963
   33   2HZ   LYS   3          2HZ       LYS   3  12.535   1.149   5.036
   34   3HZ   LYS   3          3HZ       LYS   3  11.826  -0.372   5.248
   35    H    VAL   4           H        VAL   4  12.940  -3.562   1.348
   36    HA   VAL   4           HA       VAL   4  10.416  -3.004   0.847
   37    HB   VAL   4           HB       VAL   4  12.559  -2.485  -0.509
   38   1HG1  VAL   4          1HG1      VAL   4  13.177  -4.598  -1.343
   39   2HG1  VAL   4          2HG1      VAL   4  12.461  -3.773  -2.728
   40   3HG1  VAL   4          3HG1      VAL   4  11.527  -4.982  -1.840
   41   1HG2  VAL   4          1HG2      VAL   4  11.275  -1.532  -2.186
   42   2HG2  VAL   4          2HG2      VAL   4  10.141  -1.701  -0.848
   43   3HG2  VAL   4          3HG2      VAL   4  10.108  -2.853  -2.183
   44    H    GLY   5           H        GLY   5  11.951  -6.088  -0.032
   45   1HA   GLY   5          2HA       GLY   5  10.222  -7.248  -1.680
   46   2HA   GLY   5          1HA       GLY   5  10.891  -8.153  -0.328
   47    H    PHE   6           H        PHE   6   9.604  -7.085   1.794
   48    HA   PHE   6           HA       PHE   6   6.783  -7.452   1.104
   49   1HB   PHE   6          2HB       PHE   6   6.396  -8.669   3.131
   50   2HB   PHE   6          1HB       PHE   6   7.792  -9.405   2.350
   51    HD1  PHE   6           1HD      PHE   6   6.507  -8.112   5.357
   52    HD2  PHE   6           2HD      PHE   6  10.118  -8.523   3.145
   53    HE1  PHE   6           1HE      PHE   6   7.803  -7.818   7.427
   54    HE2  PHE   6           2HE      PHE   6  11.422  -8.230   5.211
   55    HZ   PHE   6           HZ       PHE   6  10.265  -7.878   7.355
   56    H    PHE   7           H        PHE   7   8.801  -5.145   1.736
   57    HA   PHE   7           HA       PHE   7   7.343  -3.916   3.923
   58   1HB   PHE   7          2HB       PHE   7   9.938  -3.923   3.521
   59   2HB   PHE   7          1HB       PHE   7   9.541  -2.491   2.573
   60    HD1  PHE   7           1HD      PHE   7   8.501  -3.926   5.857
   61    HD2  PHE   7           2HD      PHE   7   9.795  -0.529   3.654
   62    HE1  PHE   7           1HE      PHE   7   8.358  -2.560   7.896
   63    HE2  PHE   7           2HE      PHE   7   9.670   0.846   5.688
   64    HZ   PHE   7           HZ       PHE   7   8.934  -0.176   7.807
   65    H    LYS   8           H        LYS   8   7.788  -3.570   0.520
   66    HA   LYS   8           HA       LYS   8   6.724  -0.952   0.403
   67   1HB   LYS   8          2HB       LYS   8   6.634  -1.380  -2.046
   68   2HB   LYS   8          1HB       LYS   8   8.190  -1.604  -1.260
   69   1HG   LYS   8          2HG       LYS   8   6.911  -3.365  -3.005
   70   2HG   LYS   8          1HG       LYS   8   8.376  -3.616  -2.081
   71   1HD   LYS   8          2HD       LYS   8   7.422  -5.271  -0.999
   72   2HD   LYS   8          1HD       LYS   8   6.226  -4.144  -0.343
   73   1HE   LYS   8          2HE       LYS   8   6.050  -5.754  -2.876
   74   2HE   LYS   8          1HE       LYS   8   5.069  -5.910  -1.419
   75   1HZ   LYS   8          1HZ       LYS   8   4.184  -4.627  -3.498
   76   2HZ   LYS   8          2HZ       LYS   8   5.069  -3.344  -2.843
   77   3HZ   LYS   8          3HZ       LYS   8   3.840  -4.071  -1.938
   78    H    ARG   9           H        ARG   9   5.378  -3.818   1.082
   79    HA   ARG   9           HA       ARG   9   2.716  -2.899   0.292
   80   1HB   ARG   9          2HB       ARG   9   1.990  -5.155   0.025
   81   2HB   ARG   9          1HB       ARG   9   3.524  -5.040  -0.823
   82   1HG   ARG   9          2HG       ARG   9   4.582  -5.931   1.317
   83   2HG   ARG   9          1HG       ARG   9   2.940  -6.353   1.805
   84   1HD   ARG   9          2HD       ARG   9   4.309  -7.270  -0.723
   85   2HD   ARG   9          1HD       ARG   9   4.112  -8.235   0.739
   86    HE   ARG   9           HE       ARG   9   1.833  -7.254  -0.857
   87   1HH1  ARG   9          1HH1      ARG   9   3.456  -9.743   0.963
   88   2HH1  ARG   9          2HH1      ARG   9   2.161 -10.883   0.806
   89   1HH2  ARG   9          1HH2      ARG   9   0.123  -8.752  -1.073
   90   2HH2  ARG   9          2HH2      ARG   9   0.268 -10.320  -0.352
   91    H    ASN  10           H        ASN  10   4.753  -2.753   2.525
   92    HA   ASN  10           HA       ASN  10   3.036  -3.508   4.787
   93   1HB   ASN  10          2HB       ASN  10   5.807  -3.993   4.113
   94   2HB   ASN  10          1HB       ASN  10   5.670  -3.180   5.661
   95   1HD2  ASN  10          1HD2      ASN  10   3.356  -5.430   4.263
   96   2HD2  ASN  10          2HD2      ASN  10   3.532  -6.652   5.471
   97    H    ARG  11           H        ARG  11   5.995  -1.672   4.884
   98    HA   ARG  11           HA       ARG  11   6.524   0.412   5.569
   99   1HB   ARG  11          2HB       ARG  11   5.118   1.034   3.604
  100   2HB   ARG  11          1HB       ARG  11   3.752   1.177   4.698
  101   1HG   ARG  11          2HG       ARG  11   4.345   3.330   4.807
  102   2HG   ARG  11          1HG       ARG  11   5.577   2.757   5.934
  103   1HD   ARG  11          2HD       ARG  11   6.061   2.853   2.976
  104   2HD   ARG  11          1HD       ARG  11   6.325   4.261   4.001
  105    HE   ARG  11           HE       ARG  11   7.822   1.728   4.128
  106   1HH1  ARG  11          1HH1      ARG  11   7.418   5.069   5.046
  107   2HH1  ARG  11          2HH1      ARG  11   9.028   5.228   5.665
  108   1HH2  ARG  11          1HH2      ARG  11   9.948   1.935   4.930
  109   2HH2  ARG  11          2HH2      ARG  11  10.465   3.446   5.602
  110   1H    LYS  12          1HT       LYS  12  16.001   4.933  -1.128
  111   2H    LYS  12          2HT       LYS  12  16.215   3.403  -1.816
  112   3H    LYS  12          3HT       LYS  12  17.307   3.966  -0.654
  113    HA   LYS  12           HA       LYS  12  15.029   2.463  -0.262
  114   1HB   LYS  12          2HB       LYS  12  17.171   2.361   0.963
  115   2HB   LYS  12          1HB       LYS  12  16.749   3.871   1.766
  116   1HG   LYS  12          2HG       LYS  12  14.533   2.252   2.167
  117   2HG   LYS  12          1HG       LYS  12  15.918   1.167   2.365
  118   1HD   LYS  12          2HD       LYS  12  16.635   2.214   4.224
  119   2HD   LYS  12          1HD       LYS  12  16.140   3.807   3.663
  120   1HE   LYS  12          2HE       LYS  12  14.033   1.825   4.346
  121   2HE   LYS  12          1HE       LYS  12  14.917   2.585   5.667
  122   1HZ   LYS  12          1HZ       LYS  12  12.787   3.694   4.838
  123   2HZ   LYS  12          2HZ       LYS  12  13.711   4.209   3.519
  124   3HZ   LYS  12          3HZ       LYS  12  14.141   4.677   5.086
  125    H    LEU  13           H        LEU  13  14.976   5.738  -0.590
  126    HA   LEU  13           HA       LEU  13  12.842   5.983   1.384
  127   1HB   LEU  13          2HB       LEU  13  14.098   8.193  -0.243
  128   2HB   LEU  13          1HB       LEU  13  13.049   8.371   1.150
  129    HG   LEU  13           HG       LEU  13  15.077   8.763   2.137
  130   1HD1  LEU  13          1HD1      LEU  13  14.909   5.738   2.234
  131   2HD1  LEU  13          2HD1      LEU  13  14.125   6.883   3.333
  132   3HD1  LEU  13          3HD1      LEU  13  15.882   6.753   3.308
  133   1HD2  LEU  13          1HD2      LEU  13  17.184   7.688   1.481
  134   2HD2  LEU  13          2HD2      LEU  13  16.403   8.503   0.126
  135   3HD2  LEU  13          3HD2      LEU  13  16.315   6.748   0.267
  136    H    LEU  14           H        LEU  14  13.009   4.777  -1.452
  137    HA   LEU  14           HA       LEU  14  11.029   6.206  -2.966
  138   1HB   LEU  14          2HB       LEU  14  11.024   4.093  -4.346
  139   2HB   LEU  14          1HB       LEU  14  12.576   4.900  -4.219
  140    HG   LEU  14           HG       LEU  14  12.153   2.813  -2.184
  141   1HD1  LEU  14          1HD1      LEU  14  12.705   1.032  -3.923
  142   2HD1  LEU  14          2HD1      LEU  14  12.099   2.178  -5.120
  143   3HD1  LEU  14          3HD1      LEU  14  11.033   1.591  -3.843
  144   1HD2  LEU  14          1HD2      LEU  14  14.392   2.655  -2.320
  145   2HD2  LEU  14          2HD2      LEU  14  14.266   4.202  -3.157
  146   3HD2  LEU  14          3HD2      LEU  14  14.396   2.706  -4.082
  147    H    ILE  15           H        ILE  15  11.089   4.153  -0.342
  148    HA   ILE  15           HA       ILE  15   8.545   2.862  -0.703
  149    HB   ILE  15           HB       ILE  15  10.252   3.089   1.783
  150   1HG1  ILE  15          2HG1      ILE  15  11.543   2.159  -0.064
  151   2HG1  ILE  15          1HG1      ILE  15  11.191   0.921   1.140
  152   1HG2  ILE  15          1HG2      ILE  15   8.615   0.693   1.298
  153   2HG2  ILE  15          2HG2      ILE  15   7.708   2.173   1.625
  154   3HG2  ILE  15          3HG2      ILE  15   8.897   1.591   2.790
  155   1HD1  ILE  15          1HD1      ILE  15   9.601  -0.111  -0.228
  156   2HD1  ILE  15          2HD1      ILE  15  10.958   0.273  -1.292
  157   3HD1  ILE  15          3HD1      ILE  15   9.510   1.280  -1.312
  158    H    THR  16           H        THR  16   9.326   5.965  -0.105
  159    HA   THR  16           HA       THR  16   7.499   6.531   2.051
  160    HB   THR  16           HB       THR  16   9.236   8.206   0.262
  161    HG1  THR  16           1HG      THR  16   9.467   8.694   2.861
  162   1HG2  THR  16          1HG2      THR  16   7.731   9.867   0.449
  163   2HG2  THR  16          2HG2      THR  16   8.437  10.022   2.058
  164   3HG2  THR  16          3HG2      THR  16   6.929   9.135   1.837
  165    H    ILE  17           H        ILE  17   7.474   6.848  -1.480
  166    HA   ILE  17           HA       ILE  17   4.641   7.639  -1.274
  167    HB   ILE  17           HB       ILE  17   6.565   9.199  -2.340
  168   1HG1  ILE  17          2HG1      ILE  17   4.205   9.797  -1.867
  169   2HG1  ILE  17          1HG1      ILE  17   4.785  10.466  -3.388
  170   1HG2  ILE  17          1HG2      ILE  17   5.505   7.543  -4.616
  171   2HG2  ILE  17          2HG2      ILE  17   7.189   7.790  -4.143
  172   3HG2  ILE  17          3HG2      ILE  17   6.258   9.126  -4.827
  173   1HD1  ILE  17          1HD1      ILE  17   3.423   7.859  -3.558
  174   2HD1  ILE  17          2HD1      ILE  17   3.335   9.264  -4.620
  175   3HD1  ILE  17          3HD1      ILE  17   2.425   9.242  -3.109
  176    H    HIS  18           H        HIS  18   6.991   5.731  -3.120
  177    HA   HIS  18           HA       HIS  18   5.145   4.689  -4.981
  178   1HB   HIS  18          2HB       HIS  18   7.031   3.924  -5.889
  179   2HB   HIS  18          1HB       HIS  18   7.918   4.459  -4.470
  180    HD1  HIS  18           1HD      HIS  18   7.736   2.517  -2.416
  181    HD2  HIS  18           2HD      HIS  18   7.397   1.310  -6.377
  182    HE1  HIS  18           1HE      HIS  18   8.256   0.059  -2.416
  183    HE2  HIS  18           2HE      HIS  18   7.989  -0.663  -4.813
  184    H    ASP  19           H        ASP  19   5.586   4.073  -1.684
  185    HA   ASP  19           HA       ASP  19   4.624   1.360  -1.670
  186   1HB   ASP  19          2HB       ASP  19   6.124   2.538   0.077
  187   2HB   ASP  19          1HB       ASP  19   4.623   3.210   0.702
  188    H    ARG  20           H        ARG  20   3.254   4.514  -1.663
  189    HA   ARG  20           HA       ARG  20   0.738   3.860  -0.504
  190   1HB   ARG  20          2HB       ARG  20   2.011   6.175  -1.713
  191   2HB   ARG  20          1HB       ARG  20   0.305   6.062  -2.119
  192   1HG   ARG  20          2HG       ARG  20   0.032   7.186  -0.199
  193   2HG   ARG  20          1HG       ARG  20   0.213   5.592   0.538
  194   1HD   ARG  20          2HD       ARG  20   2.455   5.982   1.096
  195   2HD   ARG  20          1HD       ARG  20   2.583   7.348  -0.011
  196    HE   ARG  20           HE       ARG  20   0.888   8.405   1.617
  197   1HH1  ARG  20          1HH1      ARG  20   3.445   6.210   2.505
  198   2HH1  ARG  20          2HH1      ARG  20   3.621   6.857   4.101
  199   1HH2  ARG  20          1HH2      ARG  20   1.115   9.265   3.717
  200   2HH2  ARG  20          2HH2      ARG  20   2.298   8.593   4.791
  201    H    LYS  21           H        LYS  21   2.128   3.031  -3.404
  202    HA   LYS  21           HA       LYS  21  -0.498   2.653  -4.691
  203   1HB   LYS  21          2HB       LYS  21   1.581   2.492  -6.620
  204   2HB   LYS  21          1HB       LYS  21   0.303   3.697  -6.492
  205   1HG   LYS  21          2HG       LYS  21   1.642   5.197  -5.388
  206   2HG   LYS  21          1HG       LYS  21   2.733   3.950  -4.779
  207   1HD   LYS  21          2HD       LYS  21   3.992   5.012  -6.429
  208   2HD   LYS  21          1HD       LYS  21   3.355   3.589  -7.252
  209   1HE   LYS  21          2HE       LYS  21   3.197   5.655  -8.608
  210   2HE   LYS  21          1HE       LYS  21   1.635   4.898  -8.304
  211   1HZ   LYS  21          1HZ       LYS  21   2.382   6.863  -6.337
  212   2HZ   LYS  21          2HZ       LYS  21   0.922   6.666  -7.168
  213   3HZ   LYS  21          3HZ       LYS  21   2.202   7.501  -7.893
  214    H    GLU  22           H        GLU  22   2.529   1.224  -3.769
  215    HA   GLU  22           HA       GLU  22   2.428  -1.108  -5.318
  216   1HB   GLU  22          2HB       GLU  22   3.855  -0.199  -2.879
  217   2HB   GLU  22          1HB       GLU  22   3.828  -1.920  -3.207
  218   1HG   GLU  22          2HG       GLU  22   4.541  -0.141  -5.453
  219   2HG   GLU  22          1HG       GLU  22   5.714  -0.296  -4.142
  220    H    PHE  23           H        PHE  23   0.224  -0.129  -3.102
  221    HA   PHE  23           HA       PHE  23  -0.401  -2.882  -2.273
  222   1HB   PHE  23          2HB       PHE  23   0.055  -1.416  -0.369
  223   2HB   PHE  23          1HB       PHE  23  -1.157  -0.274  -0.940
  224    HD1  PHE  23           1HD      PHE  23  -0.915  -3.911  -0.117
  225    HD2  PHE  23           2HD      PHE  23  -3.186  -0.319   0.109
  226    HE1  PHE  23           1HE      PHE  23  -2.634  -5.085   1.196
  227    HE2  PHE  23           2HE      PHE  23  -4.909  -1.485   1.423
  228    HZ   PHE  23           HZ       PHE  23  -4.633  -3.872   1.966
  229    H    ALA  24           H        ALA  24  -1.898   0.195  -3.270
  230    HA   ALA  24           HA       ALA  24  -4.408  -1.165  -3.804
  231   1HB   ALA  24          1HB       ALA  24  -4.779   0.976  -2.971
  232   2HB   ALA  24          2HB       ALA  24  -5.002   1.196  -4.707
  233   3HB   ALA  24          3HB       ALA  24  -3.489   1.689  -3.942
  234    H    LYS  25           H        LYS  25  -2.570  -2.372  -5.218
  235    HA   LYS  25           HA       LYS  25  -2.364  -1.350  -7.902
  236   1HB   LYS  25          2HB       LYS  25  -1.482  -3.741  -8.274
  237   2HB   LYS  25          1HB       LYS  25  -0.556  -2.716  -7.182
  238   1HG   LYS  25          2HG       LYS  25  -2.262  -3.884  -5.427
  239   2HG   LYS  25          1HG       LYS  25  -2.094  -5.167  -6.634
  240   1HD   LYS  25          2HD       LYS  25   0.111  -3.827  -5.075
  241   2HD   LYS  25          1HD       LYS  25  -0.452  -5.493  -4.919
  242   1HE   LYS  25          2HE       LYS  25   0.217  -5.775  -7.360
  243   2HE   LYS  25          1HE       LYS  25   1.065  -4.238  -7.194
  244   1HZ   LYS  25          1HZ       LYS  25   2.351  -6.402  -6.785
  245   2HZ   LYS  25          2HZ       LYS  25   1.560  -6.436  -5.291
  246   3HZ   LYS  25          3HZ       LYS  25   2.558  -5.130  -5.688
  247    H    PHE  26           H        PHE  26  -3.786  -4.181  -6.411
  248    HA   PHE  26           HA       PHE  26  -6.005  -4.198  -8.324
  249   1HB   PHE  26          2HB       PHE  26  -5.120  -6.164  -8.967
  250   2HB   PHE  26          1HB       PHE  26  -3.966  -6.103  -7.650
  251    HD1  PHE  26           1HD      PHE  26  -4.222  -7.383  -5.707
  252    HD2  PHE  26           2HD      PHE  26  -7.308  -7.306  -8.634
  253    HE1  PHE  26           1HE      PHE  26  -5.279  -9.314  -4.626
  254    HE2  PHE  26           2HE      PHE  26  -8.383  -9.239  -7.554
  255    HZ   PHE  26           HZ       PHE  26  -7.370 -10.248  -5.548
  256    H    GLU  27           H        GLU  27  -4.950  -3.843  -5.233
  257    HA   GLU  27           HA       GLU  27  -6.747  -5.147  -3.590
  258   1HB   GLU  27          2HB       GLU  27  -4.933  -2.835  -3.413
  259   2HB   GLU  27          1HB       GLU  27  -6.220  -2.855  -2.230
  260   1HG   GLU  27          2HG       GLU  27  -4.055  -4.875  -2.659
  261   2HG   GLU  27          1HG       GLU  27  -4.398  -3.919  -1.213
  262    H    GLU  28           H        GLU  28  -7.108  -2.088  -5.325
  263    HA   GLU  28           HA       GLU  28  -9.502  -1.277  -4.033
  264   1HB   GLU  28          2HB       GLU  28  -9.786   0.206  -6.029
  265   2HB   GLU  28          1HB       GLU  28  -8.222   0.359  -5.238
  266   1HG   GLU  28          2HG       GLU  28  -7.593  -1.483  -7.066
  267   2HG   GLU  28          1HG       GLU  28  -8.906  -0.670  -7.918
  268    H    GLU  29           H        GLU  29  -8.831  -3.759  -6.203
  269    HA   GLU  29           HA       GLU  29 -11.645  -3.952  -7.047
  270   1HB   GLU  29          2HB       GLU  29  -9.449  -5.569  -8.291
  271   2HB   GLU  29          1HB       GLU  29 -10.975  -5.042  -8.991
  272   1HG   GLU  29          2HG       GLU  29  -9.054  -2.930  -8.236
  273   2HG   GLU  29          1HG       GLU  29  -8.625  -3.947  -9.611
  274    H    ARG  30           H        ARG  30  -9.312  -5.232  -5.000
  275    HA   ARG  30           HA       ARG  30 -10.430  -7.918  -4.911
  276   1HB   ARG  30          2HB       ARG  30  -8.186  -8.149  -4.587
  277   2HB   ARG  30          1HB       ARG  30  -8.014  -6.561  -3.861
  278   1HG   ARG  30          2HG       ARG  30  -7.678  -7.709  -1.973
  279   2HG   ARG  30          1HG       ARG  30  -9.433  -7.870  -1.951
  280   1HD   ARG  30          2HD       ARG  30  -9.210 -10.003  -3.187
  281   2HD   ARG  30          1HD       ARG  30  -7.457  -9.849  -3.073
  282    HE   ARG  30           HE       ARG  30  -9.297 -10.343  -0.839
  283   1HH1  ARG  30          1HH1      ARG  30  -6.062 -10.171  -2.123
  284   2HH1  ARG  30          2HH1      ARG  30  -5.335 -10.920  -0.740
  285   1HH2  ARG  30          1HH2      ARG  30  -8.349 -11.327   0.985
  286   2HH2  ARG  30          2HH2      ARG  30  -6.636 -11.576   1.027
  287    H    ALA  31           H        ALA  31  -9.931  -5.219  -2.654
  288    HA   ALA  31           HA       ALA  31 -11.653  -6.357  -0.667
  289   1HB   ALA  31          1HB       ALA  31 -10.073  -3.844  -0.928
  290   2HB   ALA  31          2HB       ALA  31 -10.011  -5.088   0.320
  291   3HB   ALA  31          3HB       ALA  31 -11.346  -3.936   0.289
  292    H    ARG  32           H        ARG  32 -12.412  -5.229  -3.540
  293    HA   ARG  32           HA       ARG  32 -14.729  -3.636  -2.682
  294   1HB   ARG  32          2HB       ARG  32 -12.930  -3.252  -4.763
  295   2HB   ARG  32          1HB       ARG  32 -14.350  -3.913  -5.559
  296   1HG   ARG  32          2HG       ARG  32 -14.295  -1.434  -5.467
  297   2HG   ARG  32          1HG       ARG  32 -15.727  -2.147  -4.724
  298   1HD   ARG  32          2HD       ARG  32 -14.048  -2.023  -2.601
  299   2HD   ARG  32          1HD       ARG  32 -13.534  -0.603  -3.516
  300    HE   ARG  32           HE       ARG  32 -16.390  -0.863  -3.108
  301   1HH1  ARG  32          1HH1      ARG  32 -13.387   0.499  -1.983
  302   2HH1  ARG  32          2HH1      ARG  32 -14.152   1.749  -1.060
  303   1HH2  ARG  32          1HH2      ARG  32 -17.404   0.777  -1.894
  304   2HH2  ARG  32          2HH2      ARG  32 -16.434   1.907  -1.008
  305    H    ALA  33           H        ALA  33 -14.022  -6.057  -5.189
  306    HA   ALA  33           HA       ALA  33 -16.578  -6.864  -5.723
  307   1HB   ALA  33          1HB       ALA  33 -13.952  -7.834  -6.213
  308   2HB   ALA  33          2HB       ALA  33 -15.435  -8.145  -7.118
  309   3HB   ALA  33          3HB       ALA  33 -14.984  -9.197  -5.776
  310    H    LYS  34           H        LYS  34 -14.756  -7.481  -2.843
  311    HA   LYS  34           HA       LYS  34 -15.981  -9.798  -1.893
  312   1HB   LYS  34          2HB       LYS  34 -15.582  -8.728   0.411
  313   2HB   LYS  34          1HB       LYS  34 -14.175  -9.029  -0.599
  314   1HG   LYS  34          2HG       LYS  34 -14.028  -6.715  -1.183
  315   2HG   LYS  34          1HG       LYS  34 -15.581  -6.378  -0.421
  316   1HD   LYS  34          2HD       LYS  34 -13.556  -5.705   0.911
  317   2HD   LYS  34          1HD       LYS  34 -14.703  -6.750   1.753
  318   1HE   LYS  34          2HE       LYS  34 -12.524  -8.106   0.289
  319   2HE   LYS  34          1HE       LYS  34 -12.044  -7.175   1.707
  320   1HZ   LYS  34          1HZ       LYS  34 -14.283  -9.090   1.859
  321   2HZ   LYS  34          2HZ       LYS  34 -13.301  -8.505   3.105
  322   3HZ   LYS  34          3HZ       LYS  34 -12.684  -9.628   2.001
  323    H    TRP  35           H        TRP  35 -16.832  -6.433  -1.214
  324    HA   TRP  35           HA       TRP  35 -19.486  -7.250  -0.336
  325   1HB   TRP  35          2HB       TRP  35 -19.669  -4.828   0.308
  326   2HB   TRP  35          1HB       TRP  35 -18.404  -5.709   1.148
  327    HD1  TRP  35           HD       TRP  35 -18.384  -3.899  -2.280
  328    HE1  TRP  35           1HE      TRP  35 -16.458  -2.247  -2.268
  329    HE3  TRP  35           3HE      TRP  35 -16.662  -4.685   2.461
  330    HZ2  TRP  35           2HZ      TRP  35 -14.421  -1.359  -0.506
  331    HZ3  TRP  35           3HZ      TRP  35 -14.709  -3.408   3.227
  332    HH2  TRP  35           HH       TRP  35 -13.613  -1.775   1.779
  333    H    ASP  36           H        ASP  36 -17.961  -6.496  -3.101
  334    HA   ASP  36           HA       ASP  36 -20.343  -5.249  -4.308
  335   1HB   ASP  36          2HB       ASP  36 -17.540  -4.547  -4.430
  336   2HB   ASP  36          1HB       ASP  36 -18.151  -4.909  -6.047
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1  14.788  -5.789  -2.100
    2   2H    MET   1          2HT       MET   1  15.770  -5.763  -3.477
    3   3H    MET   1          3HT       MET   1  14.447  -4.714  -3.363
    4    HA   MET   1           HA       MET   1  16.974  -4.047  -2.773
    5   1HB   MET   1          2HB       MET   1  14.448  -2.912  -1.565
    6   2HB   MET   1          1HB       MET   1  15.975  -2.061  -1.748
    7   1HG   MET   1          2HG       MET   1  14.308  -3.119  -4.020
    8   2HG   MET   1          1HG       MET   1  14.306  -1.450  -3.449
    9   1HE   MET   1          1HE       MET   1  16.990  -0.944  -2.599
   10   2HE   MET   1          2HE       MET   1  16.822   0.232  -3.902
   11   3HE   MET   1          3HE       MET   1  18.234  -0.824  -3.842
   12    H    TRP   2           H        TRP   2  15.232  -3.202   0.005
   13    HA   TRP   2           HA       TRP   2  16.975  -4.881   1.660
   14   1HB   TRP   2          2HB       TRP   2  15.837  -2.622   3.016
   15   2HB   TRP   2          1HB       TRP   2  17.536  -3.001   2.752
   16    HD1  TRP   2           HD       TRP   2  18.774  -1.465   1.055
   17    HE1  TRP   2           1HE      TRP   2  18.057   0.476  -0.483
   18    HE3  TRP   2           3HE      TRP   2  13.736  -1.899   1.517
   19    HZ2  TRP   2           2HZ      TRP   2  15.609   1.649  -1.326
   20    HZ3  TRP   2           3HZ      TRP   2  12.292  -0.331   0.347
   21    HH2  TRP   2           HH       TRP   2  13.216   1.410  -1.066
   22    H    LYS   3           H        LYS   3  14.279  -2.964   2.874
   23    HA   LYS   3           HA       LYS   3  13.064  -5.396   3.923
   24   1HB   LYS   3          2HB       LYS   3  11.802  -4.054   5.346
   25   2HB   LYS   3          1HB       LYS   3  13.378  -3.295   5.349
   26   1HG   LYS   3          2HG       LYS   3  10.790  -2.377   4.151
   27   2HG   LYS   3          1HG       LYS   3  11.807  -1.564   5.332
   28   1HD   LYS   3          2HD       LYS   3  13.348  -0.895   3.704
   29   2HD   LYS   3          1HD       LYS   3  12.766  -2.094   2.550
   30   1HE   LYS   3          2HE       LYS   3  11.051   0.175   3.523
   31   2HE   LYS   3          1HE       LYS   3  12.109   0.315   2.118
   32   1HZ   LYS   3          1HZ       LYS   3  10.480  -2.026   2.023
   33   2HZ   LYS   3          2HZ       LYS   3  10.693  -0.812   0.866
   34   3HZ   LYS   3          3HZ       LYS   3   9.554  -0.612   2.101
   35    H    VAL   4           H        VAL   4  12.832  -3.281   1.389
   36    HA   VAL   4           HA       VAL   4  10.272  -2.947   0.750
   37    HB   VAL   4           HB       VAL   4  12.449  -2.324  -0.521
   38   1HG1  VAL   4          1HG1      VAL   4  11.723  -4.986  -1.708
   39   2HG1  VAL   4          2HG1      VAL   4  13.306  -4.395  -1.192
   40   3HG1  VAL   4          3HG1      VAL   4  12.562  -3.757  -2.659
   41   1HG2  VAL   4          1HG2      VAL   4   9.841  -2.017  -1.075
   42   2HG2  VAL   4          2HG2      VAL   4  10.355  -2.931  -2.493
   43   3HG2  VAL   4          3HG2      VAL   4  11.141  -1.403  -2.094
   44    H    GLY   5           H        GLY   5  12.183  -5.872   0.166
   45   1HA   GLY   5          2HA       GLY   5  10.605  -7.313  -1.452
   46   2HA   GLY   5          1HA       GLY   5  11.449  -8.056  -0.100
   47    H    PHE   6           H        PHE   6   9.985  -6.802   1.972
   48    HA   PHE   6           HA       PHE   6   7.333  -7.921   1.472
   49   1HB   PHE   6          2HB       PHE   6   7.359  -8.397   4.021
   50   2HB   PHE   6          1HB       PHE   6   8.250  -9.478   2.953
   51    HD1  PHE   6           1HD      PHE   6   8.588  -6.676   5.331
   52    HD2  PHE   6           2HD      PHE   6  10.590  -9.721   3.135
   53    HE1  PHE   6           1HE      PHE   6  10.631  -6.267   6.639
   54    HE2  PHE   6           2HE      PHE   6  12.638  -9.319   4.438
   55    HZ   PHE   6           HZ       PHE   6  12.661  -7.591   6.193
   56    H    PHE   7           H        PHE   7   8.753  -5.117   1.681
   57    HA   PHE   7           HA       PHE   7   6.865  -3.930   3.579
   58   1HB   PHE   7          2HB       PHE   7   9.519  -3.529   3.316
   59   2HB   PHE   7          1HB       PHE   7   8.893  -2.226   2.312
   60    HD1  PHE   7           1HD      PHE   7   9.211  -0.286   3.497
   61    HD2  PHE   7           2HD      PHE   7   7.532  -3.655   5.475
   62    HE1  PHE   7           1HE      PHE   7   8.802   1.099   5.480
   63    HE2  PHE   7           2HE      PHE   7   7.108  -2.276   7.469
   64    HZ   PHE   7           HZ       PHE   7   7.743   0.105   7.477
   65    H    LYS   8           H        LYS   8   7.931  -3.609   0.214
   66    HA   LYS   8           HA       LYS   8   6.311  -1.409  -0.373
   67   1HB   LYS   8          2HB       LYS   8   6.510  -2.220  -2.777
   68   2HB   LYS   8          1HB       LYS   8   7.987  -1.841  -1.904
   69   1HG   LYS   8          2HG       LYS   8   7.787  -3.978  -3.417
   70   2HG   LYS   8          1HG       LYS   8   8.735  -3.960  -1.939
   71   1HD   LYS   8          2HD       LYS   8   7.564  -5.958  -1.808
   72   2HD   LYS   8          1HD       LYS   8   6.613  -4.861  -0.806
   73   1HE   LYS   8          2HE       LYS   8   5.716  -6.405  -2.952
   74   2HE   LYS   8          1HE       LYS   8   4.831  -5.159  -2.072
   75   1HZ   LYS   8          1HZ       LYS   8   6.559  -4.633  -4.431
   76   2HZ   LYS   8          2HZ       LYS   8   5.550  -3.526  -3.646
   77   3HZ   LYS   8          3HZ       LYS   8   4.879  -4.819  -4.505
   78    H    ARG   9           H        ARG   9   5.424  -4.463   0.497
   79    HA   ARG   9           HA       ARG   9   2.787  -4.232  -0.783
   80   1HB   ARG   9          2HB       ARG   9   3.397  -6.347  -1.421
   81   2HB   ARG   9          1HB       ARG   9   4.516  -6.541  -0.083
   82   1HG   ARG   9          2HG       ARG   9   2.055  -6.539   1.152
   83   2HG   ARG   9          1HG       ARG   9   1.761  -7.411  -0.353
   84   1HD   ARG   9          2HD       ARG   9   4.247  -8.162   0.991
   85   2HD   ARG   9          1HD       ARG   9   2.797  -8.496   1.937
   86    HE   ARG   9           HE       ARG   9   3.030  -9.445  -0.836
   87   1HH1  ARG   9          1HH1      ARG   9   2.592 -10.057   2.565
   88   2HH1  ARG   9          2HH1      ARG   9   2.180 -11.725   2.343
   89   1HH2  ARG   9          1HH2      ARG   9   2.487 -11.642  -1.138
   90   2HH2  ARG   9          2HH2      ARG   9   2.121 -12.626   0.239
   91    H    ASN  10           H        ASN  10   4.607  -4.162   2.074
   92    HA   ASN  10           HA       ASN  10   2.305  -4.463   3.844
   93   1HB   ASN  10          2HB       ASN  10   4.203  -5.674   4.589
   94   2HB   ASN  10          1HB       ASN  10   5.282  -4.312   4.278
   95   1HD2  ASN  10          1HD2      ASN  10   2.197  -4.627   6.009
   96   2HD2  ASN  10          2HD2      ASN  10   2.770  -3.974   7.501
   97    H    ARG  11           H        ARG  11   5.109  -2.332   4.139
   98    HA   ARG  11           HA       ARG  11   5.331  -0.127   4.607
   99   1HB   ARG  11          2HB       ARG  11   4.310   0.267   2.456
  100   2HB   ARG  11          1HB       ARG  11   2.710   0.050   3.144
  101   1HG   ARG  11          2HG       ARG  11   2.651   2.261   3.357
  102   2HG   ARG  11          1HG       ARG  11   3.785   2.054   4.693
  103   1HD   ARG  11          2HD       ARG  11   4.633   2.384   1.823
  104   2HD   ARG  11          1HD       ARG  11   4.458   3.733   2.943
  105    HE   ARG  11           HE       ARG  11   6.438   1.565   3.172
  106   1HH1  ARG  11          1HH1      ARG  11   5.287   4.745   4.013
  107   2HH1  ARG  11          2HH1      ARG  11   6.744   5.196   4.834
  108   1HH2  ARG  11          1HH2      ARG  11   8.363   2.153   4.244
  109   2HH2  ARG  11          2HH2      ARG  11   8.492   3.723   4.965
  110   1H    LYS  12          1HT       LYS  12  16.282   3.790  -1.139
  111   2H    LYS  12          2HT       LYS  12  17.035   4.470   0.214
  112   3H    LYS  12          3HT       LYS  12  15.750   5.277  -0.532
  113    HA   LYS  12           HA       LYS  12  14.806   2.777   0.084
  114   1HB   LYS  12          2HB       LYS  12  16.778   2.633   1.595
  115   2HB   LYS  12          1HB       LYS  12  16.127   4.007   2.488
  116   1HG   LYS  12          2HG       LYS  12  13.972   2.347   2.387
  117   2HG   LYS  12          1HG       LYS  12  15.313   1.198   2.507
  118   1HD   LYS  12          2HD       LYS  12  15.158   1.565   4.697
  119   2HD   LYS  12          1HD       LYS  12  15.994   3.082   4.365
  120   1HE   LYS  12          2HE       LYS  12  13.496   3.861   3.857
  121   2HE   LYS  12          1HE       LYS  12  13.142   2.565   4.998
  122   1HZ   LYS  12          1HZ       LYS  12  14.866   3.694   6.471
  123   2HZ   LYS  12          2HZ       LYS  12  13.364   4.456   6.310
  124   3HZ   LYS  12          3HZ       LYS  12  14.700   5.034   5.450
  125    H    LEU  13           H        LEU  13  14.715   6.085   0.102
  126    HA   LEU  13           HA       LEU  13  12.314   6.060   1.756
  127   1HB   LEU  13          2HB       LEU  13  14.113   8.250   0.776
  128   2HB   LEU  13          1HB       LEU  13  12.486   8.621   1.320
  129    HG   LEU  13           HG       LEU  13  12.946   8.079   3.529
  130   1HD1  LEU  13          1HD1      LEU  13  13.974   5.807   2.865
  131   2HD1  LEU  13          2HD1      LEU  13  14.565   6.591   4.338
  132   3HD1  LEU  13          3HD1      LEU  13  15.516   6.676   2.858
  133   1HD2  LEU  13          1HD2      LEU  13  15.643   8.828   3.529
  134   2HD2  LEU  13          2HD2      LEU  13  14.236   9.867   3.749
  135   3HD2  LEU  13          3HD2      LEU  13  14.916   9.635   2.139
  136    H    LEU  14           H        LEU  14  12.768   5.010  -1.002
  137    HA   LEU  14           HA       LEU  14  10.973   6.557  -2.671
  138   1HB   LEU  14          2HB       LEU  14  11.325   4.724  -4.290
  139   2HB   LEU  14          1HB       LEU  14  12.834   5.424  -3.737
  140    HG   LEU  14           HG       LEU  14  12.296   3.240  -2.011
  141   1HD1  LEU  14          1HD1      LEU  14  12.282   1.414  -3.744
  142   2HD1  LEU  14          2HD1      LEU  14  11.792   2.635  -4.917
  143   3HD1  LEU  14          3HD1      LEU  14  10.759   2.277  -3.532
  144   1HD2  LEU  14          1HD2      LEU  14  14.498   3.313  -2.315
  145   2HD2  LEU  14          2HD2      LEU  14  14.337   4.202  -3.829
  146   3HD2  LEU  14          3HD2      LEU  14  14.234   2.442  -3.826
  147    H    ILE  15           H        ILE  15  10.835   4.322  -0.236
  148    HA   ILE  15           HA       ILE  15   8.444   2.932  -1.058
  149    HB   ILE  15           HB       ILE  15  10.016   2.904   1.529
  150   1HG1  ILE  15          2HG1      ILE  15  11.198   2.085  -0.489
  151   2HG1  ILE  15          1HG1      ILE  15  10.948   0.836   0.726
  152   1HG2  ILE  15          1HG2      ILE  15   8.282   0.617   0.866
  153   2HG2  ILE  15          2HG2      ILE  15   7.431   2.099   1.301
  154   3HG2  ILE  15          3HG2      ILE  15   8.593   1.392   2.421
  155   1HD1  ILE  15          1HD1      ILE  15   9.223  -0.167  -0.531
  156   2HD1  ILE  15          2HD1      ILE  15  10.554   0.152  -1.649
  157   3HD1  ILE  15          3HD1      ILE  15   9.142   1.206  -1.637
  158    H    THR  16           H        THR  16   8.849   5.981  -0.241
  159    HA   THR  16           HA       THR  16   6.744   6.189   1.763
  160    HB   THR  16           HB       THR  16   8.873   7.611   1.757
  161    HG1  THR  16           1HG      THR  16   7.352   8.303   3.121
  162   1HG2  THR  16          1HG2      THR  16   7.925   9.822   0.366
  163   2HG2  THR  16          2HG2      THR  16   7.763   8.469  -0.753
  164   3HG2  THR  16          3HG2      THR  16   9.330   8.833  -0.028
  165    H    ILE  17           H        ILE  17   7.251   6.680  -1.663
  166    HA   ILE  17           HA       ILE  17   4.430   7.497  -1.891
  167    HB   ILE  17           HB       ILE  17   6.401   9.123  -2.600
  168   1HG1  ILE  17          2HG1      ILE  17   3.912   9.474  -2.748
  169   2HG1  ILE  17          1HG1      ILE  17   4.850  10.292  -3.991
  170   1HG2  ILE  17          1HG2      ILE  17   6.146   7.229  -4.898
  171   2HG2  ILE  17          2HG2      ILE  17   7.597   7.927  -4.175
  172   3HG2  ILE  17          3HG2      ILE  17   6.546   8.925  -5.178
  173   1HD1  ILE  17          1HD1      ILE  17   3.262   7.757  -4.309
  174   2HD1  ILE  17          2HD1      ILE  17   4.282   8.470  -5.557
  175   3HD1  ILE  17          3HD1      ILE  17   2.873   9.347  -4.962
  176    H    HIS  18           H        HIS  18   7.053   5.635  -3.397
  177    HA   HIS  18           HA       HIS  18   5.495   4.559  -5.487
  178   1HB   HIS  18          2HB       HIS  18   7.557   3.941  -6.084
  179   2HB   HIS  18          1HB       HIS  18   8.171   4.226  -4.463
  180    HD1  HIS  18           1HD      HIS  18   7.589   2.079  -2.765
  181    HD2  HIS  18           2HD      HIS  18   7.777   1.370  -6.852
  182    HE1  HIS  18           1HE      HIS  18   7.968  -0.395  -3.001
  183    HE2  HIS  18           2HE      HIS  18   7.960  -0.816  -5.484
  184    H    ASP  19           H        ASP  19   5.914   3.678  -2.143
  185    HA   ASP  19           HA       ASP  19   4.705   1.100  -2.355
  186   1HB   ASP  19          2HB       ASP  19   6.226   2.099  -0.470
  187   2HB   ASP  19          1HB       ASP  19   4.700   2.680   0.188
  188    H    ARG  20           H        ARG  20   3.575   4.333  -2.160
  189    HA   ARG  20           HA       ARG  20   0.998   3.850  -1.092
  190   1HB   ARG  20          2HB       ARG  20   2.473   6.078  -2.121
  191   2HB   ARG  20          1HB       ARG  20   0.882   6.055  -2.867
  192   1HG   ARG  20          2HG       ARG  20   0.715   7.406  -0.936
  193   2HG   ARG  20          1HG       ARG  20  -0.092   5.883  -0.560
  194   1HD   ARG  20          2HD       ARG  20   2.756   5.896   0.098
  195   2HD   ARG  20          1HD       ARG  20   1.821   7.106   0.980
  196    HE   ARG  20           HE       ARG  20   1.209   4.220   0.994
  197   1HH1  ARG  20          1HH1      ARG  20   1.328   7.337   2.546
  198   2HH1  ARG  20          2HH1      ARG  20   0.720   6.750   4.058
  199   1HH2  ARG  20          1HH2      ARG  20   0.405   3.439   2.980
  200   2HH2  ARG  20          2HH2      ARG  20   0.196   4.535   4.304
  201    H    LYS  21           H        LYS  21   2.441   3.034  -3.989
  202    HA   LYS  21           HA       LYS  21  -0.150   2.717  -5.344
  203   1HB   LYS  21          2HB       LYS  21   2.046   2.311  -7.132
  204   2HB   LYS  21          1HB       LYS  21   0.791   3.540  -7.195
  205   1HG   LYS  21          2HG       LYS  21   2.076   5.100  -6.072
  206   2HG   LYS  21          1HG       LYS  21   3.144   3.875  -5.381
  207   1HD   LYS  21          2HD       LYS  21   4.506   4.707  -7.023
  208   2HD   LYS  21          1HD       LYS  21   3.697   3.422  -7.922
  209   1HE   LYS  21          2HE       LYS  21   3.379   5.119  -9.399
  210   2HE   LYS  21          1HE       LYS  21   1.961   5.383  -8.386
  211   1HZ   LYS  21          1HZ       LYS  21   4.264   7.047  -8.770
  212   2HZ   LYS  21          2HZ       LYS  21   3.913   6.797  -7.134
  213   3HZ   LYS  21          3HZ       LYS  21   2.735   7.443  -8.162
  214    H    GLU  22           H        GLU  22   2.862   1.172  -4.427
  215    HA   GLU  22           HA       GLU  22   2.424  -1.309  -5.692
  216   1HB   GLU  22          2HB       GLU  22   4.168  -0.304  -3.475
  217   2HB   GLU  22          1HB       GLU  22   4.056  -2.025  -3.776
  218   1HG   GLU  22          2HG       GLU  22   4.718  -0.108  -5.970
  219   2HG   GLU  22          1HG       GLU  22   5.957  -0.710  -4.864
  220    H    PHE  23           H        PHE  23   0.941   0.201  -3.079
  221    HA   PHE  23           HA       PHE  23   0.172  -2.269  -1.737
  222   1HB   PHE  23          2HB       PHE  23   0.788  -0.418  -0.302
  223   2HB   PHE  23          1HB       PHE  23  -0.358   0.642  -1.110
  224    HD1  PHE  23           1HD      PHE  23  -2.505   0.885  -0.288
  225    HD2  PHE  23           2HD      PHE  23  -0.170  -2.454   0.941
  226    HE1  PHE  23           1HE      PHE  23  -4.227   0.299   1.369
  227    HE2  PHE  23           2HE      PHE  23  -1.889  -3.048   2.599
  228    HZ   PHE  23           HZ       PHE  23  -3.920  -1.671   2.815
  229    H    ALA  24           H        ALA  24  -1.218   0.326  -3.671
  230    HA   ALA  24           HA       ALA  24  -3.883  -0.797  -3.475
  231   1HB   ALA  24          1HB       ALA  24  -4.219   1.426  -3.678
  232   2HB   ALA  24          2HB       ALA  24  -4.107   1.084  -5.404
  233   3HB   ALA  24          3HB       ALA  24  -2.698   1.686  -4.531
  234    H    LYS  25           H        LYS  25  -2.311  -2.712  -4.389
  235    HA   LYS  25           HA       LYS  25  -2.212  -2.867  -7.254
  236   1HB   LYS  25          2HB       LYS  25  -1.810  -5.356  -6.645
  237   2HB   LYS  25          1HB       LYS  25  -0.599  -4.183  -6.139
  238   1HG   LYS  25          2HG       LYS  25  -2.310  -4.206  -3.991
  239   2HG   LYS  25          1HG       LYS  25  -2.348  -5.890  -4.533
  240   1HD   LYS  25          2HD       LYS  25  -0.005  -4.263  -3.595
  241   2HD   LYS  25          1HD       LYS  25  -0.610  -5.793  -2.961
  242   1HE   LYS  25          2HE       LYS  25   0.835  -5.332  -5.565
  243   2HE   LYS  25          1HE       LYS  25   1.407  -6.238  -4.167
  244   1HZ   LYS  25          1HZ       LYS  25  -0.924  -6.982  -5.849
  245   2HZ   LYS  25          2HZ       LYS  25  -0.322  -7.866  -4.538
  246   3HZ   LYS  25          3HZ       LYS  25   0.610  -7.691  -5.939
  247    H    PHE  26           H        PHE  26  -3.978  -4.453  -4.702
  248    HA   PHE  26           HA       PHE  26  -6.301  -4.870  -6.442
  249   1HB   PHE  26          2HB       PHE  26  -6.077  -7.054  -5.983
  250   2HB   PHE  26          1HB       PHE  26  -4.673  -6.704  -5.000
  251    HD1  PHE  26           1HD      PHE  26  -8.222  -7.505  -4.973
  252    HD2  PHE  26           2HD      PHE  26  -4.852  -6.461  -2.594
  253    HE1  PHE  26           1HE      PHE  26  -9.416  -8.256  -2.957
  254    HE2  PHE  26           2HE      PHE  26  -6.038  -7.207  -0.575
  255    HZ   PHE  26           HZ       PHE  26  -8.325  -8.107  -0.753
  256    H    GLU  27           H        GLU  27  -4.896  -3.479  -3.775
  257    HA   GLU  27           HA       GLU  27  -6.963  -3.313  -1.896
  258   1HB   GLU  27          2HB       GLU  27  -4.410  -1.912  -2.475
  259   2HB   GLU  27          1HB       GLU  27  -5.540  -1.080  -1.431
  260   1HG   GLU  27          2HG       GLU  27  -4.185  -3.713  -0.996
  261   2HG   GLU  27          1HG       GLU  27  -4.110  -2.254  -0.003
  262    H    GLU  28           H        GLU  28  -6.258  -1.565  -4.822
  263    HA   GLU  28           HA       GLU  28  -8.021   0.633  -4.320
  264   1HB   GLU  28          2HB       GLU  28  -7.585   1.281  -6.588
  265   2HB   GLU  28          1HB       GLU  28  -6.074   0.701  -5.901
  266   1HG   GLU  28          2HG       GLU  28  -6.320  -1.411  -7.047
  267   2HG   GLU  28          1HG       GLU  28  -7.897  -0.920  -7.664
  268    H    GLU  29           H        GLU  29  -8.546  -2.565  -4.903
  269    HA   GLU  29           HA       GLU  29 -11.197  -2.065  -6.087
  270   1HB   GLU  29          2HB       GLU  29  -9.625  -4.635  -6.306
  271   2HB   GLU  29          1HB       GLU  29 -11.096  -4.201  -7.170
  272   1HG   GLU  29          2HG       GLU  29  -8.487  -2.744  -7.487
  273   2HG   GLU  29          1HG       GLU  29  -8.988  -4.092  -8.510
  274    H    ARG  30           H        ARG  30  -9.449  -3.141  -3.423
  275    HA   ARG  30           HA       ARG  30 -11.587  -4.849  -2.405
  276   1HB   ARG  30          2HB       ARG  30  -9.516  -5.849  -2.015
  277   2HB   ARG  30          1HB       ARG  30  -8.741  -4.324  -1.616
  278   1HG   ARG  30          2HG       ARG  30 -10.899  -5.214   0.193
  279   2HG   ARG  30          1HG       ARG  30  -9.413  -6.164   0.203
  280   1HD   ARG  30          2HD       ARG  30  -8.449  -3.611   0.253
  281   2HD   ARG  30          1HD       ARG  30  -9.929  -3.455   1.198
  282    HE   ARG  30           HE       ARG  30  -7.528  -4.856   1.945
  283   1HH1  ARG  30          1HH1      ARG  30 -10.961  -4.560   2.468
  284   2HH1  ARG  30          2HH1      ARG  30 -10.904  -5.220   4.068
  285   1HH2  ARG  30          1HH2      ARG  30  -7.442  -5.724   4.049
  286   2HH2  ARG  30          2HH2      ARG  30  -8.902  -5.881   4.969
  287    H    ALA  31           H        ALA  31 -10.111  -1.729  -1.911
  288    HA   ALA  31           HA       ALA  31 -11.807  -1.233   0.423
  289   1HB   ALA  31          1HB       ALA  31 -10.109   0.979  -0.139
  290   2HB   ALA  31          2HB       ALA  31  -9.148  -0.498  -0.223
  291   3HB   ALA  31          3HB       ALA  31 -10.065  -0.123   1.236
  292    H    ARG  32           H        ARG  32 -11.892  -0.899  -2.834
  293    HA   ARG  32           HA       ARG  32 -13.260   1.681  -2.855
  294   1HB   ARG  32          2HB       ARG  32 -11.639   0.351  -4.697
  295   2HB   ARG  32          1HB       ARG  32 -13.261   0.225  -5.364
  296   1HG   ARG  32          2HG       ARG  32 -11.952   2.204  -6.136
  297   2HG   ARG  32          1HG       ARG  32 -13.516   2.587  -5.412
  298   1HD   ARG  32          2HD       ARG  32 -11.938   2.703  -3.230
  299   2HD   ARG  32          1HD       ARG  32 -10.785   3.195  -4.474
  300    HE   ARG  32           HE       ARG  32 -13.290   4.579  -4.646
  301   1HH1  ARG  32          1HH1      ARG  32 -10.179   4.523  -3.077
  302   2HH1  ARG  32          2HH1      ARG  32 -10.188   6.217  -2.717
  303   1HH2  ARG  32          1HH2      ARG  32 -13.312   6.804  -4.179
  304   2HH2  ARG  32          2HH2      ARG  32 -11.971   7.516  -3.344
  305    H    ALA  33           H        ALA  33 -13.895  -1.557  -4.159
  306    HA   ALA  33           HA       ALA  33 -16.556  -1.244  -4.724
  307   1HB   ALA  33          1HB       ALA  33 -14.761  -3.304  -4.818
  308   2HB   ALA  33          2HB       ALA  33 -16.462  -3.403  -5.274
  309   3HB   ALA  33          3HB       ALA  33 -15.953  -3.888  -3.657
  310    H    LYS  34           H        LYS  34 -15.153  -1.374  -1.565
  311    HA   LYS  34           HA       LYS  34 -17.403  -2.420  -0.195
  312   1HB   LYS  34          2HB       LYS  34 -16.184  -0.558   1.537
  313   2HB   LYS  34          1HB       LYS  34 -16.028  -2.302   1.551
  314   1HG   LYS  34          2HG       LYS  34 -13.992  -2.264   0.494
  315   2HG   LYS  34          1HG       LYS  34 -14.281  -0.696  -0.269
  316   1HD   LYS  34          2HD       LYS  34 -12.711  -0.270   1.430
  317   2HD   LYS  34          1HD       LYS  34 -14.256   0.275   2.085
  318   1HE   LYS  34          2HE       LYS  34 -12.870  -1.019   3.698
  319   2HE   LYS  34          1HE       LYS  34 -14.468  -1.707   3.409
  320   1HZ   LYS  34          1HZ       LYS  34 -13.596  -3.464   2.232
  321   2HZ   LYS  34          2HZ       LYS  34 -12.402  -3.234   3.409
  322   3HZ   LYS  34          3HZ       LYS  34 -12.164  -2.651   1.839
  323    H    TRP  35           H        TRP  35 -16.394   0.868  -0.975
  324    HA   TRP  35           HA       TRP  35 -19.023   1.850  -0.125
  325   1HB   TRP  35          2HB       TRP  35 -17.942   4.107  -0.270
  326   2HB   TRP  35          1HB       TRP  35 -17.224   3.048   0.937
  327    HD1  TRP  35           HD       TRP  35 -16.507   3.294  -2.856
  328    HE1  TRP  35           1HE      TRP  35 -14.025   3.737  -3.152
  329    HE3  TRP  35           3HE      TRP  35 -15.134   3.632   2.056
  330    HZ2  TRP  35           2HZ      TRP  35 -11.736   4.172  -1.550
  331    HZ3  TRP  35           3HZ      TRP  35 -12.769   4.058   2.585
  332    HH2  TRP  35           HH       TRP  35 -11.107   4.319   0.819
  333    H    ASP  36           H        ASP  36 -17.452   0.802  -2.791
  334    HA   ASP  36           HA       ASP  36 -18.823   2.652  -4.616
  335   1HB   ASP  36          2HB       ASP  36 -16.188   1.542  -4.597
  336   2HB   ASP  36          1HB       ASP  36 -17.037   0.928  -6.017
  Start of MODEL   11
    1   1H    MET   1          1HT       MET   1  13.200  -5.077  -5.865
    2   2H    MET   1          2HT       MET   1  12.252  -4.754  -4.503
    3   3H    MET   1          3HT       MET   1  13.381  -6.013  -4.468
    4    HA   MET   1           HA       MET   1  14.898  -3.876  -5.141
    5   1HB   MET   1          2HB       MET   1  12.896  -3.054  -3.033
    6   2HB   MET   1          1HB       MET   1  14.297  -2.124  -3.542
    7   1HG   MET   1          2HG       MET   1  11.923  -2.835  -5.248
    8   2HG   MET   1          1HG       MET   1  12.264  -1.258  -4.537
    9   1HE   MET   1          1HE       MET   1  14.963  -0.863  -4.586
   10   2HE   MET   1          2HE       MET   1  14.773   0.334  -5.870
   11   3HE   MET   1          3HE       MET   1  15.920  -0.992  -6.064
   12    H    TRP   2           H        TRP   2  14.217  -3.469  -1.875
   13    HA   TRP   2           HA       TRP   2  16.314  -5.383  -1.131
   14   1HB   TRP   2          2HB       TRP   2  15.829  -3.350   0.823
   15   2HB   TRP   2          1HB       TRP   2  17.308  -3.666  -0.076
   16    HD1  TRP   2           HD       TRP   2  17.947  -1.883  -1.856
   17    HE1  TRP   2           1HE      TRP   2  16.830   0.264  -2.734
   18    HE3  TRP   2           3HE      TRP   2  13.342  -2.393   0.312
   19    HZ2  TRP   2           2HZ      TRP   2  14.328   1.545  -2.489
   20    HZ3  TRP   2           3HZ      TRP   2  11.670  -0.646  -0.081
   21    HH2  TRP   2           HH       TRP   2  12.162   1.281  -1.459
   22    H    LYS   3           H        LYS   3  14.273  -3.588   1.073
   23    HA   LYS   3           HA       LYS   3  13.347  -6.061   2.304
   24   1HB   LYS   3          2HB       LYS   3  12.801  -4.776   4.165
   25   2HB   LYS   3          1HB       LYS   3  14.240  -3.964   3.567
   26   1HG   LYS   3          2HG       LYS   3  11.665  -2.964   2.535
   27   2HG   LYS   3          1HG       LYS   3  11.934  -2.743   4.260
   28   1HD   LYS   3          2HD       LYS   3  13.919  -1.482   3.862
   29   2HD   LYS   3          1HD       LYS   3  13.892  -1.885   2.142
   30   1HE   LYS   3          2HE       LYS   3  12.193  -0.411   1.678
   31   2HE   LYS   3          1HE       LYS   3  11.497  -0.574   3.283
   32   1HZ   LYS   3          1HZ       LYS   3  13.920   0.597   3.721
   33   2HZ   LYS   3          2HZ       LYS   3  12.417   1.368   3.742
   34   3HZ   LYS   3          3HZ       LYS   3  13.344   1.364   2.327
   35    H    VAL   4           H        VAL   4  12.386  -3.547   0.292
   36    HA   VAL   4           HA       VAL   4   9.822  -3.077   0.585
   37    HB   VAL   4           HB       VAL   4  11.480  -2.449  -1.320
   38   1HG1  VAL   4          1HG1      VAL   4  11.758  -4.453  -2.492
   39   2HG1  VAL   4          2HG1      VAL   4  10.614  -3.550  -3.486
   40   3HG1  VAL   4          3HG1      VAL   4  10.037  -4.840  -2.426
   41   1HG2  VAL   4          1HG2      VAL   4   8.951  -1.812  -0.792
   42   2HG2  VAL   4          2HG2      VAL   4   8.722  -2.592  -2.357
   43   3HG2  VAL   4          3HG2      VAL   4   9.815  -1.217  -2.207
   44    H    GLY   5           H        GLY   5  11.091  -6.041  -0.905
   45   1HA   GLY   5          2HA       GLY   5   8.952  -7.217  -1.989
   46   2HA   GLY   5          1HA       GLY   5  10.065  -8.135  -0.980
   47    H    PHE   6           H        PHE   6   9.439  -6.906   1.487
   48    HA   PHE   6           HA       PHE   6   6.641  -7.681   1.784
   49   1HB   PHE   6          2HB       PHE   6   7.735  -8.159   4.265
   50   2HB   PHE   6          1HB       PHE   6   7.363  -9.383   3.058
   51    HD1  PHE   6           1HD      PHE   6   9.089 -10.490   1.839
   52    HD2  PHE   6           2HD      PHE   6  10.031  -7.333   4.533
   53    HE1  PHE   6           1HE      PHE   6  11.468 -11.103   1.717
   54    HE2  PHE   6           2HE      PHE   6  12.413  -7.939   4.417
   55    HZ   PHE   6           HZ       PHE   6  13.135  -9.826   3.007
   56    H    PHE   7           H        PHE   7   8.530  -5.104   1.791
   57    HA   PHE   7           HA       PHE   7   7.432  -3.894   4.213
   58   1HB   PHE   7          2HB       PHE   7   9.849  -3.582   2.814
   59   2HB   PHE   7          1HB       PHE   7   8.966  -2.058   2.679
   60    HD1  PHE   7           1HD      PHE   7   9.172  -4.520   5.471
   61    HD2  PHE   7           2HD      PHE   7   9.911  -0.577   4.080
   62    HE1  PHE   7           1HE      PHE   7   9.894  -3.863   7.730
   63    HE2  PHE   7           2HE      PHE   7  10.656   0.094   6.309
   64    HZ   PHE   7           HZ       PHE   7  10.626  -1.557   8.153
   65    H    LYS   8           H        LYS   8   7.392  -3.446   0.708
   66    HA   LYS   8           HA       LYS   8   6.000  -1.047   0.711
   67   1HB   LYS   8          2HB       LYS   8   5.166  -1.858  -1.588
   68   2HB   LYS   8          1HB       LYS   8   6.886  -1.598  -1.315
   69   1HG   LYS   8          2HG       LYS   8   6.078  -3.697  -2.605
   70   2HG   LYS   8          1HG       LYS   8   7.398  -3.806  -1.450
   71   1HD   LYS   8          2HD       LYS   8   6.074  -5.675  -1.004
   72   2HD   LYS   8          1HD       LYS   8   5.633  -4.513   0.251
   73   1HE   LYS   8          2HE       LYS   8   3.520  -4.554  -0.393
   74   2HE   LYS   8          1HE       LYS   8   3.968  -4.122  -2.043
   75   1HZ   LYS   8          1HZ       LYS   8   3.623  -6.196  -2.718
   76   2HZ   LYS   8          2HZ       LYS   8   2.915  -6.511  -1.214
   77   3HZ   LYS   8          3HZ       LYS   8   4.552  -6.853  -1.465
   78    H    ARG   9           H        ARG   9   5.057  -4.009   1.835
   79    HA   ARG   9           HA       ARG   9   2.223  -3.305   1.704
   80   1HB   ARG   9          2HB       ARG   9   1.722  -5.480   1.367
   81   2HB   ARG   9          1HB       ARG   9   3.435  -5.732   1.082
   82   1HG   ARG   9          2HG       ARG   9   3.697  -6.161   3.531
   83   2HG   ARG   9          1HG       ARG   9   1.937  -6.119   3.659
   84   1HD   ARG   9          2HD       ARG   9   3.537  -7.997   1.923
   85   2HD   ARG   9          1HD       ARG   9   2.779  -8.411   3.460
   86    HE   ARG   9           HE       ARG   9   1.403  -7.868   0.931
   87   1HH1  ARG   9          1HH1      ARG   9   1.291  -8.828   4.279
   88   2HH1  ARG   9          2HH1      ARG   9  -0.331  -9.429   4.186
   89   1HH2  ARG   9          1HH2      ARG   9  -0.733  -8.658   0.799
   90   2HH2  ARG   9          2HH2      ARG   9  -1.481  -9.332   2.208
   91    H    ASN  10           H        ASN  10   4.974  -3.677   3.526
   92    HA   ASN  10           HA       ASN  10   3.650  -3.667   6.124
   93   1HB   ASN  10          2HB       ASN  10   6.196  -4.526   5.063
   94   2HB   ASN  10          1HB       ASN  10   6.404  -3.450   6.418
   95   1HD2  ASN  10          1HD2      ASN  10   4.252  -4.071   7.984
   96   2HD2  ASN  10          2HD2      ASN  10   4.389  -5.700   8.544
   97    H    ARG  11           H        ARG  11   6.651  -2.100   5.271
   98    HA   ARG  11           HA       ARG  11   5.496   0.532   5.710
   99   1HB   ARG  11          2HB       ARG  11   7.453  -0.863   7.399
  100   2HB   ARG  11          1HB       ARG  11   7.729   0.851   7.104
  101   1HG   ARG  11          2HG       ARG  11   6.503   0.881   9.051
  102   2HG   ARG  11          1HG       ARG  11   5.248   1.098   7.826
  103   1HD   ARG  11          2HD       ARG  11   5.079  -0.723   9.782
  104   2HD   ARG  11          1HD       ARG  11   4.348  -0.940   8.190
  105    HE   ARG  11           HE       ARG  11   6.435  -2.198   7.612
  106   1HH1  ARG  11          1HH1      ARG  11   5.357  -1.921  10.918
  107   2HH1  ARG  11          2HH1      ARG  11   6.138  -3.380  11.430
  108   1HH2  ARG  11          1HH2      ARG  11   7.463  -4.122   8.281
  109   2HH2  ARG  11          2HH2      ARG  11   7.335  -4.630   9.933
  110   1H    LYS  12          1HT       LYS  12  17.356   3.092  -1.324
  111   2H    LYS  12          2HT       LYS  12  16.778   4.548  -0.688
  112   3H    LYS  12          3HT       LYS  12  16.009   3.845  -2.020
  113    HA   LYS  12           HA       LYS  12  15.038   2.204  -0.804
  114   1HB   LYS  12          2HB       LYS  12  17.226   1.582   0.254
  115   2HB   LYS  12          1HB       LYS  12  16.872   2.769   1.506
  116   1HG   LYS  12          2HG       LYS  12  14.573   1.398   1.563
  117   2HG   LYS  12          1HG       LYS  12  15.667   0.120   1.009
  118   1HD   LYS  12          2HD       LYS  12  15.538   0.050   3.372
  119   2HD   LYS  12          1HD       LYS  12  17.140   0.649   2.948
  120   1HE   LYS  12          2HE       LYS  12  15.084   2.715   3.316
  121   2HE   LYS  12          1HE       LYS  12  15.465   1.792   4.769
  122   1HZ   LYS  12          1HZ       LYS  12  17.139   3.230   4.983
  123   2HZ   LYS  12          2HZ       LYS  12  17.050   3.750   3.377
  124   3HZ   LYS  12          3HZ       LYS  12  17.908   2.345   3.763
  125    H    LEU  13           H        LEU  13  14.981   5.312  -0.682
  126    HA   LEU  13           HA       LEU  13  13.142   5.356   1.604
  127   1HB   LEU  13          2HB       LEU  13  14.608   7.708   0.408
  128   2HB   LEU  13          1HB       LEU  13  13.565   7.741   1.818
  129    HG   LEU  13           HG       LEU  13  15.616   7.689   2.839
  130   1HD1  LEU  13          1HD1      LEU  13  15.108   4.738   2.370
  131   2HD1  LEU  13          2HD1      LEU  13  14.370   5.738   3.628
  132   3HD1  LEU  13          3HD1      LEU  13  16.106   5.438   3.652
  133   1HD2  LEU  13          1HD2      LEU  13  16.770   7.493   0.588
  134   2HD2  LEU  13          2HD2      LEU  13  16.739   5.747   0.842
  135   3HD2  LEU  13          3HD2      LEU  13  17.605   6.787   1.972
  136    H    LEU  14           H        LEU  14  12.821   4.641  -1.286
  137    HA   LEU  14           HA       LEU  14  10.983   6.637  -2.307
  138   1HB   LEU  14          2HB       LEU  14  10.588   4.753  -4.042
  139   2HB   LEU  14          1HB       LEU  14  12.122   5.601  -4.051
  140    HG   LEU  14           HG       LEU  14  12.074   3.161  -2.391
  141   1HD1  LEU  14          1HD1      LEU  14  12.369   1.729  -4.434
  142   2HD1  LEU  14          2HD1      LEU  14  11.697   3.061  -5.376
  143   3HD1  LEU  14          3HD1      LEU  14  10.723   2.283  -4.129
  144   1HD2  LEU  14          1HD2      LEU  14  14.014   3.609  -4.574
  145   2HD2  LEU  14          2HD2      LEU  14  14.275   3.107  -2.904
  146   3HD2  LEU  14          3HD2      LEU  14  13.995   4.808  -3.280
  147    H    ILE  15           H        ILE  15  10.916   4.383   0.010
  148    HA   ILE  15           HA       ILE  15   8.341   3.186  -0.428
  149    HB   ILE  15           HB       ILE  15  10.113   3.231   2.026
  150   1HG1  ILE  15          2HG1      ILE  15  11.110   2.215  -0.011
  151   2HG1  ILE  15          1HG1      ILE  15  10.910   1.089   1.328
  152   1HG2  ILE  15          1HG2      ILE  15   8.536   0.914   1.971
  153   2HG2  ILE  15          2HG2      ILE  15   7.441   2.263   1.652
  154   3HG2  ILE  15          3HG2      ILE  15   8.437   2.260   3.108
  155   1HD1  ILE  15          1HD1      ILE  15   9.123   0.006   0.296
  156   2HD1  ILE  15          2HD1      ILE  15  10.302   0.270  -0.991
  157   3HD1  ILE  15          3HD1      ILE  15   8.887   1.313  -0.865
  158    H    THR  16           H        THR  16   8.980   6.248   0.060
  159    HA   THR  16           HA       THR  16   7.137   6.746   2.266
  160    HB   THR  16           HB       THR  16   9.283   8.021   2.061
  161    HG1  THR  16           1HG      THR  16   6.837   9.443   2.008
  162   1HG2  THR  16          1HG2      THR  16   8.376  10.027   0.257
  163   2HG2  THR  16          2HG2      THR  16   8.434   8.475  -0.578
  164   3HG2  THR  16          3HG2      THR  16   9.873   9.096   0.229
  165    H    ILE  17           H        ILE  17   7.299   6.954  -1.216
  166    HA   ILE  17           HA       ILE  17   4.538   7.981  -1.226
  167    HB   ILE  17           HB       ILE  17   6.587   9.338  -2.278
  168   1HG1  ILE  17          2HG1      ILE  17   4.194  10.017  -2.103
  169   2HG1  ILE  17          1HG1      ILE  17   4.982  10.576  -3.572
  170   1HG2  ILE  17          1HG2      ILE  17   5.695   7.490  -4.475
  171   2HG2  ILE  17          2HG2      ILE  17   7.331   7.757  -3.873
  172   3HG2  ILE  17          3HG2      ILE  17   6.504   9.029  -4.773
  173   1HD1  ILE  17          1HD1      ILE  17   3.655   8.008  -3.899
  174   2HD1  ILE  17          2HD1      ILE  17   3.557   9.473  -4.876
  175   3HD1  ILE  17          3HD1      ILE  17   2.563   9.311  -3.429
  176    H    HIS  18           H        HIS  18   6.835   5.778  -2.762
  177    HA   HIS  18           HA       HIS  18   5.010   4.694  -4.626
  178   1HB   HIS  18          2HB       HIS  18   6.943   3.876  -5.374
  179   2HB   HIS  18          1HB       HIS  18   7.745   4.296  -3.867
  180    HD1  HIS  18           1HD      HIS  18   7.371   2.360  -1.914
  181    HD2  HIS  18           2HD      HIS  18   6.893   1.232  -5.881
  182    HE1  HIS  18           1HE      HIS  18   7.620  -0.142  -1.936
  183    HE2  HIS  18           2HE      HIS  18   7.414  -0.793  -4.359
  184    H    ASP  19           H        ASP  19   5.395   4.263  -1.264
  185    HA   ASP  19           HA       ASP  19   4.234   1.647  -1.098
  186   1HB   ASP  19          2HB       ASP  19   5.726   2.971   0.622
  187   2HB   ASP  19          1HB       ASP  19   4.175   3.582   1.185
  188    H    ARG  20           H        ARG  20   3.057   4.776  -1.621
  189    HA   ARG  20           HA       ARG  20   0.443   4.359  -0.494
  190   1HB   ARG  20          2HB       ARG  20   1.829   6.541  -1.927
  191   2HB   ARG  20          1HB       ARG  20   0.074   6.521  -1.998
  192   1HG   ARG  20          2HG       ARG  20  -0.033   7.442   0.010
  193   2HG   ARG  20          1HG       ARG  20   0.883   6.099   0.698
  194   1HD   ARG  20          2HD       ARG  20   2.865   7.225   0.612
  195   2HD   ARG  20          1HD       ARG  20   2.392   8.167  -0.801
  196    HE   ARG  20           HE       ARG  20   0.932   8.837   1.583
  197   1HH1  ARG  20          1HH1      ARG  20   3.815   9.438  -0.280
  198   2HH1  ARG  20          2HH1      ARG  20   4.072  11.017   0.387
  199   1HH2  ARG  20          1HH2      ARG  20   1.258  10.916   2.462
  200   2HH2  ARG  20          2HH2      ARG  20   2.619  11.856   1.946
  201    H    LYS  21           H        LYS  21   2.043   3.610  -3.358
  202    HA   LYS  21           HA       LYS  21  -0.467   3.252  -4.848
  203   1HB   LYS  21          2HB       LYS  21   1.768   2.652  -6.481
  204   2HB   LYS  21          1HB       LYS  21   0.673   4.025  -6.607
  205   1HG   LYS  21          2HG       LYS  21   2.081   5.419  -5.422
  206   2HG   LYS  21          1HG       LYS  21   2.960   4.080  -4.681
  207   1HD   LYS  21          2HD       LYS  21   4.449   4.880  -6.290
  208   2HD   LYS  21          1HD       LYS  21   3.682   3.506  -7.087
  209   1HE   LYS  21          2HE       LYS  21   3.886   5.523  -8.528
  210   2HE   LYS  21          1HE       LYS  21   2.230   4.952  -8.324
  211   1HZ   LYS  21          1HZ       LYS  21   2.789   7.464  -8.079
  212   2HZ   LYS  21          2HZ       LYS  21   3.261   7.024  -6.516
  213   3HZ   LYS  21          3HZ       LYS  21   1.675   6.741  -7.029
  214    H    GLU  22           H        GLU  22   2.219   1.656  -3.397
  215    HA   GLU  22           HA       GLU  22   1.992  -0.842  -4.672
  216   1HB   GLU  22          2HB       GLU  22   3.285   0.245  -2.227
  217   2HB   GLU  22          1HB       GLU  22   3.067  -1.494  -2.319
  218   1HG   GLU  22          2HG       GLU  22   4.222  -0.145  -4.680
  219   2HG   GLU  22          1HG       GLU  22   5.226  -0.253  -3.229
  220    H    PHE  23           H        PHE  23   0.002   0.819  -2.564
  221    HA   PHE  23           HA       PHE  23  -1.140  -1.428  -1.190
  222   1HB   PHE  23          2HB       PHE  23  -1.915   0.207   0.132
  223   2HB   PHE  23          1HB       PHE  23  -1.238   1.401  -0.962
  224    HD1  PHE  23           1HD      PHE  23  -4.268  -0.336   0.096
  225    HD2  PHE  23           2HD      PHE  23  -2.628   2.522  -2.597
  226    HE1  PHE  23           1HE      PHE  23  -6.535   0.459  -0.435
  227    HE2  PHE  23           2HE      PHE  23  -4.892   3.322  -3.134
  228    HZ   PHE  23           HZ       PHE  23  -6.848   2.291  -2.052
  229    H    ALA  24           H        ALA  24  -1.705   0.394  -4.110
  230    HA   ALA  24           HA       ALA  24  -4.240  -0.908  -4.658
  231   1HB   ALA  24          1HB       ALA  24  -4.586   0.776  -6.077
  232   2HB   ALA  24          2HB       ALA  24  -3.057   0.484  -6.906
  233   3HB   ALA  24          3HB       ALA  24  -3.096   1.489  -5.456
  234    H    LYS  25           H        LYS  25  -2.309  -2.771  -4.275
  235    HA   LYS  25           HA       LYS  25  -1.058  -3.657  -6.691
  236   1HB   LYS  25          2HB       LYS  25  -0.998  -5.858  -5.237
  237   2HB   LYS  25          1HB       LYS  25   0.016  -4.485  -4.808
  238   1HG   LYS  25          2HG       LYS  25  -0.893  -4.502  -2.785
  239   2HG   LYS  25          1HG       LYS  25  -2.447  -4.062  -3.515
  240   1HD   LYS  25          2HD       LYS  25  -2.705  -6.054  -2.155
  241   2HD   LYS  25          1HD       LYS  25  -2.925  -6.464  -3.857
  242   1HE   LYS  25          2HE       LYS  25  -0.561  -7.231  -3.917
  243   2HE   LYS  25          1HE       LYS  25  -0.459  -6.933  -2.183
  244   1HZ   LYS  25          1HZ       LYS  25  -0.919  -9.265  -2.716
  245   2HZ   LYS  25          2HZ       LYS  25  -2.364  -8.813  -3.470
  246   3HZ   LYS  25          3HZ       LYS  25  -2.165  -8.569  -1.808
  247    H    PHE  26           H        PHE  26  -3.607  -5.010  -4.695
  248    HA   PHE  26           HA       PHE  26  -4.863  -6.243  -7.044
  249   1HB   PHE  26          2HB       PHE  26  -4.308  -7.926  -5.439
  250   2HB   PHE  26          1HB       PHE  26  -4.839  -6.906  -4.106
  251    HD1  PHE  26           1HD      PHE  26  -7.062  -6.892  -3.373
  252    HD2  PHE  26           2HD      PHE  26  -6.003  -8.974  -6.927
  253    HE1  PHE  26           1HE      PHE  26  -9.270  -7.977  -3.389
  254    HE2  PHE  26           2HE      PHE  26  -8.210 -10.061  -6.955
  255    HZ   PHE  26           HZ       PHE  26  -9.850  -9.564  -5.184
  256    H    GLU  27           H        GLU  27  -4.979  -3.913  -4.651
  257    HA   GLU  27           HA       GLU  27  -7.675  -3.496  -4.155
  258   1HB   GLU  27          2HB       GLU  27  -5.162  -1.981  -3.961
  259   2HB   GLU  27          1HB       GLU  27  -6.599  -0.991  -4.069
  260   1HG   GLU  27          2HG       GLU  27  -5.931  -3.057  -2.007
  261   2HG   GLU  27          1HG       GLU  27  -6.128  -1.317  -1.774
  262    H    GLU  28           H        GLU  28  -5.693  -2.645  -6.905
  263    HA   GLU  28           HA       GLU  28  -7.422  -0.737  -8.072
  264   1HB   GLU  28          2HB       GLU  28  -6.189  -1.344 -10.205
  265   2HB   GLU  28          1HB       GLU  28  -5.187  -0.798  -8.867
  266   1HG   GLU  28          2HG       GLU  28  -4.573  -3.082  -8.355
  267   2HG   GLU  28          1HG       GLU  28  -5.638  -3.675  -9.628
  268    H    GLU  29           H        GLU  29  -7.350  -4.214  -8.049
  269    HA   GLU  29           HA       GLU  29  -9.402  -4.427 -10.105
  270   1HB   GLU  29          2HB       GLU  29  -8.130  -6.265 -10.447
  271   2HB   GLU  29          1HB       GLU  29  -7.481  -6.238  -8.814
  272   1HG   GLU  29          2HG       GLU  29  -9.435  -7.356  -7.969
  273   2HG   GLU  29          1HG       GLU  29 -10.209  -7.276  -9.550
  274    H    ARG  30           H        ARG  30  -8.989  -4.782  -6.644
  275    HA   ARG  30           HA       ARG  30 -11.540  -5.874  -6.078
  276   1HB   ARG  30          2HB       ARG  30 -10.211  -6.226  -4.274
  277   2HB   ARG  30          1HB       ARG  30  -9.265  -4.774  -4.561
  278   1HG   ARG  30          2HG       ARG  30 -10.258  -4.115  -2.655
  279   2HG   ARG  30          1HG       ARG  30 -11.549  -3.652  -3.763
  280   1HD   ARG  30          2HD       ARG  30 -12.406  -6.067  -3.374
  281   2HD   ARG  30          1HD       ARG  30 -11.378  -6.017  -1.942
  282    HE   ARG  30           HE       ARG  30 -12.741  -4.290  -1.064
  283   1HH1  ARG  30          1HH1      ARG  30 -13.926  -5.605  -4.067
  284   2HH1  ARG  30          2HH1      ARG  30 -15.523  -4.970  -3.862
  285   1HH2  ARG  30          1HH2      ARG  30 -14.841  -3.447  -0.790
  286   2HH2  ARG  30          2HH2      ARG  30 -16.043  -3.742  -2.002
  287    H    ALA  31           H        ALA  31 -10.458  -2.754  -6.904
  288    HA   ALA  31           HA       ALA  31 -12.998  -1.550  -6.030
  289   1HB   ALA  31          1HB       ALA  31 -10.515  -0.045  -6.803
  290   2HB   ALA  31          2HB       ALA  31 -10.817  -0.591  -5.152
  291   3HB   ALA  31          3HB       ALA  31 -11.921   0.550  -5.921
  292    H    ARG  32           H        ARG  32 -11.959  -3.061  -8.552
  293    HA   ARG  32           HA       ARG  32 -12.759  -1.079 -10.568
  294   1HB   ARG  32          2HB       ARG  32 -10.685  -2.963 -10.507
  295   2HB   ARG  32          1HB       ARG  32 -11.863  -3.616 -11.632
  296   1HG   ARG  32          2HG       ARG  32 -10.057  -2.168 -12.621
  297   2HG   ARG  32          1HG       ARG  32 -11.716  -1.736 -13.040
  298   1HD   ARG  32          2HD       ARG  32 -11.377  -0.239 -10.829
  299   2HD   ARG  32          1HD       ARG  32  -9.718  -0.276 -11.432
  300    HE   ARG  32           HE       ARG  32 -12.044   0.800 -12.878
  301   1HH1  ARG  32          1HH1      ARG  32  -8.600   0.502 -12.447
  302   2HH1  ARG  32          2HH1      ARG  32  -8.219   1.720 -13.619
  303   1HH2  ARG  32          1HH2      ARG  32 -11.555   2.396 -14.422
  304   2HH2  ARG  32          2HH2      ARG  32  -9.900   2.798 -14.743
  305    H    ALA  33           H        ALA  33 -13.079  -4.592 -10.184
  306    HA   ALA  33           HA       ALA  33 -15.201  -5.053 -11.807
  307   1HB   ALA  33          1HB       ALA  33 -13.866  -6.424  -9.738
  308   2HB   ALA  33          2HB       ALA  33 -14.890  -7.095 -11.010
  309   3HB   ALA  33          3HB       ALA  33 -15.598  -6.624  -9.464
  310    H    LYS  34           H        LYS  34 -15.280  -3.412  -8.743
  311    HA   LYS  34           HA       LYS  34 -17.933  -3.693  -7.993
  312   1HB   LYS  34          2HB       LYS  34 -17.672  -1.281  -7.143
  313   2HB   LYS  34          1HB       LYS  34 -16.585  -2.495  -6.483
  314   1HG   LYS  34          2HG       LYS  34 -14.792  -1.718  -7.881
  315   2HG   LYS  34          1HG       LYS  34 -15.883  -0.636  -8.744
  316   1HD   LYS  34          2HD       LYS  34 -14.478   0.529  -7.074
  317   2HD   LYS  34          1HD       LYS  34 -16.207   0.702  -6.764
  318   1HE   LYS  34          2HE       LYS  34 -16.114  -0.495  -4.841
  319   2HE   LYS  34          1HE       LYS  34 -14.859  -1.575  -5.448
  320   1HZ   LYS  34          1HZ       LYS  34 -13.756   0.980  -5.207
  321   2HZ   LYS  34          2HZ       LYS  34 -13.377  -0.407  -4.316
  322   3HZ   LYS  34          3HZ       LYS  34 -14.577   0.650  -3.765
  323    H    TRP  35           H        TRP  35 -16.515  -1.158 -10.007
  324    HA   TRP  35           HA       TRP  35 -19.150  -0.499 -11.072
  325   1HB   TRP  35          2HB       TRP  35 -17.917   1.443 -12.077
  326   2HB   TRP  35          1HB       TRP  35 -17.914   1.418 -10.320
  327    HD1  TRP  35           HD       TRP  35 -15.562  -0.299 -12.881
  328    HE1  TRP  35           1HE      TRP  35 -13.182   0.373 -12.320
  329    HE3  TRP  35           3HE      TRP  35 -16.492   2.808  -8.938
  330    HZ2  TRP  35           2HZ      TRP  35 -11.813   2.004 -10.451
  331    HZ3  TRP  35           3HZ      TRP  35 -14.588   3.876  -7.809
  332    HH2  TRP  35           HH       TRP  35 -12.295   3.484  -8.550
  333    H    ASP  36           H        ASP  36 -16.677  -2.514 -11.679
  334    HA   ASP  36           HA       ASP  36 -16.954  -2.357 -14.606
  335   1HB   ASP  36          2HB       ASP  36 -14.667  -2.547 -12.956
  336   2HB   ASP  36          1HB       ASP  36 -14.836  -4.115 -13.751
  Start of MODEL   12
    1   1H    MET   1          1HT       MET   1  14.835  -5.098  -4.674
    2   2H    MET   1          2HT       MET   1  13.621  -4.152  -3.973
    3   3H    MET   1          3HT       MET   1  14.225  -5.498  -3.146
    4    HA   MET   1           HA       MET   1  16.333  -3.745  -3.826
    5   1HB   MET   1          2HB       MET   1  14.096  -2.581  -2.165
    6   2HB   MET   1          1HB       MET   1  15.670  -1.845  -2.425
    7   1HG   MET   1          2HG       MET   1  13.650  -2.416  -4.580
    8   2HG   MET   1          1HG       MET   1  13.907  -0.852  -3.810
    9   1HE   MET   1          1HE       MET   1  16.628  -0.701  -3.235
   10   2HE   MET   1          2HE       MET   1  16.713   0.568  -4.459
   11   3HE   MET   1          3HE       MET   1  17.839  -0.788  -4.514
   12    H    TRP   2           H        TRP   2  14.998  -3.176  -0.756
   13    HA   TRP   2           HA       TRP   2  16.786  -5.171   0.430
   14   1HB   TRP   2          2HB       TRP   2  16.053  -3.048   2.203
   15   2HB   TRP   2          1HB       TRP   2  17.656  -3.486   1.628
   16    HD1  TRP   2           HD       TRP   2  18.758  -1.760   0.037
   17    HE1  TRP   2           1HE      TRP   2  17.965   0.391  -1.143
   18    HE3  TRP   2           3HE      TRP   2  13.800  -2.075   1.072
   19    HZ2  TRP   2           2HZ      TRP   2  15.493   1.755  -1.521
   20    HZ3  TRP   2           3HZ      TRP   2  12.307  -0.313   0.298
   21    HH2  TRP   2           HH       TRP   2  13.147   1.567  -0.984
   22    H    LYS   3           H        LYS   3  14.534  -3.320   2.387
   23    HA   LYS   3           HA       LYS   3  13.266  -5.770   3.247
   24   1HB   LYS   3          2HB       LYS   3  12.228  -4.531   4.922
   25   2HB   LYS   3          1HB       LYS   3  13.822  -3.823   4.811
   26   1HG   LYS   3          2HG       LYS   3  11.152  -2.715   4.015
   27   2HG   LYS   3          1HG       LYS   3  12.338  -2.050   5.129
   28   1HD   LYS   3          2HD       LYS   3  13.713  -1.308   3.380
   29   2HD   LYS   3          1HD       LYS   3  12.901  -2.344   2.206
   30   1HE   LYS   3          2HE       LYS   3  11.479  -0.118   3.641
   31   2HE   LYS   3          1HE       LYS   3  12.343   0.131   2.123
   32   1HZ   LYS   3          1HZ       LYS   3  10.558  -2.106   2.042
   33   2HZ   LYS   3          2HZ       LYS   3  10.721  -0.814   0.966
   34   3HZ   LYS   3          3HZ       LYS   3   9.761  -0.646   2.347
   35    H    VAL   4           H        VAL   4  12.826  -3.369   1.002
   36    HA   VAL   4           HA       VAL   4  10.226  -2.927   0.683
   37    HB   VAL   4           HB       VAL   4  12.256  -2.178  -0.735
   38   1HG1  VAL   4          1HG1      VAL   4  12.167  -3.396  -3.003
   39   2HG1  VAL   4          2HG1      VAL   4  11.407  -4.716  -2.107
   40   3HG1  VAL   4          3HG1      VAL   4  13.033  -4.178  -1.680
   41   1HG2  VAL   4          1HG2      VAL   4   9.957  -2.623  -2.527
   42   2HG2  VAL   4          2HG2      VAL   4  10.814  -1.138  -2.116
   43   3HG2  VAL   4          3HG2      VAL   4   9.627  -1.808  -0.998
   44    H    GLY   5           H        GLY   5  11.985  -5.793  -0.415
   45   1HA   GLY   5          2HA       GLY   5  10.291  -7.058  -2.019
   46   2HA   GLY   5          1HA       GLY   5  11.158  -7.939  -0.771
   47    H    PHE   6           H        PHE   6   9.847  -6.966   1.487
   48    HA   PHE   6           HA       PHE   6   7.105  -7.830   0.955
   49   1HB   PHE   6          2HB       PHE   6   7.031  -9.026   3.041
   50   2HB   PHE   6          1HB       PHE   6   8.461  -9.557   2.162
   51    HD1  PHE   6           1HD      PHE   6   7.197  -8.094   5.181
   52    HD2  PHE   6           2HD      PHE   6  10.703  -8.621   2.826
   53    HE1  PHE   6           1HE      PHE   6   8.588  -7.554   7.138
   54    HE2  PHE   6           2HE      PHE   6  12.100  -8.081   4.779
   55    HZ   PHE   6           HZ       PHE   6  11.043  -7.549   6.938
   56    H    PHE   7           H        PHE   7   8.767  -5.207   1.554
   57    HA   PHE   7           HA       PHE   7   7.094  -4.190   3.718
   58   1HB   PHE   7          2HB       PHE   7   9.718  -3.817   3.208
   59   2HB   PHE   7          1HB       PHE   7   9.035  -2.397   2.424
   60    HD1  PHE   7           1HD      PHE   7   7.902  -4.121   5.519
   61    HD2  PHE   7           2HD      PHE   7   9.605  -0.630   3.792
   62    HE1  PHE   7           1HE      PHE   7   7.723  -2.968   7.684
   63    HE2  PHE   7           2HE      PHE   7   9.442   0.531   5.949
   64    HZ   PHE   7           HZ       PHE   7   8.493  -0.637   7.903
   65    H    LYS   8           H        LYS   8   7.796  -3.538   0.319
   66    HA   LYS   8           HA       LYS   8   6.213  -1.247   0.131
   67   1HB   LYS   8          2HB       LYS   8   6.150  -1.799  -2.347
   68   2HB   LYS   8          1HB       LYS   8   7.719  -1.569  -1.589
   69   1HG   LYS   8          2HG       LYS   8   7.221  -3.541  -3.292
   70   2HG   LYS   8          1HG       LYS   8   8.383  -3.669  -1.982
   71   1HD   LYS   8          2HD       LYS   8   7.237  -5.641  -1.761
   72   2HD   LYS   8          1HD       LYS   8   6.353  -4.602  -0.642
   73   1HE   LYS   8          2HE       LYS   8   5.324  -6.066  -2.798
   74   2HE   LYS   8          1HE       LYS   8   4.480  -4.912  -1.765
   75   1HZ   LYS   8          1HZ       LYS   8   5.907  -4.274  -4.291
   76   2HZ   LYS   8          2HZ       LYS   8   5.148  -3.142  -3.290
   77   3HZ   LYS   8          3HZ       LYS   8   4.228  -4.323  -4.079
   78    H    ARG   9           H        ARG   9   5.290  -4.384   0.718
   79    HA   ARG   9           HA       ARG   9   2.560  -3.913  -0.263
   80   1HB   ARG   9          2HB       ARG   9   2.997  -5.979  -1.150
   81   2HB   ARG   9          1HB       ARG   9   4.230  -6.347   0.045
   82   1HG   ARG   9          2HG       ARG   9   1.859  -6.346   1.485
   83   2HG   ARG   9          1HG       ARG   9   1.450  -7.121  -0.046
   84   1HD   ARG   9          2HD       ARG   9   3.990  -8.071   0.896
   85   2HD   ARG   9          1HD       ARG   9   2.774  -8.250   2.160
   86    HE   ARG   9           HE       ARG   9   2.923  -9.692  -0.324
   87   1HH1  ARG   9          1HH1      ARG   9   0.839  -8.640   2.264
   88   2HH1  ARG   9          2HH1      ARG   9  -0.321  -9.902   2.015
   89   1HH2  ARG   9          1HH2      ARG   9   1.404 -11.354  -0.661
   90   2HH2  ARG   9          2HH2      ARG   9   0.001 -11.446   0.351
   91    H    ASN  10           H        ASN  10   4.629  -4.251   2.404
   92    HA   ASN  10           HA       ASN  10   2.546  -4.719   4.371
   93   1HB   ASN  10          2HB       ASN  10   4.606  -5.845   4.778
   94   2HB   ASN  10          1HB       ASN  10   5.540  -4.372   4.507
   95   1HD2  ASN  10          1HD2      ASN  10   2.649  -5.012   6.458
   96   2HD2  ASN  10          2HD2      ASN  10   3.331  -4.491   7.958
   97    H    ARG  11           H        ARG  11   5.230  -2.416   4.443
   98    HA   ARG  11           HA       ARG  11   5.377  -0.246   5.075
   99   1HB   ARG  11          2HB       ARG  11   3.978   0.052   3.042
  100   2HB   ARG  11          1HB       ARG  11   2.553  -0.028   4.064
  101   1HG   ARG  11          2HG       ARG  11   2.731   2.204   4.073
  102   2HG   ARG  11          1HG       ARG  11   3.941   1.908   5.324
  103   1HD   ARG  11          2HD       ARG  11   4.597   2.084   2.391
  104   2HD   ARG  11          1HD       ARG  11   4.641   3.471   3.478
  105    HE   ARG  11           HE       ARG  11   6.543   1.303   3.340
  106   1HH1  ARG  11          1HH1      ARG  11   5.251   3.898   5.275
  107   2HH1  ARG  11          2HH1      ARG  11   6.680   4.060   6.241
  108   1HH2  ARG  11          1HH2      ARG  11   8.429   1.517   4.603
  109   2HH2  ARG  11          2HH2      ARG  11   8.484   2.708   5.860
  110   1H    LYS  12          1HT       LYS  12  16.784   3.619  -0.886
  111   2H    LYS  12          2HT       LYS  12  16.968   4.804   0.306
  112   3H    LYS  12          3HT       LYS  12  15.778   4.979  -0.884
  113    HA   LYS  12           HA       LYS  12  14.849   2.805  -0.013
  114   1HB   LYS  12          2HB       LYS  12  16.872   2.339   1.349
  115   2HB   LYS  12          1HB       LYS  12  16.426   3.681   2.398
  116   1HG   LYS  12          2HG       LYS  12  14.121   2.276   2.405
  117   2HG   LYS  12          1HG       LYS  12  15.303   0.971   2.217
  118   1HD   LYS  12          2HD       LYS  12  16.519   2.335   4.127
  119   2HD   LYS  12          1HD       LYS  12  14.870   2.845   4.476
  120   1HE   LYS  12          2HE       LYS  12  14.838   0.049   4.029
  121   2HE   LYS  12          1HE       LYS  12  16.163   0.394   5.138
  122   1HZ   LYS  12          1HZ       LYS  12  13.485   1.555   5.573
  123   2HZ   LYS  12          2HZ       LYS  12  14.727   1.305   6.693
  124   3HZ   LYS  12          3HZ       LYS  12  13.844  -0.011   6.103
  125    H    LEU  13           H        LEU  13  14.546   5.799  -0.341
  126    HA   LEU  13           HA       LEU  13  12.513   6.071   1.753
  127   1HB   LEU  13          2HB       LEU  13  13.873   8.311   0.256
  128   2HB   LEU  13          1HB       LEU  13  12.729   8.479   1.575
  129    HG   LEU  13           HG       LEU  13  14.704   8.811   2.698
  130   1HD1  LEU  13          1HD1      LEU  13  14.479   5.785   2.767
  131   2HD1  LEU  13          2HD1      LEU  13  13.560   6.927   3.762
  132   3HD1  LEU  13          3HD1      LEU  13  15.308   6.810   3.952
  133   1HD2  LEU  13          1HD2      LEU  13  16.086   8.407   0.668
  134   2HD2  LEU  13          2HD2      LEU  13  16.069   6.686   1.056
  135   3HD2  LEU  13          3HD2      LEU  13  16.821   7.833   2.165
  136    H    LEU  14           H        LEU  14  12.765   5.023  -1.159
  137    HA   LEU  14           HA       LEU  14  10.750   6.510  -2.574
  138   1HB   LEU  14          2HB       LEU  14  10.853   4.632  -4.182
  139   2HB   LEU  14          1HB       LEU  14  12.430   5.321  -3.850
  140    HG   LEU  14           HG       LEU  14  11.990   3.140  -2.042
  141   1HD1  LEU  14          1HD1      LEU  14  10.687   2.749  -4.521
  142   2HD1  LEU  14          2HD1      LEU  14  10.967   1.577  -3.233
  143   3HD1  LEU  14          3HD1      LEU  14  12.149   1.763  -4.529
  144   1HD2  LEU  14          1HD2      LEU  14  13.856   3.488  -4.386
  145   2HD2  LEU  14          2HD2      LEU  14  14.026   2.299  -3.095
  146   3HD2  LEU  14          3HD2      LEU  14  14.159   4.019  -2.732
  147    H    ILE  15           H        ILE  15  10.868   4.372  -0.063
  148    HA   ILE  15           HA       ILE  15   8.370   2.999  -0.518
  149    HB   ILE  15           HB       ILE  15  10.184   3.068   1.908
  150   1HG1  ILE  15          2HG1      ILE  15  11.264   2.186  -0.104
  151   2HG1  ILE  15          1HG1      ILE  15  11.009   0.927   1.101
  152   1HG2  ILE  15          1HG2      ILE  15   8.463   0.729   1.483
  153   2HG2  ILE  15          2HG2      ILE  15   7.584   2.213   1.861
  154   3HG2  ILE  15          3HG2      ILE  15   8.822   1.618   2.967
  155   1HD1  ILE  15          1HD1      ILE  15   9.384  -0.117  -0.138
  156   2HD1  ILE  15          2HD1      ILE  15  10.489   0.462  -1.389
  157   3HD1  ILE  15          3HD1      ILE  15   8.998   1.342  -1.053
  158    H    THR  16           H        THR  16   8.495   5.951  -0.368
  159    HA   THR  16           HA       THR  16   6.646   6.367   1.886
  160    HB   THR  16           HB       THR  16   8.222   8.569   0.569
  161    HG1  THR  16           1HG      THR  16   9.081   7.501   2.991
  162   1HG2  THR  16          1HG2      THR  16   7.384   9.914   2.119
  163   2HG2  THR  16          2HG2      THR  16   7.717   8.760   3.411
  164   3HG2  THR  16          3HG2      THR  16   6.230   8.629   2.471
  165    H    ILE  17           H        ILE  17   7.350   6.987  -1.497
  166    HA   ILE  17           HA       ILE  17   4.592   7.952  -1.840
  167    HB   ILE  17           HB       ILE  17   6.809   9.338  -2.519
  168   1HG1  ILE  17          2HG1      ILE  17   4.481  10.153  -2.496
  169   2HG1  ILE  17          1HG1      ILE  17   5.361  10.713  -3.914
  170   1HG2  ILE  17          1HG2      ILE  17   6.131   7.631  -4.888
  171   2HG2  ILE  17          2HG2      ILE  17   7.711   7.984  -4.185
  172   3HG2  ILE  17          3HG2      ILE  17   6.846   9.233  -5.081
  173   1HD1  ILE  17          1HD1      ILE  17   4.250   8.517  -4.946
  174   2HD1  ILE  17          2HD1      ILE  17   3.451  10.089  -4.936
  175   3HD1  ILE  17          3HD1      ILE  17   3.052   8.890  -3.706
  176    H    HIS  18           H        HIS  18   7.118   5.854  -3.160
  177    HA   HIS  18           HA       HIS  18   5.504   4.832  -5.277
  178   1HB   HIS  18          2HB       HIS  18   7.520   4.128  -5.923
  179   2HB   HIS  18          1HB       HIS  18   8.206   4.510  -4.352
  180    HD1  HIS  18           1HD      HIS  18   7.857   2.471  -2.519
  181    HD2  HIS  18           2HD      HIS  18   7.576   1.512  -6.551
  182    HE1  HIS  18           1HE      HIS  18   8.200  -0.017  -2.644
  183    HE2  HIS  18           2HE      HIS  18   8.114  -0.559  -5.103
  184    H    ASP  19           H        ASP  19   5.790   4.214  -1.925
  185    HA   ASP  19           HA       ASP  19   4.643   1.583  -1.983
  186   1HB   ASP  19          2HB       ASP  19   5.892   3.253  -0.049
  187   2HB   ASP  19          1HB       ASP  19   4.305   2.808   0.572
  188    H    ARG  20           H        ARG  20   3.499   4.736  -2.283
  189    HA   ARG  20           HA       ARG  20   0.900   4.371  -1.137
  190   1HB   ARG  20          2HB       ARG  20   2.404   6.522  -2.217
  191   2HB   ARG  20          1HB       ARG  20   0.905   6.422  -3.131
  192   1HG   ARG  20          2HG       ARG  20   0.479   7.904  -1.364
  193   2HG   ARG  20          1HG       ARG  20  -0.295   6.385  -0.907
  194   1HD   ARG  20          2HD       ARG  20   2.503   6.936  -0.025
  195   2HD   ARG  20          1HD       ARG  20   1.161   7.706   0.820
  196    HE   ARG  20           HE       ARG  20   1.920   4.938   0.931
  197   1HH1  ARG  20          1HH1      ARG  20  -0.702   7.202   1.327
  198   2HH1  ARG  20          2HH1      ARG  20  -1.602   6.169   2.387
  199   1HH2  ARG  20          1HH2      ARG  20   0.741   3.575   2.324
  200   2HH2  ARG  20          2HH2      ARG  20  -0.782   4.109   2.954
  201    H    LYS  21           H        LYS  21   2.398   3.188  -3.839
  202    HA   LYS  21           HA       LYS  21  -0.165   2.762  -5.223
  203   1HB   LYS  21          2HB       LYS  21   2.070   2.297  -6.961
  204   2HB   LYS  21          1HB       LYS  21   0.752   3.447  -7.147
  205   1HG   LYS  21          2HG       LYS  21   1.959   5.178  -6.335
  206   2HG   LYS  21          1HG       LYS  21   2.924   4.159  -5.263
  207   1HD   LYS  21          2HD       LYS  21   4.464   4.798  -6.882
  208   2HD   LYS  21          1HD       LYS  21   3.931   3.216  -7.451
  209   1HE   LYS  21          2HE       LYS  21   3.931   4.618  -9.350
  210   2HE   LYS  21          1HE       LYS  21   2.241   4.441  -8.879
  211   1HZ   LYS  21          1HZ       LYS  21   3.827   6.798  -9.045
  212   2HZ   LYS  21          2HZ       LYS  21   3.140   6.641  -7.507
  213   3HZ   LYS  21          3HZ       LYS  21   2.150   6.643  -8.879
  214    H    GLU  22           H        GLU  22   2.807   1.424  -4.040
  215    HA   GLU  22           HA       GLU  22   2.498  -1.176  -5.124
  216   1HB   GLU  22          2HB       GLU  22   4.115   0.071  -2.925
  217   2HB   GLU  22          1HB       GLU  22   4.080  -1.672  -3.108
  218   1HG   GLU  22          2HG       GLU  22   4.780   0.147  -5.377
  219   2HG   GLU  22          1HG       GLU  22   5.984  -0.386  -4.199
  220    H    PHE  23           H        PHE  23   0.793   0.596  -2.942
  221    HA   PHE  23           HA       PHE  23  -0.025  -1.575  -1.196
  222   1HB   PHE  23          2HB       PHE  23  -0.526   0.075   0.244
  223   2HB   PHE  23          1HB       PHE  23   0.222   1.179  -0.893
  224    HD1  PHE  23           1HD      PHE  23  -1.339   2.148  -2.736
  225    HD2  PHE  23           2HD      PHE  23  -2.716   0.380   0.883
  226    HE1  PHE  23           1HE      PHE  23  -3.475   3.346  -2.968
  227    HE2  PHE  23           2HE      PHE  23  -4.856   1.571   0.655
  228    HZ   PHE  23           HZ       PHE  23  -5.239   3.056  -1.272
  229    H    ALA  24           H        ALA  24  -0.909  -0.163  -4.138
  230    HA   ALA  24           HA       ALA  24  -3.718  -0.730  -4.044
  231   1HB   ALA  24          1HB       ALA  24  -2.964   1.090  -5.422
  232   2HB   ALA  24          2HB       ALA  24  -3.652  -0.159  -6.461
  233   3HB   ALA  24          3HB       ALA  24  -1.902   0.016  -6.331
  234    H    LYS  25           H        LYS  25  -2.591  -2.981  -3.270
  235    HA   LYS  25           HA       LYS  25  -1.966  -4.868  -5.302
  236   1HB   LYS  25          2HB       LYS  25  -2.781  -6.435  -3.288
  237   2HB   LYS  25          1HB       LYS  25  -1.218  -5.628  -3.264
  238   1HG   LYS  25          2HG       LYS  25  -1.785  -4.653  -1.355
  239   2HG   LYS  25          1HG       LYS  25  -3.079  -3.791  -2.203
  240   1HD   LYS  25          2HD       LYS  25  -4.081  -4.938  -0.377
  241   2HD   LYS  25          1HD       LYS  25  -4.519  -5.819  -1.842
  242   1HE   LYS  25          2HE       LYS  25  -2.224  -7.084  -1.134
  243   2HE   LYS  25          1HE       LYS  25  -2.867  -6.644   0.447
  244   1HZ   LYS  25          1HZ       LYS  25  -3.872  -8.649   0.102
  245   2HZ   LYS  25          2HZ       LYS  25  -3.984  -8.452  -1.573
  246   3HZ   LYS  25          3HZ       LYS  25  -5.049  -7.624  -0.554
  247    H    PHE  26           H        PHE  26  -4.729  -4.637  -3.153
  248    HA   PHE  26           HA       PHE  26  -6.491  -5.780  -5.206
  249   1HB   PHE  26          2HB       PHE  26  -6.676  -7.152  -3.319
  250   2HB   PHE  26          1HB       PHE  26  -6.438  -5.803  -2.214
  251    HD1  PHE  26           1HD      PHE  26  -8.242  -4.886  -1.125
  252    HD2  PHE  26           2HD      PHE  26  -8.890  -7.145  -4.672
  253    HE1  PHE  26           1HE      PHE  26 -10.675  -4.733  -0.773
  254    HE2  PHE  26           2HE      PHE  26 -11.322  -6.995  -4.331
  255    HZ   PHE  26           HZ       PHE  26 -12.217  -5.787  -2.378
  256    H    GLU  27           H        GLU  27  -5.548  -3.099  -3.452
  257    HA   GLU  27           HA       GLU  27  -7.882  -1.562  -3.266
  258   1HB   GLU  27          2HB       GLU  27  -4.953  -1.100  -3.181
  259   2HB   GLU  27          1HB       GLU  27  -5.961   0.301  -3.459
  260   1HG   GLU  27          2HG       GLU  27  -5.768  -1.453  -1.074
  261   2HG   GLU  27          1HG       GLU  27  -5.729   0.308  -1.176
  262    H    GLU  28           H        GLU  28  -5.700  -2.252  -5.881
  263    HA   GLU  28           HA       GLU  28  -6.513  -0.120  -7.597
  264   1HB   GLU  28          2HB       GLU  28  -5.267  -1.245  -9.313
  265   2HB   GLU  28          1HB       GLU  28  -4.356  -1.384  -7.815
  266   1HG   GLU  28          2HG       GLU  28  -5.003  -3.654  -7.536
  267   2HG   GLU  28          1HG       GLU  28  -6.173  -3.542  -8.851
  268    H    GLU  29           H        GLU  29  -8.141  -2.679  -6.408
  269    HA   GLU  29           HA       GLU  29  -9.919  -2.863  -8.747
  270   1HB   GLU  29          2HB       GLU  29  -9.687  -4.998  -6.637
  271   2HB   GLU  29          1HB       GLU  29 -10.370  -5.126  -8.254
  272   1HG   GLU  29          2HG       GLU  29  -7.492  -4.450  -7.990
  273   2HG   GLU  29          1HG       GLU  29  -7.999  -6.106  -7.659
  274    H    ARG  30           H        ARG  30  -9.607  -1.459  -5.877
  275    HA   ARG  30           HA       ARG  30 -12.450  -1.751  -5.157
  276   1HB   ARG  30          2HB       ARG  30 -10.175  -2.143  -3.578
  277   2HB   ARG  30          1HB       ARG  30 -10.794  -0.571  -3.088
  278   1HG   ARG  30          2HG       ARG  30 -12.642  -2.905  -3.295
  279   2HG   ARG  30          1HG       ARG  30 -11.604  -2.711  -1.881
  280   1HD   ARG  30          2HD       ARG  30 -13.251  -0.409  -2.831
  281   2HD   ARG  30          1HD       ARG  30 -14.016  -1.697  -1.904
  282    HE   ARG  30           HE       ARG  30 -11.872  -1.066  -0.396
  283   1HH1  ARG  30          1HH1      ARG  30 -14.425   0.836  -1.816
  284   2HH1  ARG  30          2HH1      ARG  30 -14.369   2.058  -0.589
  285   1HH2  ARG  30          1HH2      ARG  30 -11.793   0.535   1.220
  286   2HH2  ARG  30          2HH2      ARG  30 -12.872   1.888   1.136
  287    H    ALA  31           H        ALA  31  -9.929   0.391  -6.096
  288    HA   ALA  31           HA       ALA  31 -11.724   2.695  -5.708
  289   1HB   ALA  31          1HB       ALA  31  -8.711   2.628  -5.583
  290   2HB   ALA  31          2HB       ALA  31  -9.822   2.917  -4.244
  291   3HB   ALA  31          3HB       ALA  31  -9.689   4.096  -5.548
  292    H    ARG  32           H        ARG  32 -10.627   0.676  -7.969
  293    HA   ARG  32           HA       ARG  32 -10.167   2.714 -10.030
  294   1HB   ARG  32          2HB       ARG  32  -8.941   0.307  -9.600
  295   2HB   ARG  32          1HB       ARG  32 -10.157  -0.131 -10.789
  296   1HG   ARG  32          2HG       ARG  32  -7.939   0.467 -11.740
  297   2HG   ARG  32          1HG       ARG  32  -9.290   1.406 -12.375
  298   1HD   ARG  32          2HD       ARG  32  -8.699   3.181 -10.678
  299   2HD   ARG  32          1HD       ARG  32  -7.223   2.267 -10.360
  300    HE   ARG  32           HE       ARG  32  -6.362   3.319 -12.179
  301   1HH1  ARG  32          1HH1      ARG  32  -9.780   2.875 -12.751
  302   2HH1  ARG  32          2HH1      ARG  32  -9.732   3.590 -14.327
  303   1HH2  ARG  32          1HH2      ARG  32  -6.313   4.258 -14.251
  304   2HH2  ARG  32          2HH2      ARG  32  -7.770   4.374 -15.176
  305    H    ALA  33           H        ALA  33 -12.079  -0.264  -9.636
  306    HA   ALA  33           HA       ALA  33 -13.743   0.071 -11.803
  307   1HB   ALA  33          1HB       ALA  33 -13.603  -1.655  -9.586
  308   2HB   ALA  33          2HB       ALA  33 -14.538  -1.859 -11.068
  309   3HB   ALA  33          3HB       ALA  33 -15.262  -1.063  -9.671
  310    H    LYS  34           H        LYS  34 -13.683   2.001  -8.960
  311    HA   LYS  34           HA       LYS  34 -16.424   2.720  -8.944
  312   1HB   LYS  34          2HB       LYS  34 -15.022   4.955  -7.988
  313   2HB   LYS  34          1HB       LYS  34 -15.824   3.713  -7.046
  314   1HG   LYS  34          2HG       LYS  34 -13.875   2.684  -6.488
  315   2HG   LYS  34          1HG       LYS  34 -13.039   3.175  -7.964
  316   1HD   LYS  34          2HD       LYS  34 -12.072   4.413  -6.184
  317   2HD   LYS  34          1HD       LYS  34 -13.098   5.532  -7.082
  318   1HE   LYS  34          2HE       LYS  34 -14.904   4.830  -5.336
  319   2HE   LYS  34          1HE       LYS  34 -13.511   4.331  -4.378
  320   1HZ   LYS  34          1HZ       LYS  34 -14.546   6.837  -4.476
  321   2HZ   LYS  34          2HZ       LYS  34 -13.215   6.948  -5.514
  322   3HZ   LYS  34          3HZ       LYS  34 -12.999   6.435  -3.918
  323    H    TRP  35           H        TRP  35 -13.571   4.335 -10.292
  324    HA   TRP  35           HA       TRP  35 -15.313   6.108 -11.827
  325   1HB   TRP  35          2HB       TRP  35 -13.125   7.213 -12.437
  326   2HB   TRP  35          1HB       TRP  35 -13.537   7.270 -10.726
  327    HD1  TRP  35           HD       TRP  35 -11.795   4.457 -12.731
  328    HE1  TRP  35           1HE      TRP  35  -9.564   3.984 -11.627
  329    HE3  TRP  35           3HE      TRP  35 -11.906   8.011  -9.066
  330    HZ2  TRP  35           2HZ      TRP  35  -8.004   4.943  -9.477
  331    HZ3  TRP  35           3HZ      TRP  35 -10.002   8.159  -7.517
  332    HH2  TRP  35           HH       TRP  35  -8.093   6.653  -7.717
  333    H    ASP  36           H        ASP  36 -13.797   3.186 -12.115
  334    HA   ASP  36           HA       ASP  36 -13.328   3.419 -14.993
  335   1HB   ASP  36          2HB       ASP  36 -11.867   2.200 -12.977
  336   2HB   ASP  36          1HB       ASP  36 -12.700   0.848 -13.750
  Start of MODEL   13
    1   1H    MET   1          1HT       MET   1  15.506  -5.901  -3.318
    2   2H    MET   1          2HT       MET   1  14.631  -4.725  -4.165
    3   3H    MET   1          3HT       MET   1  14.182  -5.140  -2.588
    4    HA   MET   1           HA       MET   1  16.683  -3.785  -3.398
    5   1HB   MET   1          2HB       MET   1  14.265  -2.824  -1.872
    6   2HB   MET   1          1HB       MET   1  15.731  -1.890  -2.136
    7   1HG   MET   1          2HG       MET   1  13.883  -2.898  -4.286
    8   2HG   MET   1          1HG       MET   1  13.951  -1.248  -3.672
    9   1HE   MET   1          1HE       MET   1  16.530  -0.668  -3.070
   10   2HE   MET   1          2HE       MET   1  16.776   0.351  -4.490
   11   3HE   MET   1          3HE       MET   1  17.880  -0.984  -4.161
   12    H    TRP   2           H        TRP   2  15.218  -3.187  -0.376
   13    HA   TRP   2           HA       TRP   2  17.304  -4.746   0.984
   14   1HB   TRP   2          2HB       TRP   2  16.244  -2.579   2.534
   15   2HB   TRP   2          1HB       TRP   2  17.904  -2.838   2.011
   16    HD1  TRP   2           HD       TRP   2  18.771  -1.285   0.106
   17    HE1  TRP   2           1HE      TRP   2  17.730   0.646  -1.243
   18    HE3  TRP   2           3HE      TRP   2  13.870  -1.852   1.474
   19    HZ2  TRP   2           2HZ      TRP   2  15.157   1.758  -1.623
   20    HZ3  TRP   2           3HZ      TRP   2  12.217  -0.288   0.553
   21    HH2  TRP   2           HH       TRP   2  12.868   1.470  -0.959
   22    H    LYS   3           H        LYS   3  14.686  -2.964   2.470
   23    HA   LYS   3           HA       LYS   3  13.704  -5.399   3.749
   24   1HB   LYS   3          2HB       LYS   3  12.672  -4.011   5.311
   25   2HB   LYS   3          1HB       LYS   3  14.155  -3.137   4.961
   26   1HG   LYS   3          2HG       LYS   3  11.824  -2.444   3.302
   27   2HG   LYS   3          1HG       LYS   3  11.678  -2.057   5.013
   28   1HD   LYS   3          2HD       LYS   3  13.613  -0.667   4.943
   29   2HD   LYS   3          1HD       LYS   3  14.019  -1.215   3.315
   30   1HE   LYS   3          2HE       LYS   3  12.281  -0.013   2.330
   31   2HE   LYS   3          1HE       LYS   3  11.382   0.086   3.846
   32   1HZ   LYS   3          1HZ       LYS   3  13.830   1.381   4.205
   33   2HZ   LYS   3          2HZ       LYS   3  12.279   2.052   4.217
   34   3HZ   LYS   3          3HZ       LYS   3  13.148   1.958   2.770
   35    H    VAL   4           H        VAL   4  13.048  -3.145   1.342
   36    HA   VAL   4           HA       VAL   4  10.448  -2.900   1.034
   37    HB   VAL   4           HB       VAL   4  12.422  -2.196  -0.510
   38   1HG1  VAL   4          1HG1      VAL   4  11.480  -4.771  -1.761
   39   2HG1  VAL   4          2HG1      VAL   4  13.131  -4.274  -1.382
   40   3HG1  VAL   4          3HG1      VAL   4  12.258  -3.493  -2.701
   41   1HG2  VAL   4          1HG2      VAL   4  10.833  -1.124  -1.623
   42   2HG2  VAL   4          2HG2      VAL   4   9.664  -2.066  -0.697
   43   3HG2  VAL   4          3HG2      VAL   4  10.182  -2.620  -2.290
   44    H    GLY   5           H        GLY   5  12.239  -5.766  -0.138
   45   1HA   GLY   5          2HA       GLY   5  10.387  -7.137  -1.459
   46   2HA   GLY   5          1HA       GLY   5  11.431  -7.954  -0.300
   47    H    PHE   6           H        PHE   6  10.302  -6.755   2.032
   48    HA   PHE   6           HA       PHE   6   7.599  -7.851   1.881
   49   1HB   PHE   6          2HB       PHE   6   7.979  -8.399   4.383
   50   2HB   PHE   6          1HB       PHE   6   8.690  -9.462   3.173
   51    HD1  PHE   6           1HD      PHE   6  11.098  -9.433   2.759
   52    HD2  PHE   6           2HD      PHE   6   9.336  -7.037   5.803
   53    HE1  PHE   6           1HE      PHE   6  13.316  -9.088   3.765
   54    HE2  PHE   6           2HE      PHE   6  11.552  -6.687   6.815
   55    HZ   PHE   6           HZ       PHE   6  13.546  -7.713   5.795
   56    H    PHE   7           H        PHE   7   9.130  -5.081   2.045
   57    HA   PHE   7           HA       PHE   7   7.593  -3.949   4.218
   58   1HB   PHE   7          2HB       PHE   7  10.105  -3.493   3.537
   59   2HB   PHE   7          1HB       PHE   7   9.323  -2.220   2.609
   60    HD1  PHE   7           1HD      PHE   7   8.666  -3.657   5.980
   61    HD2  PHE   7           2HD      PHE   7   9.563  -0.228   3.639
   62    HE1  PHE   7           1HE      PHE   7   8.464  -2.249   7.982
   63    HE2  PHE   7           2HE      PHE   7   9.389   1.194   5.633
   64    HZ   PHE   7           HZ       PHE   7   8.812   0.170   7.804
   65    H    LYS   8           H        LYS   8   7.937  -3.624   0.794
   66    HA   LYS   8           HA       LYS   8   6.299  -1.378   0.462
   67   1HB   LYS   8          2HB       LYS   8   6.062  -2.568  -1.907
   68   2HB   LYS   8          1HB       LYS   8   7.551  -1.794  -1.342
   69   1HG   LYS   8          2HG       LYS   8   8.528  -3.695  -1.852
   70   2HG   LYS   8          1HG       LYS   8   7.883  -4.233  -0.333
   71   1HD   LYS   8          2HD       LYS   8   7.292  -5.131  -3.027
   72   2HD   LYS   8          1HD       LYS   8   7.102  -5.940  -1.465
   73   1HE   LYS   8          2HE       LYS   8   4.985  -4.874  -1.115
   74   2HE   LYS   8          1HE       LYS   8   5.197  -3.854  -2.537
   75   1HZ   LYS   8          1HZ       LYS   8   4.158  -6.492  -2.354
   76   2HZ   LYS   8          2HZ       LYS   8   5.456  -6.438  -3.437
   77   3HZ   LYS   8          3HZ       LYS   8   4.126  -5.418  -3.662
   78    H    ARG   9           H        ARG   9   5.643  -4.725   0.945
   79    HA   ARG   9           HA       ARG   9   2.814  -4.324   0.404
   80   1HB   ARG   9          2HB       ARG   9   2.663  -6.562  -0.008
   81   2HB   ARG   9          1HB       ARG   9   4.401  -6.439  -0.207
   82   1HG   ARG   9          2HG       ARG   9   3.748  -6.852   2.560
   83   2HG   ARG   9          1HG       ARG   9   2.991  -8.086   1.552
   84   1HD   ARG   9          2HD       ARG   9   5.607  -7.738   0.576
   85   2HD   ARG   9          1HD       ARG   9   5.732  -7.809   2.333
   86    HE   ARG   9           HE       ARG   9   4.832  -9.989   2.284
   87   1HH1  ARG   9          1HH1      ARG   9   5.281  -8.630  -0.894
   88   2HH1  ARG   9          2HH1      ARG   9   5.184 -10.160  -1.701
   89   1HH2  ARG   9          1HH2      ARG   9   4.708 -12.006   1.227
   90   2HH2  ARG   9          2HH2      ARG   9   4.858 -12.077  -0.497
   91    H    ASN  10           H        ASN  10   4.785  -3.565   2.613
   92    HA   ASN  10           HA       ASN  10   3.199  -4.366   4.953
   93   1HB   ASN  10          2HB       ASN  10   6.043  -4.217   4.348
   94   2HB   ASN  10          1HB       ASN  10   5.636  -3.345   5.808
   95   1HD2  ASN  10          1HD2      ASN  10   7.015  -5.031   6.769
   96   2HD2  ASN  10          2HD2      ASN  10   6.278  -6.521   7.238
   97    H    ARG  11           H        ARG  11   5.651  -1.905   4.872
   98    HA   ARG  11           HA       ARG  11   5.666   0.308   5.292
   99   1HB   ARG  11          2HB       ARG  11   4.292   0.374   3.220
  100   2HB   ARG  11          1HB       ARG  11   2.854   0.302   4.226
  101   1HG   ARG  11          2HG       ARG  11   2.943   2.540   4.025
  102   2HG   ARG  11          1HG       ARG  11   4.090   2.393   5.359
  103   1HD   ARG  11          2HD       ARG  11   4.900   2.368   2.462
  104   2HD   ARG  11          1HD       ARG  11   4.838   3.833   3.438
  105    HE   ARG  11           HE       ARG  11   6.703   1.585   3.804
  106   1HH1  ARG  11          1HH1      ARG  11   5.656   4.823   4.584
  107   2HH1  ARG  11          2HH1      ARG  11   7.136   5.250   5.375
  108   1HH2  ARG  11          1HH2      ARG  11   8.659   2.154   4.833
  109   2HH2  ARG  11          2HH2      ARG  11   8.841   3.733   5.518
  110   1H    LYS  12          1HT       LYS  12  17.090   4.309  -0.829
  111   2H    LYS  12          2HT       LYS  12  16.006   5.606  -0.858
  112   3H    LYS  12          3HT       LYS  12  15.809   4.317  -1.935
  113    HA   LYS  12           HA       LYS  12  14.803   3.024  -0.467
  114   1HB   LYS  12          2HB       LYS  12  16.962   2.888   0.791
  115   2HB   LYS  12          1HB       LYS  12  16.404   4.239   1.770
  116   1HG   LYS  12          2HG       LYS  12  14.287   2.664   2.086
  117   2HG   LYS  12          1HG       LYS  12  15.498   1.415   1.739
  118   1HD   LYS  12          2HD       LYS  12  16.759   3.110   3.512
  119   2HD   LYS  12          1HD       LYS  12  15.111   3.014   4.126
  120   1HE   LYS  12          2HE       LYS  12  15.254   0.570   4.089
  121   2HE   LYS  12          1HE       LYS  12  16.911   0.676   3.494
  122   1HZ   LYS  12          1HZ       LYS  12  16.222   0.511   6.088
  123   2HZ   LYS  12          2HZ       LYS  12  16.417   2.182   5.904
  124   3HZ   LYS  12          3HZ       LYS  12  17.690   1.135   5.524
  125    H    LEU  13           H        LEU  13  14.178   5.880  -1.094
  126    HA   LEU  13           HA       LEU  13  12.300   6.242   1.128
  127   1HB   LEU  13          2HB       LEU  13  13.396   8.385  -0.697
  128   2HB   LEU  13          1HB       LEU  13  12.280   8.634   0.633
  129    HG   LEU  13           HG       LEU  13  14.245   9.246   1.642
  130   1HD1  LEU  13          1HD1      LEU  13  14.289   6.241   2.063
  131   2HD1  LEU  13          2HD1      LEU  13  13.298   7.407   2.954
  132   3HD1  LEU  13          3HD1      LEU  13  15.053   7.462   3.092
  133   1HD2  LEU  13          1HD2      LEU  13  15.415   7.902  -0.544
  134   2HD2  LEU  13          2HD2      LEU  13  16.166   7.269   0.921
  135   3HD2  LEU  13          3HD2      LEU  13  16.183   9.003   0.601
  136    H    LEU  14           H        LEU  14  12.453   4.913  -1.685
  137    HA   LEU  14           HA       LEU  14  10.273   6.051  -3.142
  138   1HB   LEU  14          2HB       LEU  14  10.320   3.770  -4.292
  139   2HB   LEU  14          1HB       LEU  14  11.764   4.755  -4.429
  140    HG   LEU  14           HG       LEU  14  11.770   2.851  -2.166
  141   1HD1  LEU  14          1HD1      LEU  14  12.018   0.889  -3.396
  142   2HD1  LEU  14          2HD1      LEU  14  12.201   1.754  -4.923
  143   3HD1  LEU  14          3HD1      LEU  14  10.623   1.674  -4.138
  144   1HD2  LEU  14          1HD2      LEU  14  14.056   2.640  -2.742
  145   2HD2  LEU  14          2HD2      LEU  14  13.656   4.348  -2.933
  146   3HD2  LEU  14          3HD2      LEU  14  13.790   3.310  -4.351
  147    H    ILE  15           H        ILE  15  10.670   4.210  -0.390
  148    HA   ILE  15           HA       ILE  15   8.218   2.732  -0.422
  149    HB   ILE  15           HB       ILE  15  10.013   3.363   1.928
  150   1HG1  ILE  15          2HG1      ILE  15  11.351   2.430   0.145
  151   2HG1  ILE  15          1HG1      ILE  15  11.136   1.234   1.420
  152   1HG2  ILE  15          1HG2      ILE  15   8.470   0.831   1.580
  153   2HG2  ILE  15          2HG2      ILE  15   7.636   2.277   2.156
  154   3HG2  ILE  15          3HG2      ILE  15   9.002   1.627   3.063
  155   1HD1  ILE  15          1HD1      ILE  15   9.567   0.022   0.135
  156   2HD1  ILE  15          2HD1      ILE  15  10.939   0.374  -0.916
  157   3HD1  ILE  15          3HD1      ILE  15   9.453   1.313  -1.063
  158    H    THR  16           H        THR  16   8.548   5.868  -0.465
  159    HA   THR  16           HA       THR  16   6.783   6.533   1.768
  160    HB   THR  16           HB       THR  16   8.236   8.292  -0.218
  161    HG1  THR  16           1HG      THR  16   9.204   8.848   2.002
  162   1HG2  THR  16          1HG2      THR  16   6.728   9.122   2.249
  163   2HG2  THR  16          2HG2      THR  16   6.201   9.389   0.587
  164   3HG2  THR  16          3HG2      THR  16   7.665  10.169   1.184
  165    H    ILE  17           H        ILE  17   6.900   6.646  -1.774
  166    HA   ILE  17           HA       ILE  17   3.995   7.135  -1.749
  167    HB   ILE  17           HB       ILE  17   5.784   8.855  -2.802
  168   1HG1  ILE  17          2HG1      ILE  17   3.333   9.160  -2.478
  169   2HG1  ILE  17          1HG1      ILE  17   3.934   9.867  -3.973
  170   1HG2  ILE  17          1HG2      ILE  17   5.107   6.921  -4.994
  171   2HG2  ILE  17          2HG2      ILE  17   6.691   7.530  -4.510
  172   3HG2  ILE  17          3HG2      ILE  17   5.547   8.600  -5.321
  173   1HD1  ILE  17          1HD1      ILE  17   3.168   7.719  -5.100
  174   2HD1  ILE  17          2HD1      ILE  17   1.921   8.836  -4.547
  175   3HD1  ILE  17          3HD1      ILE  17   2.289   7.391  -3.607
  176    H    HIS  18           H        HIS  18   6.648   5.396  -3.320
  177    HA   HIS  18           HA       HIS  18   5.048   4.060  -5.227
  178   1HB   HIS  18          2HB       HIS  18   7.055   3.420  -5.960
  179   2HB   HIS  18          1HB       HIS  18   7.794   4.125  -4.530
  180    HD1  HIS  18           1HD      HIS  18   7.592   2.301  -2.353
  181    HD2  HIS  18           2HD      HIS  18   7.715   0.833  -6.238
  182    HE1  HIS  18           1HE      HIS  18   8.327  -0.095  -2.144
  183    HE2  HIS  18           2HE      HIS  18   8.502  -0.927  -4.515
  184    H    ASP  19           H        ASP  19   5.627   3.560  -1.872
  185    HA   ASP  19           HA       ASP  19   4.814   0.836  -1.727
  186   1HB   ASP  19          2HB       ASP  19   6.119   2.288  -0.004
  187   2HB   ASP  19          1HB       ASP  19   4.521   2.790   0.536
  188    H    ARG  20           H        ARG  20   3.177   3.825  -2.038
  189    HA   ARG  20           HA       ARG  20   0.664   2.931  -0.967
  190   1HB   ARG  20          2HB       ARG  20   1.798   5.406  -1.953
  191   2HB   ARG  20          1HB       ARG  20   0.164   5.158  -2.552
  192   1HG   ARG  20          2HG       ARG  20  -0.068   6.378  -0.561
  193   2HG   ARG  20          1HG       ARG  20  -0.502   4.718  -0.149
  194   1HD   ARG  20          2HD       ARG  20   2.340   5.454   0.178
  195   2HD   ARG  20          1HD       ARG  20   1.205   6.211   1.295
  196    HE   ARG  20           HE       ARG  20   1.953   3.422   1.187
  197   1HH1  ARG  20          1HH1      ARG  20  -0.362   5.767   2.324
  198   2HH1  ARG  20          2HH1      ARG  20  -0.960   4.751   3.593
  199   1HH2  ARG  20          1HH2      ARG  20   1.172   2.079   2.854
  200   2HH2  ARG  20          2HH2      ARG  20  -0.087   2.654   3.895
  201    H    LYS  21           H        LYS  21   2.320   2.318  -3.768
  202    HA   LYS  21           HA       LYS  21  -0.159   1.816  -5.274
  203   1HB   LYS  21          2HB       LYS  21   2.155   1.659  -6.952
  204   2HB   LYS  21          1HB       LYS  21   0.788   2.762  -7.064
  205   1HG   LYS  21          2HG       LYS  21   1.868   4.434  -5.930
  206   2HG   LYS  21          1HG       LYS  21   2.941   3.317  -5.080
  207   1HD   LYS  21          2HD       LYS  21   4.509   3.552  -6.642
  208   2HD   LYS  21          1HD       LYS  21   3.365   3.122  -7.915
  209   1HE   LYS  21          2HE       LYS  21   3.069   5.259  -8.527
  210   2HE   LYS  21          1HE       LYS  21   2.994   5.820  -6.857
  211   1HZ   LYS  21          1HZ       LYS  21   5.405   5.735  -6.756
  212   2HZ   LYS  21          2HZ       LYS  21   4.900   6.741  -8.018
  213   3HZ   LYS  21          3HZ       LYS  21   5.479   5.189  -8.356
  214    H    GLU  22           H        GLU  22   2.863   0.531  -4.139
  215    HA   GLU  22           HA       GLU  22   2.963  -1.867  -5.546
  216   1HB   GLU  22          2HB       GLU  22   4.026  -0.847  -2.955
  217   2HB   GLU  22          1HB       GLU  22   4.122  -2.569  -3.268
  218   1HG   GLU  22          2HG       GLU  22   5.024  -0.952  -5.506
  219   2HG   GLU  22          1HG       GLU  22   5.951  -0.682  -4.024
  220    H    PHE  23           H        PHE  23   0.743  -0.760  -3.267
  221    HA   PHE  23           HA       PHE  23  -0.237  -3.491  -2.772
  222   1HB   PHE  23          2HB       PHE  23   0.651  -2.197  -0.775
  223   2HB   PHE  23          1HB       PHE  23  -0.715  -1.112  -0.983
  224    HD1  PHE  23           1HD      PHE  23   0.062  -4.732  -0.560
  225    HD2  PHE  23           2HD      PHE  23  -2.688  -1.553   0.106
  226    HE1  PHE  23           1HE      PHE  23  -1.348  -6.238   0.781
  227    HE2  PHE  23           2HE      PHE  23  -4.103  -3.051   1.447
  228    HZ   PHE  23           HZ       PHE  23  -3.434  -5.397   1.788
  229    H    ALA  24           H        ALA  24  -1.255  -0.088  -3.039
  230    HA   ALA  24           HA       ALA  24  -4.000  -0.821  -3.465
  231   1HB   ALA  24          1HB       ALA  24  -3.987   1.197  -2.449
  232   2HB   ALA  24          2HB       ALA  24  -3.994   1.766  -4.119
  233   3HB   ALA  24          3HB       ALA  24  -2.481   1.702  -3.216
  234    H    LYS  25           H        LYS  25  -2.392  -2.068  -5.344
  235    HA   LYS  25           HA       LYS  25  -2.486  -0.681  -7.862
  236   1HB   LYS  25          2HB       LYS  25  -2.152  -3.164  -8.664
  237   2HB   LYS  25          1HB       LYS  25  -0.839  -2.323  -7.849
  238   1HG   LYS  25          2HG       LYS  25  -0.748  -4.022  -6.425
  239   2HG   LYS  25          1HG       LYS  25  -2.311  -3.483  -5.785
  240   1HD   LYS  25          2HD       LYS  25  -2.246  -5.892  -6.433
  241   2HD   LYS  25          1HD       LYS  25  -3.488  -4.958  -7.264
  242   1HE   LYS  25          2HE       LYS  25  -2.052  -6.623  -8.623
  243   2HE   LYS  25          1HE       LYS  25  -2.359  -5.021  -9.290
  244   1HZ   LYS  25          1HZ       LYS  25   0.053  -5.451  -7.670
  245   2HZ   LYS  25          2HZ       LYS  25  -0.209  -4.363  -8.939
  246   3HZ   LYS  25          3HZ       LYS  25   0.035  -6.004  -9.270
  247    H    PHE  26           H        PHE  26  -4.116  -3.475  -6.498
  248    HA   PHE  26           HA       PHE  26  -6.520  -2.923  -8.103
  249   1HB   PHE  26          2HB       PHE  26  -5.686  -5.024  -8.827
  250   2HB   PHE  26          1HB       PHE  26  -5.230  -5.482  -7.192
  251    HD1  PHE  26           1HD      PHE  26  -8.156  -4.880  -9.380
  252    HD2  PHE  26           2HD      PHE  26  -6.662  -6.732  -5.854
  253    HE1  PHE  26           1HE      PHE  26 -10.279  -6.099  -9.128
  254    HE2  PHE  26           2HE      PHE  26  -8.783  -7.956  -5.593
  255    HZ   PHE  26           HZ       PHE  26 -10.594  -7.638  -7.231
  256    H    GLU  27           H        GLU  27  -5.024  -3.122  -5.132
  257    HA   GLU  27           HA       GLU  27  -7.028  -3.910  -3.364
  258   1HB   GLU  27          2HB       GLU  27  -4.461  -2.482  -3.268
  259   2HB   GLU  27          1HB       GLU  27  -5.548  -2.104  -1.954
  260   1HG   GLU  27          2HG       GLU  27  -4.443  -4.781  -2.718
  261   2HG   GLU  27          1HG       GLU  27  -4.153  -3.870  -1.233
  262    H    GLU  28           H        GLU  28  -6.450  -0.901  -5.030
  263    HA   GLU  28           HA       GLU  28  -8.147   0.713  -3.401
  264   1HB   GLU  28          2HB       GLU  28  -7.929   2.387  -5.128
  265   2HB   GLU  28          1HB       GLU  28  -6.360   1.634  -4.873
  266   1HG   GLU  28          2HG       GLU  28  -6.603   0.324  -6.871
  267   2HG   GLU  28          1HG       GLU  28  -8.258   0.893  -7.088
  268    H    GLU  29           H        GLU  29  -8.802  -1.829  -5.343
  269    HA   GLU  29           HA       GLU  29 -11.506  -0.862  -5.995
  270   1HB   GLU  29          2HB       GLU  29 -10.238  -3.141  -7.458
  271   2HB   GLU  29          1HB       GLU  29 -11.481  -2.020  -8.005
  272   1HG   GLU  29          2HG       GLU  29  -8.933  -0.734  -7.415
  273   2HG   GLU  29          1HG       GLU  29  -8.835  -1.946  -8.693
  274    H    ARG  30           H        ARG  30  -9.828  -2.790  -3.942
  275    HA   ARG  30           HA       ARG  30 -11.977  -4.798  -3.794
  276   1HB   ARG  30          2HB       ARG  30  -9.279  -5.229  -4.045
  277   2HB   ARG  30          1HB       ARG  30  -9.514  -5.371  -2.308
  278   1HG   ARG  30          2HG       ARG  30 -11.258  -6.854  -4.241
  279   2HG   ARG  30          1HG       ARG  30  -9.692  -7.487  -3.734
  280   1HD   ARG  30          2HD       ARG  30 -11.584  -6.562  -1.636
  281   2HD   ARG  30          1HD       ARG  30 -11.922  -8.091  -2.446
  282    HE   ARG  30           HE       ARG  30  -9.927  -8.977  -1.548
  283   1HH1  ARG  30          1HH1      ARG  30 -10.577  -5.722  -0.486
  284   2HH1  ARG  30          2HH1      ARG  30  -9.489  -5.807   0.859
  285   1HH2  ARG  30          1HH2      ARG  30  -8.493  -9.096   0.221
  286   2HH2  ARG  30          2HH2      ARG  30  -8.306  -7.725   1.261
  287    H    ALA  31           H        ALA  31  -9.756  -2.900  -1.747
  288    HA   ALA  31           HA       ALA  31 -11.710  -3.155   0.438
  289   1HB   ALA  31          1HB       ALA  31  -8.882  -2.311   0.898
  290   2HB   ALA  31          2HB       ALA  31  -9.266  -4.015   0.660
  291   3HB   ALA  31          3HB       ALA  31 -10.002  -3.123   1.991
  292    H    ARG  32           H        ARG  32 -10.621  -1.004  -1.841
  293    HA   ARG  32           HA       ARG  32 -10.906   1.351  -0.133
  294   1HB   ARG  32          2HB       ARG  32  -9.391   0.795  -2.421
  295   2HB   ARG  32          1HB       ARG  32 -10.645   1.903  -2.958
  296   1HG   ARG  32          2HG       ARG  32  -8.566   3.032  -2.251
  297   2HG   ARG  32          1HG       ARG  32  -9.986   3.541  -1.337
  298   1HD   ARG  32          2HD       ARG  32  -9.138   1.536   0.231
  299   2HD   ARG  32          1HD       ARG  32  -7.595   2.036  -0.463
  300    HE   ARG  32           HE       ARG  32  -9.157   3.458   1.465
  301   1HH1  ARG  32          1HH1      ARG  32  -6.877   3.825  -1.146
  302   2HH1  ARG  32          2HH1      ARG  32  -6.278   5.348  -0.578
  303   1HH2  ARG  32          1HH2      ARG  32  -8.386   5.467   2.208
  304   2HH2  ARG  32          2HH2      ARG  32  -7.132   6.279   1.332
  305    H    ALA  33           H        ALA  33 -12.265   0.231  -3.229
  306    HA   ALA  33           HA       ALA  33 -14.285   2.087  -3.418
  307   1HB   ALA  33          1HB       ALA  33 -13.692   0.595  -5.239
  308   2HB   ALA  33          2HB       ALA  33 -15.422   0.512  -4.906
  309   3HB   ALA  33          3HB       ALA  33 -14.355  -0.778  -4.353
  310    H    LYS  34           H        LYS  34 -14.061  -0.420  -1.086
  311    HA   LYS  34           HA       LYS  34 -16.854  -0.814  -0.710
  312   1HB   LYS  34          2HB       LYS  34 -15.621  -1.210   1.791
  313   2HB   LYS  34          1HB       LYS  34 -16.145  -2.429   0.647
  314   1HG   LYS  34          2HG       LYS  34 -14.025  -2.782  -0.154
  315   2HG   LYS  34          1HG       LYS  34 -13.449  -1.177   0.308
  316   1HD   LYS  34          2HD       LYS  34 -12.453  -2.450   1.933
  317   2HD   LYS  34          1HD       LYS  34 -13.975  -2.052   2.735
  318   1HE   LYS  34          2HE       LYS  34 -14.504  -4.206   2.882
  319   2HE   LYS  34          1HE       LYS  34 -14.319  -4.405   1.140
  320   1HZ   LYS  34          1HZ       LYS  34 -12.751  -5.536   3.057
  321   2HZ   LYS  34          2HZ       LYS  34 -11.806  -4.249   2.499
  322   3HZ   LYS  34          3HZ       LYS  34 -12.372  -5.415   1.413
  323    H    TRP  35           H        TRP  35 -14.474   1.102   1.099
  324    HA   TRP  35           HA       TRP  35 -16.623   2.575   2.397
  325   1HB   TRP  35          2HB       TRP  35 -14.712   3.658   3.635
  326   2HB   TRP  35          1HB       TRP  35 -14.856   1.920   3.874
  327    HD1  TRP  35           HD       TRP  35 -13.113   3.859   1.017
  328    HE1  TRP  35           1HE      TRP  35 -10.689   3.109   0.929
  329    HE3  TRP  35           3HE      TRP  35 -13.089   0.658   5.004
  330    HZ2  TRP  35           2HZ      TRP  35  -8.944   1.378   2.332
  331    HZ3  TRP  35           3HZ      TRP  35 -10.998  -0.515   5.556
  332    HH2  TRP  35           HH       TRP  35  -8.972  -0.164   4.242
  333    H    ASP  36           H        ASP  36 -14.898   2.750  -0.404
  334    HA   ASP  36           HA       ASP  36 -15.044   5.686  -0.528
  335   1HB   ASP  36          2HB       ASP  36 -12.998   3.802  -1.304
  336   2HB   ASP  36          1HB       ASP  36 -13.539   4.720  -2.713
  Start of MODEL   14
    1   1H    MET   1          1HT       MET   1  15.352  -6.301  -3.523
    2   2H    MET   1          2HT       MET   1  14.233  -5.212  -4.174
    3   3H    MET   1          3HT       MET   1  14.098  -5.698  -2.559
    4    HA   MET   1           HA       MET   1  16.395  -4.184  -3.650
    5   1HB   MET   1          2HB       MET   1  13.979  -3.227  -2.109
    6   2HB   MET   1          1HB       MET   1  15.386  -2.244  -2.484
    7   1HG   MET   1          2HG       MET   1  13.493  -3.464  -4.480
    8   2HG   MET   1          1HG       MET   1  13.552  -1.772  -3.998
    9   1HE   MET   1          1HE       MET   1  16.104  -1.046  -3.583
   10   2HE   MET   1          2HE       MET   1  16.104  -0.108  -5.079
   11   3HE   MET   1          3HE       MET   1  17.387  -1.281  -4.773
   12    H    TRP   2           H        TRP   2  15.018  -3.397  -0.634
   13    HA   TRP   2           HA       TRP   2  17.178  -4.798   0.784
   14   1HB   TRP   2          2HB       TRP   2  16.201  -2.488   2.162
   15   2HB   TRP   2          1HB       TRP   2  17.830  -2.784   1.558
   16    HD1  TRP   2           HD       TRP   2  18.531  -1.439  -0.601
   17    HE1  TRP   2           1HE      TRP   2  17.344   0.324  -2.061
   18    HE3  TRP   2           3HE      TRP   2  13.808  -1.859   1.281
   19    HZ2  TRP   2           2HZ      TRP   2  14.709   1.385  -2.316
   20    HZ3  TRP   2           3HZ      TRP   2  12.060  -0.429   0.372
   21    HH2  TRP   2           HH       TRP   2  12.502   1.149  -1.399
   22    H    LYS   3           H        LYS   3  14.580  -2.866   2.139
   23    HA   LYS   3           HA       LYS   3  13.620  -5.174   3.662
   24   1HB   LYS   3          2HB       LYS   3  12.521  -3.615   5.079
   25   2HB   LYS   3          1HB       LYS   3  14.110  -2.926   4.773
   26   1HG   LYS   3          2HG       LYS   3  12.026  -2.085   2.890
   27   2HG   LYS   3          1HG       LYS   3  11.732  -1.614   4.562
   28   1HD   LYS   3          2HD       LYS   3  13.874  -0.496   4.665
   29   2HD   LYS   3          1HD       LYS   3  14.270  -1.067   3.045
   30   1HE   LYS   3          2HE       LYS   3  13.578   1.223   2.921
   31   2HE   LYS   3          1HE       LYS   3  12.376   0.196   2.137
   32   1HZ   LYS   3          1HZ       LYS   3  12.015   2.035   4.219
   33   2HZ   LYS   3          2HZ       LYS   3  11.688   0.497   4.842
   34   3HZ   LYS   3          3HZ       LYS   3  10.851   1.054   3.482
   35    H    VAL   4           H        VAL   4  12.922  -3.134   1.093
   36    HA   VAL   4           HA       VAL   4  10.327  -2.869   0.786
   37    HB   VAL   4           HB       VAL   4  12.429  -2.541  -0.818
   38   1HG1  VAL   4          1HG1      VAL   4  11.811  -3.830  -2.955
   39   2HG1  VAL   4          2HG1      VAL   4  10.961  -4.933  -1.868
   40   3HG1  VAL   4          3HG1      VAL   4  12.698  -4.684  -1.690
   41   1HG2  VAL   4          1HG2      VAL   4  10.034  -2.520  -2.434
   42   2HG2  VAL   4          2HG2      VAL   4  11.038  -1.181  -1.876
   43   3HG2  VAL   4          3HG2      VAL   4   9.768  -1.825  -0.836
   44    H    GLY   5           H        GLY   5  12.061  -5.864  -0.091
   45   1HA   GLY   5          2HA       GLY   5  10.063  -7.290  -1.222
   46   2HA   GLY   5          1HA       GLY   5  11.263  -8.034  -0.167
   47    H    PHE   6           H        PHE   6  10.403  -6.653   2.197
   48    HA   PHE   6           HA       PHE   6   7.780  -7.900   2.517
   49   1HB   PHE   6          2HB       PHE   6   8.556  -8.032   5.021
   50   2HB   PHE   6          1HB       PHE   6   9.063  -9.264   3.872
   51    HD1  PHE   6           1HD      PHE   6  10.128  -6.299   5.764
   52    HD2  PHE   6           2HD      PHE   6  11.348  -9.503   3.243
   53    HE1  PHE   6           1HE      PHE   6  12.480  -5.830   6.313
   54    HE2  PHE   6           2HE      PHE   6  13.702  -9.040   3.785
   55    HZ   PHE   6           HZ       PHE   6  14.271  -7.202   5.322
   56    H    PHE   7           H        PHE   7   9.001  -5.063   2.034
   57    HA   PHE   7           HA       PHE   7   7.464  -3.742   4.151
   58   1HB   PHE   7          2HB       PHE   7  10.085  -3.326   3.456
   59   2HB   PHE   7          1HB       PHE   7   9.245  -2.034   2.600
   60    HD1  PHE   7           1HD      PHE   7   8.112  -3.455   5.811
   61    HD2  PHE   7           2HD      PHE   7  10.055  -0.215   3.863
   62    HE1  PHE   7           1HE      PHE   7   7.950  -2.128   7.872
   63    HE2  PHE   7           2HE      PHE   7   9.913   1.120   5.918
   64    HZ   PHE   7           HZ       PHE   7   8.853   0.165   7.934
   65    H    LYS   8           H        LYS   8   8.198  -3.488   0.663
   66    HA   LYS   8           HA       LYS   8   6.382  -1.423   0.207
   67   1HB   LYS   8          2HB       LYS   8   6.339  -2.382  -2.208
   68   2HB   LYS   8          1HB       LYS   8   7.807  -1.675  -1.541
   69   1HG   LYS   8          2HG       LYS   8   8.245  -3.671  -2.868
   70   2HG   LYS   8          1HG       LYS   8   8.777  -3.825  -1.206
   71   1HD   LYS   8          2HD       LYS   8   7.642  -5.824  -2.358
   72   2HD   LYS   8          1HD       LYS   8   7.174  -5.428  -0.711
   73   1HE   LYS   8          2HE       LYS   8   5.069  -4.906  -1.326
   74   2HE   LYS   8          1HE       LYS   8   5.594  -4.095  -2.803
   75   1HZ   LYS   8          1HZ       LYS   8   4.285  -6.391  -2.811
   76   2HZ   LYS   8          2HZ       LYS   8   5.863  -6.994  -2.742
   77   3HZ   LYS   8          3HZ       LYS   8   5.402  -5.977  -4.013
   78    H    ARG   9           H        ARG   9   5.818  -4.569   1.116
   79    HA   ARG   9           HA       ARG   9   3.039  -4.491   0.157
   80   1HB   ARG   9          2HB       ARG   9   3.436  -6.617  -0.456
   81   2HB   ARG   9          1HB       ARG   9   5.001  -6.608   0.336
   82   1HG   ARG   9          2HG       ARG   9   2.849  -6.856   2.253
   83   2HG   ARG   9          1HG       ARG   9   2.789  -8.123   1.028
   84   1HD   ARG   9          2HD       ARG   9   5.346  -8.309   1.497
   85   2HD   ARG   9          1HD       ARG   9   4.939  -7.494   3.006
   86    HE   ARG   9           HE       ARG   9   4.001 -10.149   2.169
   87   1HH1  ARG   9          1HH1      ARG   9   4.368  -7.688   4.608
   88   2HH1  ARG   9          2HH1      ARG   9   3.911  -8.730   5.913
   89   1HH2  ARG   9          1HH2      ARG   9   3.401 -11.532   3.884
   90   2HH2  ARG   9          2HH2      ARG   9   3.361 -10.914   5.503
   91    H    ASN  10           H        ASN  10   5.113  -4.228   2.818
   92    HA   ASN  10           HA       ASN  10   3.019  -4.718   4.796
   93   1HB   ASN  10          2HB       ASN  10   5.229  -5.719   5.179
   94   2HB   ASN  10          1HB       ASN  10   5.957  -4.112   5.150
   95   1HD2  ASN  10          1HD2      ASN  10   5.722  -2.772   6.912
   96   2HD2  ASN  10          2HD2      ASN  10   5.097  -3.315   8.429
   97    H    ARG  11           H        ARG  11   5.634  -2.387   5.058
   98    HA   ARG  11           HA       ARG  11   5.687  -0.185   5.585
   99   1HB   ARG  11          2HB       ARG  11   4.818   0.183   3.380
  100   2HB   ARG  11          1HB       ARG  11   3.188  -0.191   3.912
  101   1HG   ARG  11          2HG       ARG  11   2.893   1.995   4.163
  102   2HG   ARG  11          1HG       ARG  11   3.955   1.883   5.568
  103   1HD   ARG  11          2HD       ARG  11   4.893   2.384   2.747
  104   2HD   ARG  11          1HD       ARG  11   4.614   3.646   3.946
  105    HE   ARG  11           HE       ARG  11   6.625   1.514   4.280
  106   1HH1  ARG  11          1HH1      ARG  11   5.595   4.833   4.568
  107   2HH1  ARG  11          2HH1      ARG  11   7.075   5.362   5.298
  108   1HH2  ARG  11          1HH2      ARG  11   8.573   2.204   5.241
  109   2HH2  ARG  11          2HH2      ARG  11   8.766   3.868   5.680
  110   1H    LYS  12          1HT       LYS  12  15.085   4.827  -2.011
  111   2H    LYS  12          2HT       LYS  12  16.290   3.640  -1.996
  112   3H    LYS  12          3HT       LYS  12  16.392   4.962  -0.947
  113    HA   LYS  12           HA       LYS  12  14.537   2.685  -0.856
  114   1HB   LYS  12          2HB       LYS  12  16.775   2.548   0.234
  115   2HB   LYS  12          1HB       LYS  12  16.293   3.882   1.277
  116   1HG   LYS  12          2HG       LYS  12  14.199   2.246   1.671
  117   2HG   LYS  12          1HG       LYS  12  15.458   1.051   1.304
  118   1HD   LYS  12          2HD       LYS  12  15.521   1.314   3.635
  119   2HD   LYS  12          1HD       LYS  12  16.888   2.257   3.036
  120   1HE   LYS  12          2HE       LYS  12  14.477   3.840   3.156
  121   2HE   LYS  12          1HE       LYS  12  14.846   3.123   4.722
  122   1HZ   LYS  12          1HZ       LYS  12  16.766   4.299   4.916
  123   2HZ   LYS  12          2HZ       LYS  12  15.890   5.400   3.978
  124   3HZ   LYS  12          3HZ       LYS  12  17.034   4.390   3.248
  125    H    LEU  13           H        LEU  13  14.246   5.917  -0.907
  126    HA   LEU  13           HA       LEU  13  12.338   5.909   1.307
  127   1HB   LEU  13          2HB       LEU  13  13.702   8.123  -0.189
  128   2HB   LEU  13          1HB       LEU  13  12.263   8.433   0.761
  129    HG   LEU  13           HG       LEU  13  13.341   8.196   2.756
  130   1HD1  LEU  13          1HD1      LEU  13  14.111   5.766   1.962
  131   2HD1  LEU  13          2HD1      LEU  13  14.832   6.576   3.361
  132   3HD1  LEU  13          3HD1      LEU  13  15.665   6.600   1.808
  133   1HD2  LEU  13          1HD2      LEU  13  15.280   9.118   0.708
  134   2HD2  LEU  13          2HD2      LEU  13  15.870   8.848   2.347
  135   3HD2  LEU  13          3HD2      LEU  13  14.556   9.990   2.059
  136    H    LEU  14           H        LEU  14  12.281   4.930  -1.641
  137    HA   LEU  14           HA       LEU  14  10.062   6.293  -2.828
  138   1HB   LEU  14          2HB       LEU  14   9.963   4.093  -4.184
  139   2HB   LEU  14          1HB       LEU  14  11.360   5.131  -4.384
  140    HG   LEU  14           HG       LEU  14  11.606   2.996  -2.332
  141   1HD1  LEU  14          1HD1      LEU  14  10.400   2.072  -4.446
  142   2HD1  LEU  14          2HD1      LEU  14  11.781   1.207  -3.771
  143   3HD1  LEU  14          3HD1      LEU  14  11.989   2.229  -5.194
  144   1HD2  LEU  14          1HD2      LEU  14  13.779   3.393  -2.632
  145   2HD2  LEU  14          2HD2      LEU  14  13.290   4.792  -3.589
  146   3HD2  LEU  14          3HD2      LEU  14  13.645   3.259  -4.385
  147    H    ILE  15           H        ILE  15  10.524   4.223  -0.280
  148    HA   ILE  15           HA       ILE  15   8.136   2.688  -0.317
  149    HB   ILE  15           HB       ILE  15   9.873   3.439   2.032
  150   1HG1  ILE  15          2HG1      ILE  15  11.114   2.479   0.097
  151   2HG1  ILE  15          1HG1      ILE  15  11.194   1.507   1.564
  152   1HG2  ILE  15          1HG2      ILE  15   8.404   0.855   1.753
  153   2HG2  ILE  15          2HG2      ILE  15   7.535   2.292   2.305
  154   3HG2  ILE  15          3HG2      ILE  15   8.924   1.696   3.215
  155   1HD1  ILE  15          1HD1      ILE  15  10.244  -0.220   0.586
  156   2HD1  ILE  15          2HD1      ILE  15  10.536   0.615  -0.942
  157   3HD1  ILE  15          3HD1      ILE  15   8.972   0.765  -0.138
  158    H    THR  16           H        THR  16   8.577   5.919  -0.048
  159    HA   THR  16           HA       THR  16   6.466   6.362   1.921
  160    HB   THR  16           HB       THR  16   8.465   8.155   0.552
  161    HG1  THR  16           1HG      THR  16   9.394   7.984   2.404
  162   1HG2  THR  16          1HG2      THR  16   7.534  10.108   1.403
  163   2HG2  THR  16          2HG2      THR  16   6.389   9.232   2.420
  164   3HG2  THR  16          3HG2      THR  16   6.173   9.259   0.670
  165    H    ILE  17           H        ILE  17   7.125   6.473  -1.489
  166    HA   ILE  17           HA       ILE  17   4.354   7.340  -1.952
  167    HB   ILE  17           HB       ILE  17   6.848   8.287  -3.157
  168   1HG1  ILE  17          2HG1      ILE  17   5.478  10.247  -3.636
  169   2HG1  ILE  17          1HG1      ILE  17   4.012   9.343  -3.269
  170   1HG2  ILE  17          1HG2      ILE  17   4.723   7.122  -4.867
  171   2HG2  ILE  17          2HG2      ILE  17   6.468   7.228  -5.133
  172   3HG2  ILE  17          3HG2      ILE  17   5.448   8.649  -5.378
  173   1HD1  ILE  17          1HD1      ILE  17   4.521   9.267  -0.973
  174   2HD1  ILE  17          2HD1      ILE  17   4.833  10.924  -1.491
  175   3HD1  ILE  17          3HD1      ILE  17   6.177   9.809  -1.244
  176    H    HIS  18           H        HIS  18   7.008   5.568  -3.583
  177    HA   HIS  18           HA       HIS  18   5.475   4.152  -5.396
  178   1HB   HIS  18          2HB       HIS  18   7.540   3.503  -5.958
  179   2HB   HIS  18          1HB       HIS  18   8.168   4.069  -4.417
  180    HD1  HIS  18           1HD      HIS  18   8.038   2.239  -2.423
  181    HD2  HIS  18           2HD      HIS  18   7.639   0.816  -6.305
  182    HE1  HIS  18           1HE      HIS  18   8.507  -0.229  -2.284
  183    HE2  HIS  18           2HE      HIS  18   8.205  -1.079  -4.637
  184    H    ASP  19           H        ASP  19   5.633   3.850  -2.025
  185    HA   ASP  19           HA       ASP  19   4.795   1.131  -1.786
  186   1HB   ASP  19          2HB       ASP  19   5.478   3.354  -0.054
  187   2HB   ASP  19          1HB       ASP  19   4.086   2.469   0.553
  188    H    ARG  20           H        ARG  20   3.185   4.263  -1.818
  189    HA   ARG  20           HA       ARG  20   0.635   3.391  -1.035
  190   1HB   ARG  20          2HB       ARG  20  -0.046   5.539  -1.446
  191   2HB   ARG  20          1HB       ARG  20   1.693   5.802  -1.393
  192   1HG   ARG  20          2HG       ARG  20   1.175   5.150  -4.034
  193   2HG   ARG  20          1HG       ARG  20  -0.159   6.208  -3.561
  194   1HD   ARG  20          2HD       ARG  20   2.672   6.898  -2.879
  195   2HD   ARG  20          1HD       ARG  20   2.023   7.258  -4.481
  196    HE   ARG  20           HE       ARG  20   1.077   8.408  -1.944
  197   1HH1  ARG  20          1HH1      ARG  20   1.183   8.400  -5.426
  198   2HH1  ARG  20          2HH1      ARG  20   0.416   9.945  -5.582
  199   1HH2  ARG  20          1HH2      ARG  20   0.063  10.443  -2.140
  200   2HH2  ARG  20          2HH2      ARG  20  -0.221  11.106  -3.715
  201    H    LYS  21           H        LYS  21   2.385   2.874  -3.864
  202    HA   LYS  21           HA       LYS  21  -0.031   2.237  -5.409
  203   1HB   LYS  21          2HB       LYS  21   2.407   1.966  -6.913
  204   2HB   LYS  21          1HB       LYS  21   1.030   3.017  -7.214
  205   1HG   LYS  21          2HG       LYS  21   1.987   4.800  -6.137
  206   2HG   LYS  21          1HG       LYS  21   3.014   3.779  -5.126
  207   1HD   LYS  21          2HD       LYS  21   4.688   4.066  -6.556
  208   2HD   LYS  21          1HD       LYS  21   3.730   3.293  -7.818
  209   1HE   LYS  21          2HE       LYS  21   3.059   5.287  -8.724
  210   2HE   LYS  21          1HE       LYS  21   3.181   6.147  -7.190
  211   1HZ   LYS  21          1HZ       LYS  21   5.249   5.594  -9.180
  212   2HZ   LYS  21          2HZ       LYS  21   5.719   5.622  -7.556
  213   3HZ   LYS  21          3HZ       LYS  21   4.990   6.982  -8.247
  214    H    GLU  22           H        GLU  22   2.838   0.917  -3.970
  215    HA   GLU  22           HA       GLU  22   2.852  -1.580  -5.288
  216   1HB   GLU  22          2HB       GLU  22   4.113  -0.390  -2.869
  217   2HB   GLU  22          1HB       GLU  22   4.092  -2.138  -2.997
  218   1HG   GLU  22          2HG       GLU  22   5.023  -0.584  -5.340
  219   2HG   GLU  22          1HG       GLU  22   6.080  -0.680  -3.925
  220    H    PHE  23           H        PHE  23   0.622  -0.253  -3.247
  221    HA   PHE  23           HA       PHE  23  -0.266  -2.890  -2.272
  222   1HB   PHE  23          2HB       PHE  23   0.490  -1.248  -0.511
  223   2HB   PHE  23          1HB       PHE  23  -0.853  -0.220  -0.986
  224    HD1  PHE  23           1HD      PHE  23  -0.123  -3.685   0.165
  225    HD2  PHE  23           2HD      PHE  23  -2.882  -0.448   0.069
  226    HE1  PHE  23           1HE      PHE  23  -1.597  -4.901   1.716
  227    HE2  PHE  23           2HE      PHE  23  -4.362  -1.655   1.618
  228    HZ   PHE  23           HZ       PHE  23  -3.719  -3.886   2.445
  229    H    ALA  24           H        ALA  24  -1.335   0.303  -3.401
  230    HA   ALA  24           HA       ALA  24  -4.072  -0.544  -3.656
  231   1HB   ALA  24          1HB       ALA  24  -3.850   1.714  -3.138
  232   2HB   ALA  24          2HB       ALA  24  -4.270   1.716  -4.853
  233   3HB   ALA  24          3HB       ALA  24  -2.597   1.970  -4.354
  234    H    LYS  25           H        LYS  25  -2.324  -2.197  -5.063
  235    HA   LYS  25           HA       LYS  25  -2.312  -1.651  -7.863
  236   1HB   LYS  25          2HB       LYS  25  -2.074  -4.317  -7.777
  237   2HB   LYS  25          1HB       LYS  25  -0.736  -3.253  -7.357
  238   1HG   LYS  25          2HG       LYS  25  -0.624  -4.295  -5.398
  239   2HG   LYS  25          1HG       LYS  25  -2.180  -3.557  -4.982
  240   1HD   LYS  25          2HD       LYS  25  -2.755  -5.730  -4.692
  241   2HD   LYS  25          1HD       LYS  25  -3.069  -5.618  -6.425
  242   1HE   LYS  25          2HE       LYS  25  -1.601  -7.248  -6.777
  243   2HE   LYS  25          1HE       LYS  25  -0.328  -6.221  -6.118
  244   1HZ   LYS  25          1HZ       LYS  25  -0.577  -8.419  -5.008
  245   2HZ   LYS  25          2HZ       LYS  25  -2.091  -7.921  -4.442
  246   3HZ   LYS  25          3HZ       LYS  25  -0.696  -7.099  -3.957
  247    H    PHE  26           H        PHE  26  -4.053  -3.953  -5.871
  248    HA   PHE  26           HA       PHE  26  -6.363  -3.873  -7.693
  249   1HB   PHE  26          2HB       PHE  26  -5.618  -6.097  -7.756
  250   2HB   PHE  26          1HB       PHE  26  -5.079  -6.044  -6.083
  251    HD1  PHE  26           1HD      PHE  26  -6.379  -6.949  -4.405
  252    HD2  PHE  26           2HD      PHE  26  -8.156  -6.069  -8.169
  253    HE1  PHE  26           1HE      PHE  26  -8.438  -8.082  -3.690
  254    HE2  PHE  26           2HE      PHE  26 -10.224  -7.200  -7.461
  255    HZ   PHE  26           HZ       PHE  26 -10.368  -8.208  -5.218
  256    H    GLU  27           H        GLU  27  -5.030  -3.208  -4.705
  257    HA   GLU  27           HA       GLU  27  -7.167  -3.428  -2.917
  258   1HB   GLU  27          2HB       GLU  27  -4.565  -2.029  -3.048
  259   2HB   GLU  27          1HB       GLU  27  -5.725  -1.370  -1.916
  260   1HG   GLU  27          2HG       GLU  27  -4.595  -4.150  -1.979
  261   2HG   GLU  27          1HG       GLU  27  -4.353  -2.907  -0.746
  262    H    GLU  28           H        GLU  28  -6.469  -1.154  -5.418
  263    HA   GLU  28           HA       GLU  28  -8.118   0.971  -4.432
  264   1HB   GLU  28          2HB       GLU  28  -7.796   1.978  -6.617
  265   2HB   GLU  28          1HB       GLU  28  -6.264   1.338  -6.039
  266   1HG   GLU  28          2HG       GLU  28  -6.507  -0.604  -7.470
  267   2HG   GLU  28          1HG       GLU  28  -8.080  -0.026  -8.015
  268    H    GLU  29           H        GLU  29  -8.824  -2.038  -5.431
  269    HA   GLU  29           HA       GLU  29 -11.466  -1.285  -6.492
  270   1HB   GLU  29          2HB       GLU  29 -10.078  -3.911  -7.016
  271   2HB   GLU  29          1HB       GLU  29 -11.468  -3.231  -7.856
  272   1HG   GLU  29          2HG       GLU  29  -8.892  -1.748  -7.914
  273   2HG   GLU  29          1HG       GLU  29  -9.071  -3.188  -8.917
  274    H    ARG  30           H        ARG  30  -9.673  -2.912  -4.090
  275    HA   ARG  30           HA       ARG  30 -12.008  -4.418  -3.149
  276   1HB   ARG  30          2HB       ARG  30  -9.319  -5.081  -3.312
  277   2HB   ARG  30          1HB       ARG  30  -9.553  -4.721  -1.607
  278   1HG   ARG  30          2HG       ARG  30 -11.230  -6.658  -3.185
  279   2HG   ARG  30          1HG       ARG  30  -9.851  -7.105  -2.177
  280   1HD   ARG  30          2HD       ARG  30 -12.331  -5.685  -1.208
  281   2HD   ARG  30          1HD       ARG  30 -12.016  -7.410  -1.028
  282    HE   ARG  30           HE       ARG  30 -10.418  -5.288   0.252
  283   1HH1  ARG  30          1HH1      ARG  30 -11.766  -8.502   0.200
  284   2HH1  ARG  30          2HH1      ARG  30 -11.144  -8.926   1.760
  285   1HH2  ARG  30          1HH2      ARG  30  -9.602  -5.836   2.307
  286   2HH2  ARG  30          2HH2      ARG  30  -9.915  -7.411   2.958
  287    H    ALA  31           H        ALA  31  -9.448  -2.326  -1.845
  288    HA   ALA  31           HA       ALA  31 -10.894  -1.821   0.580
  289   1HB   ALA  31          1HB       ALA  31  -8.621  -0.077  -0.100
  290   2HB   ALA  31          2HB       ALA  31  -8.265  -1.803  -0.024
  291   3HB   ALA  31          3HB       ALA  31  -8.958  -0.984   1.375
  292    H    ARG  32           H        ARG  32 -11.522  -0.812  -2.391
  293    HA   ARG  32           HA       ARG  32 -12.146   1.956  -1.610
  294   1HB   ARG  32          2HB       ARG  32 -10.915   0.972  -3.906
  295   2HB   ARG  32          1HB       ARG  32 -12.561   1.322  -4.415
  296   1HG   ARG  32          2HG       ARG  32 -11.029   3.212  -4.768
  297   2HG   ARG  32          1HG       ARG  32 -12.359   3.605  -3.677
  298   1HD   ARG  32          2HD       ARG  32 -10.523   2.779  -1.888
  299   2HD   ARG  32          1HD       ARG  32  -9.458   3.408  -3.148
  300    HE   ARG  32           HE       ARG  32 -11.304   4.926  -1.493
  301   1HH1  ARG  32          1HH1      ARG  32  -9.142   4.880  -4.225
  302   2HH1  ARG  32          2HH1      ARG  32  -8.976   6.603  -4.284
  303   1HH2  ARG  32          1HH2      ARG  32 -11.101   7.188  -1.568
  304   2HH2  ARG  32          2HH2      ARG  32 -10.089   7.917  -2.771
  305    H    ALA  33           H        ALA  33 -13.544  -0.579  -3.698
  306    HA   ALA  33           HA       ALA  33 -16.105   0.372  -3.836
  307   1HB   ALA  33          1HB       ALA  33 -14.836  -1.953  -4.599
  308   2HB   ALA  33          2HB       ALA  33 -16.525  -1.548  -4.899
  309   3HB   ALA  33          3HB       ALA  33 -16.087  -2.518  -3.492
  310    H    LYS  34           H        LYS  34 -14.528  -0.952  -1.068
  311    HA   LYS  34           HA       LYS  34 -16.681  -1.875   0.436
  312   1HB   LYS  34          2HB       LYS  34 -15.274  -1.032   2.427
  313   2HB   LYS  34          1HB       LYS  34 -14.576  -2.271   1.394
  314   1HG   LYS  34          2HG       LYS  34 -13.165  -0.670   0.320
  315   2HG   LYS  34          1HG       LYS  34 -14.012   0.668   1.094
  316   1HD   LYS  34          2HD       LYS  34 -11.770   0.038   2.090
  317   2HD   LYS  34          1HD       LYS  34 -13.124   0.148   3.215
  318   1HE   LYS  34          2HE       LYS  34 -11.506  -1.855   3.404
  319   2HE   LYS  34          1HE       LYS  34 -13.240  -2.155   3.497
  320   1HZ   LYS  34          1HZ       LYS  34 -11.438  -3.330   1.774
  321   2HZ   LYS  34          2HZ       LYS  34 -12.340  -2.276   0.809
  322   3HZ   LYS  34          3HZ       LYS  34 -13.124  -3.460   1.725
  323    H    TRP  35           H        TRP  35 -15.184   1.326   0.524
  324    HA   TRP  35           HA       TRP  35 -17.571   2.444   1.764
  325   1HB   TRP  35          2HB       TRP  35 -16.116   4.477   1.976
  326   2HB   TRP  35          1HB       TRP  35 -15.522   3.069   2.840
  327    HD1  TRP  35           HD       TRP  35 -15.038   4.135  -0.856
  328    HE1  TRP  35           1HE      TRP  35 -12.543   4.221  -1.315
  329    HE3  TRP  35           3HE      TRP  35 -13.308   2.931   3.793
  330    HZ2  TRP  35           2HZ      TRP  35 -10.106   3.825   0.079
  331    HZ3  TRP  35           3HZ      TRP  35 -10.881   2.790   4.142
  332    HH2  TRP  35           HH       TRP  35  -9.310   3.232   2.326
  333    H    ASP  36           H        ASP  36 -16.446   1.831  -1.222
  334    HA   ASP  36           HA       ASP  36 -17.671   4.230  -2.412
  335   1HB   ASP  36          2HB       ASP  36 -15.169   2.957  -2.891
  336   2HB   ASP  36          1HB       ASP  36 -16.168   2.728  -4.330
  Start of MODEL   15
    1   1H    MET   1          1HT       MET   1  15.306  -5.375  -4.285
    2   2H    MET   1          2HT       MET   1  14.097  -4.270  -3.859
    3   3H    MET   1          3HT       MET   1  14.503  -5.528  -2.804
    4    HA   MET   1           HA       MET   1  16.734  -3.872  -3.524
    5   1HB   MET   1          2HB       MET   1  14.495  -2.702  -1.871
    6   2HB   MET   1          1HB       MET   1  16.050  -1.952  -2.193
    7   1HG   MET   1          2HG       MET   1  14.014  -2.626  -4.303
    8   2HG   MET   1          1HG       MET   1  14.190  -1.044  -3.545
    9   1HE   MET   1          1HE       MET   1  16.877  -0.795  -2.956
   10   2HE   MET   1          2HE       MET   1  17.216   0.365  -4.241
   11   3HE   MET   1          3HE       MET   1  18.149  -1.128  -4.133
   12    H    TRP   2           H        TRP   2  15.191  -3.406  -0.497
   13    HA   TRP   2           HA       TRP   2  17.025  -5.319   0.772
   14   1HB   TRP   2          2HB       TRP   2  16.169  -3.188   2.490
   15   2HB   TRP   2          1HB       TRP   2  17.806  -3.599   1.998
   16    HD1  TRP   2           HD       TRP   2  18.926  -2.018   0.251
   17    HE1  TRP   2           1HE      TRP   2  18.184   0.140  -0.941
   18    HE3  TRP   2           3HE      TRP   2  13.950  -2.043   1.482
   19    HZ2  TRP   2           2HZ      TRP   2  15.801   1.607  -1.278
   20    HZ3  TRP   2           3HZ      TRP   2  12.541  -0.199   0.665
   21    HH2  TRP   2           HH       TRP   2  13.462   1.576  -0.687
   22    H    LYS   3           H        LYS   3  14.591  -3.370   2.349
   23    HA   LYS   3           HA       LYS   3  13.241  -5.760   3.334
   24   1HB   LYS   3          2HB       LYS   3  12.182  -4.293   4.915
   25   2HB   LYS   3          1HB       LYS   3  13.893  -3.881   4.891
   26   1HG   LYS   3          2HG       LYS   3  12.188  -2.358   3.039
   27   2HG   LYS   3          1HG       LYS   3  11.870  -2.096   4.752
   28   1HD   LYS   3          2HD       LYS   3  14.172  -1.461   5.122
   29   2HD   LYS   3          1HD       LYS   3  14.572  -1.852   3.451
   30   1HE   LYS   3          2HE       LYS   3  14.332   0.525   3.659
   31   2HE   LYS   3          1HE       LYS   3  13.011  -0.123   2.678
   32   1HZ   LYS   3          1HZ       LYS   3  11.563   0.750   4.092
   33   2HZ   LYS   3          2HZ       LYS   3  12.830   1.451   4.966
   34   3HZ   LYS   3          3HZ       LYS   3  12.251  -0.078   5.398
   35    H    VAL   4           H        VAL   4  13.005  -3.211   1.155
   36    HA   VAL   4           HA       VAL   4  10.490  -2.562   0.710
   37    HB   VAL   4           HB       VAL   4  12.628  -2.024  -0.642
   38   1HG1  VAL   4          1HG1      VAL   4  11.569  -4.463  -2.052
   39   2HG1  VAL   4          2HG1      VAL   4  13.226  -4.100  -1.558
   40   3HG1  VAL   4          3HG1      VAL   4  12.500  -3.231  -2.910
   41   1HG2  VAL   4          1HG2      VAL   4  11.314  -0.790  -1.958
   42   2HG2  VAL   4          2HG2      VAL   4   9.988  -1.499  -1.038
   43   3HG2  VAL   4          3HG2      VAL   4  10.455  -2.195  -2.590
   44    H    GLY   5           H        GLY   5  11.964  -5.587  -0.453
   45   1HA   GLY   5          2HA       GLY   5  10.010  -6.544  -2.042
   46   2HA   GLY   5          1HA       GLY   5  10.947  -7.596  -0.987
   47    H    PHE   6           H        PHE   6   9.978  -6.639   1.471
   48    HA   PHE   6           HA       PHE   6   7.157  -7.356   1.244
   49   1HB   PHE   6          2HB       PHE   6   7.584  -8.246   3.699
   50   2HB   PHE   6          1HB       PHE   6   7.933  -9.252   2.297
   51    HD1  PHE   6           1HD      PHE   6   9.403  -7.184   4.954
   52    HD2  PHE   6           2HD      PHE   6  10.171  -9.848   1.726
   53    HE1  PHE   6           1HE      PHE   6  11.729  -7.429   5.715
   54    HE2  PHE   6           2HE      PHE   6  12.498 -10.099   2.481
   55    HZ   PHE   6           HZ       PHE   6  13.281  -8.889   4.478
   56    H    PHE   7           H        PHE   7   8.847  -4.767   1.582
   57    HA   PHE   7           HA       PHE   7   7.493  -3.784   3.992
   58   1HB   PHE   7          2HB       PHE   7  10.096  -3.573   3.376
   59   2HB   PHE   7          1HB       PHE   7   9.498  -2.095   2.635
   60    HD1  PHE   7           1HD      PHE   7   8.337  -3.752   5.755
   61    HD2  PHE   7           2HD      PHE   7  10.283  -0.406   3.993
   62    HE1  PHE   7           1HE      PHE   7   8.339  -2.614   7.934
   63    HE2  PHE   7           2HE      PHE   7  10.305   0.739   6.165
   64    HZ   PHE   7           HZ       PHE   7   9.327  -0.365   8.145
   65    H    LYS   8           H        LYS   8   8.126  -2.879   0.621
   66    HA   LYS   8           HA       LYS   8   6.669  -0.506   0.697
   67   1HB   LYS   8          2HB       LYS   8   6.531  -0.757  -1.801
   68   2HB   LYS   8          1HB       LYS   8   8.137  -0.815  -1.089
   69   1HG   LYS   8          2HG       LYS   8   7.301  -2.495  -2.992
   70   2HG   LYS   8          1HG       LYS   8   8.535  -2.884  -1.806
   71   1HD   LYS   8          2HD       LYS   8   7.205  -4.747  -1.698
   72   2HD   LYS   8          1HD       LYS   8   6.510  -3.760  -0.411
   73   1HE   LYS   8          2HE       LYS   8   4.553  -3.881  -1.407
   74   2HE   LYS   8          1HE       LYS   8   5.214  -3.005  -2.787
   75   1HZ   LYS   8          1HZ       LYS   8   5.846  -5.829  -2.714
   76   2HZ   LYS   8          2HZ       LYS   8   5.345  -4.866  -4.012
   77   3HZ   LYS   8          3HZ       LYS   8   4.204  -5.479  -2.923
   78    H    ARG   9           H        ARG   9   5.544  -3.520   1.218
   79    HA   ARG   9           HA       ARG   9   2.823  -2.819   0.357
   80   1HB   ARG   9          2HB       ARG   9   3.030  -4.792  -0.767
   81   2HB   ARG   9          1HB       ARG   9   4.338  -5.355   0.258
   82   1HG   ARG   9          2HG       ARG   9   2.207  -5.483   1.956
   83   2HG   ARG   9          1HG       ARG   9   1.469  -5.882   0.404
   84   1HD   ARG   9          2HD       ARG   9   4.025  -7.211   0.826
   85   2HD   ARG   9          1HD       ARG   9   2.826  -7.623   2.052
   86    HE   ARG   9           HE       ARG   9   2.303  -7.905  -0.836
   87   1HH1  ARG   9          1HH1      ARG   9   2.207  -9.121   2.428
   88   2HH1  ARG   9          2HH1      ARG   9   1.360 -10.569   2.001
   89   1HH2  ARG   9          1HH2      ARG   9   1.187  -9.807  -1.407
   90   2HH2  ARG   9          2HH2      ARG   9   0.780 -10.959  -0.180
   91    H    ASN  10           H        ASN  10   4.981  -3.619   2.865
   92    HA   ASN  10           HA       ASN  10   2.942  -4.155   4.861
   93   1HB   ASN  10          2HB       ASN  10   4.906  -5.490   5.036
   94   2HB   ASN  10          1HB       ASN  10   5.955  -4.077   4.914
   95   1HD2  ASN  10          1HD2      ASN  10   6.998  -4.111   6.805
   96   2HD2  ASN  10          2HD2      ASN  10   6.244  -4.077   8.360
   97    H    ARG  11           H        ARG  11   5.815  -2.094   5.075
   98    HA   ARG  11           HA       ARG  11   6.158  -0.012   5.903
   99   1HB   ARG  11          2HB       ARG  11   4.518   0.600   4.115
  100   2HB   ARG  11          1HB       ARG  11   3.252   0.494   5.325
  101   1HG   ARG  11          2HG       ARG  11   3.625   2.704   5.498
  102   2HG   ARG  11          1HG       ARG  11   4.916   2.177   6.579
  103   1HD   ARG  11          2HD       ARG  11   5.389   2.493   3.636
  104   2HD   ARG  11          1HD       ARG  11   5.471   3.878   4.723
  105    HE   ARG  11           HE       ARG  11   7.349   1.675   4.549
  106   1HH1  ARG  11          1HH1      ARG  11   6.205   4.411   6.383
  107   2HH1  ARG  11          2HH1      ARG  11   7.685   4.605   7.259
  108   1HH2  ARG  11          1HH2      ARG  11   9.303   1.935   5.688
  109   2HH2  ARG  11          2HH2      ARG  11   9.446   3.197   6.865
  110   1H    LYS  12          1HT       LYS  12  17.421   3.839  -0.856
  111   2H    LYS  12          2HT       LYS  12  16.811   5.342  -0.374
  112   3H    LYS  12          3HT       LYS  12  16.036   4.468  -1.597
  113    HA   LYS  12           HA       LYS  12  15.282   2.840  -0.136
  114   1HB   LYS  12          2HB       LYS  12  17.403   2.708   1.131
  115   2HB   LYS  12          1HB       LYS  12  16.933   4.159   2.010
  116   1HG   LYS  12          2HG       LYS  12  14.740   2.511   2.290
  117   2HG   LYS  12          1HG       LYS  12  16.116   1.402   2.399
  118   1HD   LYS  12          2HD       LYS  12  16.962   3.474   3.935
  119   2HD   LYS  12          1HD       LYS  12  15.227   3.499   4.247
  120   1HE   LYS  12          2HE       LYS  12  15.386   1.033   4.708
  121   2HE   LYS  12          1HE       LYS  12  17.141   1.208   4.642
  122   1HZ   LYS  12          1HZ       LYS  12  15.992   1.336   6.908
  123   2HZ   LYS  12          2HZ       LYS  12  15.520   2.892   6.443
  124   3HZ   LYS  12          3HZ       LYS  12  17.162   2.505   6.548
  125    H    LEU  13           H        LEU  13  15.107   6.061  -0.421
  126    HA   LEU  13           HA       LEU  13  12.955   6.260   1.549
  127   1HB   LEU  13          2HB       LEU  13  14.184   8.515  -0.028
  128   2HB   LEU  13          1HB       LEU  13  13.136   8.642   1.373
  129    HG   LEU  13           HG       LEU  13  15.170   9.056   2.350
  130   1HD1  LEU  13          1HD1      LEU  13  15.059   6.023   2.418
  131   2HD1  LEU  13          2HD1      LEU  13  14.218   7.135   3.511
  132   3HD1  LEU  13          3HD1      LEU  13  15.979   7.058   3.521
  133   1HD2  LEU  13          1HD2      LEU  13  17.069   8.837   1.228
  134   2HD2  LEU  13          2HD2      LEU  13  16.182   7.984  -0.035
  135   3HD2  LEU  13          3HD2      LEU  13  16.944   7.079   1.274
  136    H    LEU  14           H        LEU  14  12.862   4.791  -0.916
  137    HA   LEU  14           HA       LEU  14  10.977   6.266  -2.586
  138   1HB   LEU  14          2HB       LEU  14  11.088   4.283  -4.044
  139   2HB   LEU  14          1HB       LEU  14  12.664   4.981  -3.754
  140    HG   LEU  14           HG       LEU  14  12.995   3.154  -1.989
  141   1HD1  LEU  14          1HD1      LEU  14  10.326   2.633  -2.487
  142   2HD1  LEU  14          2HD1      LEU  14  11.453   1.586  -1.629
  143   3HD1  LEU  14          3HD1      LEU  14  11.173   1.355  -3.354
  144   1HD2  LEU  14          1HD2      LEU  14  13.911   1.722  -3.567
  145   2HD2  LEU  14          2HD2      LEU  14  13.847   3.262  -4.425
  146   3HD2  LEU  14          3HD2      LEU  14  12.625   2.027  -4.736
  147    H    ILE  15           H        ILE  15  11.123   4.113  -0.005
  148    HA   ILE  15           HA       ILE  15   8.737   2.650  -0.343
  149    HB   ILE  15           HB       ILE  15  10.536   3.249   1.994
  150   1HG1  ILE  15          2HG1      ILE  15  11.258   1.673   0.245
  151   2HG1  ILE  15          1HG1      ILE  15  11.064   0.891   1.811
  152   1HG2  ILE  15          1HG2      ILE  15   8.960   1.146   2.830
  153   2HG2  ILE  15          2HG2      ILE  15   7.794   2.288   2.158
  154   3HG2  ILE  15          3HG2      ILE  15   8.891   2.801   3.441
  155   1HD1  ILE  15          1HD1      ILE  15   8.681   0.340   0.909
  156   2HD1  ILE  15          2HD1      ILE  15  10.072  -0.625   0.417
  157   3HD1  ILE  15          3HD1      ILE  15   9.433   0.617  -0.662
  158    H    THR  16           H        THR  16   8.929   5.831  -0.262
  159    HA   THR  16           HA       THR  16   6.627   6.254   1.504
  160    HB   THR  16           HB       THR  16   7.303   8.747   0.655
  161    HG1  THR  16           1HG      THR  16   9.206   7.470  -0.332
  162   1HG2  THR  16          1HG2      THR  16   7.576   7.270   3.046
  163   2HG2  THR  16          2HG2      THR  16   7.526   9.020   2.831
  164   3HG2  THR  16          3HG2      THR  16   9.071   8.171   2.793
  165    H    ILE  17           H        ILE  17   7.244   5.539  -1.659
  166    HA   ILE  17           HA       ILE  17   4.836   6.977  -2.546
  167    HB   ILE  17           HB       ILE  17   7.411   7.155  -3.652
  168   1HG1  ILE  17          2HG1      ILE  17   5.685   8.902  -3.591
  169   2HG1  ILE  17          1HG1      ILE  17   6.331   8.691  -5.214
  170   1HG2  ILE  17          1HG2      ILE  17   5.818   5.174  -5.084
  171   2HG2  ILE  17          2HG2      ILE  17   7.541   5.552  -5.193
  172   3HG2  ILE  17          3HG2      ILE  17   6.368   6.510  -6.100
  173   1HD1  ILE  17          1HD1      ILE  17   3.996   7.043  -4.748
  174   2HD1  ILE  17          2HD1      ILE  17   4.329   8.200  -6.036
  175   3HD1  ILE  17          3HD1      ILE  17   3.673   8.758  -4.496
  176    H    HIS  18           H        HIS  18   6.787   4.085  -3.421
  177    HA   HIS  18           HA       HIS  18   4.766   2.743  -4.810
  178   1HB   HIS  18          2HB       HIS  18   6.868   1.373  -3.139
  179   2HB   HIS  18          1HB       HIS  18   6.125   0.806  -4.619
  180    HD1  HIS  18           1HD      HIS  18   8.685   3.131  -3.337
  181    HD2  HIS  18           2HD      HIS  18   7.216   1.764  -6.966
  182    HE1  HIS  18           1HE      HIS  18  10.321   3.955  -5.080
  183    HE2  HIS  18           2HE      HIS  18   9.337   3.223  -7.281
  184    H    ASP  19           H        ASP  19   5.597   2.879  -1.452
  185    HA   ASP  19           HA       ASP  19   3.900   0.840  -0.535
  186   1HB   ASP  19          2HB       ASP  19   5.883   2.223   0.489
  187   2HB   ASP  19          1HB       ASP  19   4.571   3.200   1.148
  188    H    ARG  20           H        ARG  20   3.025   3.438  -2.181
  189    HA   ARG  20           HA       ARG  20   0.476   3.775  -0.768
  190   1HB   ARG  20          2HB       ARG  20   2.355   5.724  -1.808
  191   2HB   ARG  20          1HB       ARG  20   0.744   5.948  -2.476
  192   1HG   ARG  20          2HG       ARG  20   0.287   7.109  -0.639
  193   2HG   ARG  20          1HG       ARG  20   0.268   5.562   0.211
  194   1HD   ARG  20          2HD       ARG  20   2.863   5.964   0.324
  195   2HD   ARG  20          1HD       ARG  20   2.395   7.649   0.098
  196    HE   ARG  20           HE       ARG  20   1.405   7.643   2.201
  197   1HH1  ARG  20          1HH1      ARG  20   2.566   4.465   1.360
  198   2HH1  ARG  20          2HH1      ARG  20   2.429   3.848   2.972
  199   1HH2  ARG  20          1HH2      ARG  20   1.222   6.838   4.327
  200   2HH2  ARG  20          2HH2      ARG  20   1.665   5.196   4.658
  201    H    LYS  21           H        LYS  21   2.091   2.762  -3.531
  202    HA   LYS  21           HA       LYS  21  -0.388   2.706  -5.118
  203   1HB   LYS  21          2HB       LYS  21   1.863   2.205  -6.770
  204   2HB   LYS  21          1HB       LYS  21   0.775   3.588  -6.808
  205   1HG   LYS  21          2HG       LYS  21   2.159   4.868  -5.444
  206   2HG   LYS  21          1HG       LYS  21   3.064   3.461  -4.869
  207   1HD   LYS  21          2HD       LYS  21   4.522   4.465  -6.389
  208   2HD   LYS  21          1HD       LYS  21   3.761   3.188  -7.341
  209   1HE   LYS  21          2HE       LYS  21   2.615   4.654  -8.646
  210   2HE   LYS  21          1HE       LYS  21   2.437   5.835  -7.349
  211   1HZ   LYS  21          1HZ       LYS  21   4.007   6.312  -9.343
  212   2HZ   LYS  21          2HZ       LYS  21   5.100   5.346  -8.490
  213   3HZ   LYS  21          3HZ       LYS  21   4.480   6.749  -7.777
  214    H    GLU  22           H        GLU  22   2.655   0.995  -4.608
  215    HA   GLU  22           HA       GLU  22   2.247  -1.381  -5.845
  216   1HB   GLU  22          2HB       GLU  22   3.790  -0.410  -3.547
  217   2HB   GLU  22          1HB       GLU  22   3.503  -2.140  -3.536
  218   1HG   GLU  22          2HG       GLU  22   4.492  -0.897  -6.038
  219   2HG   GLU  22          1HG       GLU  22   5.611  -1.058  -4.674
  220    H    PHE  23           H        PHE  23   0.623  -0.179  -3.060
  221    HA   PHE  23           HA       PHE  23  -0.371  -2.777  -2.231
  222   1HB   PHE  23          2HB       PHE  23   0.189  -1.138  -0.519
  223   2HB   PHE  23          1HB       PHE  23  -0.950   0.010  -1.207
  224    HD1  PHE  23           1HD      PHE  23  -2.863   0.277   0.002
  225    HD2  PHE  23           2HD      PHE  23  -1.030  -3.562  -0.099
  226    HE1  PHE  23           1HE      PHE  23  -4.626  -0.598   1.479
  227    HE2  PHE  23           2HE      PHE  23  -2.791  -4.446   1.375
  228    HZ   PHE  23           HZ       PHE  23  -4.591  -2.962   2.167
  229    H    ALA  24           H        ALA  24  -1.544   0.148  -3.812
  230    HA   ALA  24           HA       ALA  24  -4.255  -0.806  -3.975
  231   1HB   ALA  24          1HB       ALA  24  -4.360   1.452  -3.948
  232   2HB   ALA  24          2HB       ALA  24  -4.244   1.246  -5.696
  233   3HB   ALA  24          3HB       ALA  24  -2.805   1.647  -4.758
  234    H    LYS  25           H        LYS  25  -2.393  -2.612  -5.087
  235    HA   LYS  25           HA       LYS  25  -2.301  -2.476  -7.926
  236   1HB   LYS  25          2HB       LYS  25  -2.041  -5.086  -7.515
  237   2HB   LYS  25          1HB       LYS  25  -0.741  -3.974  -7.101
  238   1HG   LYS  25          2HG       LYS  25  -0.783  -4.805  -5.042
  239   2HG   LYS  25          1HG       LYS  25  -2.378  -4.065  -4.831
  240   1HD   LYS  25          2HD       LYS  25  -2.549  -6.389  -4.274
  241   2HD   LYS  25          1HD       LYS  25  -3.379  -6.132  -5.809
  242   1HE   LYS  25          2HE       LYS  25  -0.831  -6.728  -6.616
  243   2HE   LYS  25          1HE       LYS  25  -1.017  -7.745  -5.186
  244   1HZ   LYS  25          1HZ       LYS  25  -3.197  -7.713  -7.140
  245   2HZ   LYS  25          2HZ       LYS  25  -2.644  -8.976  -6.159
  246   3HZ   LYS  25          3HZ       LYS  25  -1.784  -8.548  -7.551
  247    H    PHE  26           H        PHE  26  -4.134  -4.488  -5.710
  248    HA   PHE  26           HA       PHE  26  -6.353  -4.670  -7.634
  249   1HB   PHE  26          2HB       PHE  26  -5.662  -6.881  -7.313
  250   2HB   PHE  26          1HB       PHE  26  -5.171  -6.572  -5.650
  251    HD1  PHE  26           1HD      PHE  26  -8.093  -7.108  -7.847
  252    HD2  PHE  26           2HD      PHE  26  -6.634  -6.944  -3.855
  253    HE1  PHE  26           1HE      PHE  26 -10.213  -8.060  -7.038
  254    HE2  PHE  26           2HE      PHE  26  -8.746  -7.892  -3.037
  255    HZ   PHE  26           HZ       PHE  26 -10.543  -8.454  -4.628
  256    H    GLU  27           H        GLU  27  -5.168  -3.602  -4.693
  257    HA   GLU  27           HA       GLU  27  -7.397  -3.520  -3.025
  258   1HB   GLU  27          2HB       GLU  27  -4.760  -2.220  -3.216
  259   2HB   GLU  27          1HB       GLU  27  -5.957  -1.329  -2.301
  260   1HG   GLU  27          2HG       GLU  27  -4.938  -4.101  -1.791
  261   2HG   GLU  27          1HG       GLU  27  -4.745  -2.668  -0.775
  262    H    GLU  28           H        GLU  28  -6.470  -1.559  -5.743
  263    HA   GLU  28           HA       GLU  28  -8.107   0.692  -5.195
  264   1HB   GLU  28          2HB       GLU  28  -7.857   1.156  -7.640
  265   2HB   GLU  28          1HB       GLU  28  -6.331   0.899  -6.807
  266   1HG   GLU  28          2HG       GLU  28  -6.129  -1.300  -7.702
  267   2HG   GLU  28          1HG       GLU  28  -7.761  -1.236  -8.367
  268    H    GLU  29           H        GLU  29  -8.806  -2.473  -5.961
  269    HA   GLU  29           HA       GLU  29 -11.457  -1.811  -7.050
  270   1HB   GLU  29          2HB       GLU  29 -10.072  -4.498  -7.085
  271   2HB   GLU  29          1HB       GLU  29 -11.535  -4.045  -7.952
  272   1HG   GLU  29          2HG       GLU  29  -8.876  -2.738  -8.448
  273   2HG   GLU  29          1HG       GLU  29  -9.411  -4.182  -9.304
  274    H    ARG  30           H        ARG  30  -9.702  -3.275  -4.455
  275    HA   ARG  30           HA       ARG  30 -12.003  -4.574  -3.285
  276   1HB   ARG  30          2HB       ARG  30  -9.286  -4.958  -3.084
  277   2HB   ARG  30          1HB       ARG  30  -9.668  -4.165  -1.560
  278   1HG   ARG  30          2HG       ARG  30 -11.322  -6.470  -2.476
  279   2HG   ARG  30          1HG       ARG  30  -9.743  -6.755  -1.743
  280   1HD   ARG  30          2HD       ARG  30 -11.904  -5.087  -0.471
  281   2HD   ARG  30          1HD       ARG  30 -11.680  -6.807  -0.150
  282    HE   ARG  30           HE       ARG  30  -9.377  -6.139   0.616
  283   1HH1  ARG  30          1HH1      ARG  30 -12.066  -3.926   0.728
  284   2HH1  ARG  30          2HH1      ARG  30 -11.415  -2.999   2.038
  285   1HH2  ARG  30          1HH2      ARG  30  -8.511  -4.924   2.339
  286   2HH2  ARG  30          2HH2      ARG  30  -9.393  -3.566   2.954
  287    H    ALA  31           H        ALA  31 -10.668  -1.467  -3.305
  288    HA   ALA  31           HA       ALA  31 -12.100  -0.733  -0.841
  289   1HB   ALA  31          1HB       ALA  31  -9.523   0.076  -1.935
  290   2HB   ALA  31          2HB       ALA  31 -10.149   0.218  -0.294
  291   3HB   ALA  31          3HB       ALA  31 -10.545   1.445  -1.496
  292    H    ARG  32           H        ARG  32 -12.382  -0.758  -4.098
  293    HA   ARG  32           HA       ARG  32 -13.782   1.806  -4.322
  294   1HB   ARG  32          2HB       ARG  32 -12.171   0.437  -6.074
  295   2HB   ARG  32          1HB       ARG  32 -13.772  -0.031  -6.621
  296   1HG   ARG  32          2HG       ARG  32 -12.813   1.939  -7.788
  297   2HG   ARG  32          1HG       ARG  32 -14.380   2.231  -7.034
  298   1HD   ARG  32          2HD       ARG  32 -13.115   3.162  -5.056
  299   2HD   ARG  32          1HD       ARG  32 -11.665   3.091  -6.060
  300    HE   ARG  32           HE       ARG  32 -12.348   5.068  -6.941
  301   1HH1  ARG  32          1HH1      ARG  32 -15.207   3.263  -6.069
  302   2HH1  ARG  32          2HH1      ARG  32 -16.298   4.481  -6.637
  303   1HH2  ARG  32          1HH2      ARG  32 -13.789   6.662  -7.685
  304   2HH2  ARG  32          2HH2      ARG  32 -15.495   6.408  -7.554
  305    H    ALA  33           H        ALA  33 -14.380  -1.617  -5.097
  306    HA   ALA  33           HA       ALA  33 -17.073  -1.427  -5.631
  307   1HB   ALA  33          1HB       ALA  33 -15.199  -3.527  -5.119
  308   2HB   ALA  33          2HB       ALA  33 -16.695  -3.572  -6.053
  309   3HB   ALA  33          3HB       ALA  33 -16.727  -3.890  -4.318
  310    H    LYS  34           H        LYS  34 -15.551  -0.990  -2.579
  311    HA   LYS  34           HA       LYS  34 -17.713  -1.841  -0.953
  312   1HB   LYS  34          2HB       LYS  34 -16.415   0.300   0.376
  313   2HB   LYS  34          1HB       LYS  34 -16.280  -1.418   0.697
  314   1HG   LYS  34          2HG       LYS  34 -14.317  -1.618  -0.508
  315   2HG   LYS  34          1HG       LYS  34 -14.603  -0.142  -1.437
  316   1HD   LYS  34          2HD       LYS  34 -13.010   0.575   0.060
  317   2HD   LYS  34          1HD       LYS  34 -14.495   1.005   0.912
  318   1HE   LYS  34          2HE       LYS  34 -13.931  -0.301   2.619
  319   2HE   LYS  34          1HE       LYS  34 -13.785  -1.692   1.546
  320   1HZ   LYS  34          1HZ       LYS  34 -11.508  -0.524   0.996
  321   2HZ   LYS  34          2HZ       LYS  34 -11.667  -1.570   2.315
  322   3HZ   LYS  34          3HZ       LYS  34 -11.710   0.103   2.554
  323    H    TRP  35           H        TRP  35 -16.645   1.479  -1.621
  324    HA   TRP  35           HA       TRP  35 -19.231   2.537  -0.955
  325   1HB   TRP  35          2HB       TRP  35 -18.162   4.704  -1.721
  326   2HB   TRP  35          1HB       TRP  35 -17.364   3.900  -0.373
  327    HD1  TRP  35           HD       TRP  35 -16.980   3.278  -4.172
  328    HE1  TRP  35           1HE      TRP  35 -14.530   3.554  -4.760
  329    HE3  TRP  35           3HE      TRP  35 -15.168   4.624   0.408
  330    HZ2  TRP  35           2HZ      TRP  35 -12.095   4.239  -3.493
  331    HZ3  TRP  35           3HZ      TRP  35 -12.760   5.064   0.639
  332    HH2  TRP  35           HH       TRP  35 -11.255   4.870  -1.274
  333    H    ASP  36           H        ASP  36 -17.860   1.159  -3.664
  334    HA   ASP  36           HA       ASP  36 -19.667   2.569  -5.505
  335   1HB   ASP  36          2HB       ASP  36 -16.923   1.875  -5.712
  336   2HB   ASP  36          1HB       ASP  36 -17.799   0.854  -6.858
  Start of MODEL   16
    1   1H    MET   1          1HT       MET   1  13.856  -5.834  -2.826
    2   2H    MET   1          2HT       MET   1  14.738  -6.140  -4.235
    3   3H    MET   1          3HT       MET   1  13.620  -4.873  -4.197
    4    HA   MET   1           HA       MET   1  16.168  -4.433  -3.919
    5   1HB   MET   1          2HB       MET   1  14.086  -3.080  -2.202
    6   2HB   MET   1          1HB       MET   1  15.594  -2.377  -2.772
    7   1HG   MET   1          2HG       MET   1  13.412  -3.321  -4.611
    8   2HG   MET   1          1HG       MET   1  13.527  -1.672  -3.999
    9   1HE   MET   1          1HE       MET   1  16.488  -1.328  -3.738
   10   2HE   MET   1          2HE       MET   1  15.862  -0.013  -4.736
   11   3HE   MET   1          3HE       MET   1  17.264  -0.939  -5.275
   12    H    TRP   2           H        TRP   2  15.009  -3.542  -0.854
   13    HA   TRP   2           HA       TRP   2  16.905  -5.374   0.434
   14   1HB   TRP   2          2HB       TRP   2  16.186  -3.075   1.999
   15   2HB   TRP   2          1HB       TRP   2  17.779  -3.566   1.439
   16    HD1  TRP   2           HD       TRP   2  18.810  -2.109  -0.446
   17    HE1  TRP   2           1HE      TRP   2  17.994  -0.083  -1.815
   18    HE3  TRP   2           3HE      TRP   2  13.912  -2.134   0.918
   19    HZ2  TRP   2           2HZ      TRP   2  15.550   1.302  -2.194
   20    HZ3  TRP   2           3HZ      TRP   2  12.423  -0.423   0.036
   21    HH2  TRP   2           HH       TRP   2  13.232   1.262  -1.507
   22    H    LYS   3           H        LYS   3  14.624  -3.313   2.152
   23    HA   LYS   3           HA       LYS   3  13.454  -5.676   3.380
   24   1HB   LYS   3          2HB       LYS   3  12.537  -4.273   5.000
   25   2HB   LYS   3          1HB       LYS   3  14.135  -3.618   4.736
   26   1HG   LYS   3          2HG       LYS   3  11.446  -2.519   4.007
   27   2HG   LYS   3          1HG       LYS   3  12.700  -1.794   5.002
   28   1HD   LYS   3          2HD       LYS   3  13.984  -1.200   3.132
   29   2HD   LYS   3          1HD       LYS   3  13.115  -2.324   2.089
   30   1HE   LYS   3          2HE       LYS   3  11.778   0.032   3.393
   31   2HE   LYS   3          1HE       LYS   3  12.568   0.134   1.815
   32   1HZ   LYS   3          1HZ       LYS   3   9.991  -0.611   2.259
   33   2HZ   LYS   3          2HZ       LYS   3  10.777  -2.087   2.011
   34   3HZ   LYS   3          3HZ       LYS   3  10.867  -0.875   0.836
   35    H    VAL   4           H        VAL   4  12.903  -3.460   0.970
   36    HA   VAL   4           HA       VAL   4  10.299  -2.998   0.762
   37    HB   VAL   4           HB       VAL   4  12.258  -2.421  -0.833
   38   1HG1  VAL   4          1HG1      VAL   4  11.992  -3.801  -2.987
   39   2HG1  VAL   4          2HG1      VAL   4  11.247  -5.024  -1.953
   40   3HG1  VAL   4          3HG1      VAL   4  12.913  -4.517  -1.664
   41   1HG2  VAL   4          1HG2      VAL   4   9.624  -1.992  -0.952
   42   2HG2  VAL   4          2HG2      VAL   4   9.831  -2.934  -2.429
   43   3HG2  VAL   4          3HG2      VAL   4  10.749  -1.446  -2.194
   44    H    GLY   5           H        GLY   5  11.919  -5.996  -0.229
   45   1HA   GLY   5          2HA       GLY   5  10.049  -7.288  -1.617
   46   2HA   GLY   5          1HA       GLY   5  11.010  -8.131  -0.409
   47    H    PHE   6           H        PHE   6   9.941  -6.985   1.894
   48    HA   PHE   6           HA       PHE   6   7.141  -7.803   1.677
   49   1HB   PHE   6          2HB       PHE   6   7.405  -8.539   4.124
   50   2HB   PHE   6          1HB       PHE   6   8.135  -9.564   2.890
   51    HD1  PHE   6           1HD      PHE   6   8.861  -6.959   5.415
   52    HD2  PHE   6           2HD      PHE   6  10.443  -9.999   2.889
   53    HE1  PHE   6           1HE      PHE   6  11.028  -6.782   6.565
   54    HE2  PHE   6           2HE      PHE   6  12.614  -9.826   4.037
   55    HZ   PHE   6           HZ       PHE   6  12.907  -8.217   5.878
   56    H    PHE   7           H        PHE   7   8.878  -5.179   1.891
   57    HA   PHE   7           HA       PHE   7   7.448  -4.000   4.141
   58   1HB   PHE   7          2HB       PHE   7  10.009  -3.722   3.460
   59   2HB   PHE   7          1HB       PHE   7   9.322  -2.347   2.603
   60    HD1  PHE   7           1HD      PHE   7   9.866  -0.458   3.773
   61    HD2  PHE   7           2HD      PHE   7   8.433  -3.861   5.884
   62    HE1  PHE   7           1HE      PHE   7   9.808   0.862   5.838
   63    HE2  PHE   7           2HE      PHE   7   8.365  -2.548   7.960
   64    HZ   PHE   7           HZ       PHE   7   9.041  -0.190   7.936
   65    H    LYS   8           H        LYS   8   7.706  -3.732   0.666
   66    HA   LYS   8           HA       LYS   8   6.266  -1.307   0.532
   67   1HB   LYS   8          2HB       LYS   8   6.011  -1.928  -1.915
   68   2HB   LYS   8          1HB       LYS   8   7.622  -1.723  -1.251
   69   1HG   LYS   8          2HG       LYS   8   7.000  -3.716  -2.872
   70   2HG   LYS   8          1HG       LYS   8   8.222  -3.838  -1.618
   71   1HD   LYS   8          2HD       LYS   8   7.002  -5.790  -1.365
   72   2HD   LYS   8          1HD       LYS   8   6.307  -4.723  -0.140
   73   1HE   LYS   8          2HE       LYS   8   4.315  -4.831  -1.081
   74   2HE   LYS   8          1HE       LYS   8   4.963  -4.370  -2.654
   75   1HZ   LYS   8          1HZ       LYS   8   5.408  -6.614  -3.181
   76   2HZ   LYS   8          2HZ       LYS   8   3.836  -6.591  -2.555
   77   3HZ   LYS   8          3HZ       LYS   8   5.117  -7.134  -1.596
   78    H    ARG   9           H        ARG   9   5.323  -4.375   1.303
   79    HA   ARG   9           HA       ARG   9   2.532  -3.821   0.600
   80   1HB   ARG   9          2HB       ARG   9   2.278  -6.009   0.077
   81   2HB   ARG   9          1HB       ARG   9   4.020  -6.163   0.205
   82   1HG   ARG   9          2HG       ARG   9   3.124  -6.372   2.823
   83   2HG   ARG   9          1HG       ARG   9   1.946  -7.275   1.870
   84   1HD   ARG   9          2HD       ARG   9   4.551  -7.888   0.905
   85   2HD   ARG   9          1HD       ARG   9   4.554  -8.055   2.659
   86    HE   ARG   9           HE       ARG   9   3.224  -9.742   0.766
   87   1HH1  ARG   9          1HH1      ARG   9   3.139  -8.539   4.036
   88   2HH1  ARG   9          2HH1      ARG   9   2.269  -9.904   4.650
   89   1HH2  ARG   9          1HH2      ARG   9   2.078 -11.540   1.568
   90   2HH2  ARG   9          2HH2      ARG   9   1.666 -11.609   3.249
   91    H    ASN  10           H        ASN  10   4.764  -3.476   2.783
   92    HA   ASN  10           HA       ASN  10   3.168  -4.005   5.174
   93   1HB   ASN  10          2HB       ASN  10   5.943  -4.156   4.394
   94   2HB   ASN  10          1HB       ASN  10   5.757  -3.170   5.829
   95   1HD2  ASN  10          1HD2      ASN  10   6.167  -4.316   7.576
   96   2HD2  ASN  10          2HD2      ASN  10   5.658  -5.939   7.873
   97    H    ARG  11           H        ARG  11   5.803  -1.750   4.936
   98    HA   ARG  11           HA       ARG  11   6.009   0.455   5.372
   99   1HB   ARG  11          2HB       ARG  11   4.550   0.588   3.342
  100   2HB   ARG  11          1HB       ARG  11   3.169   0.697   4.423
  101   1HG   ARG  11          2HG       ARG  11   3.504   2.908   4.107
  102   2HG   ARG  11          1HG       ARG  11   4.640   2.673   5.437
  103   1HD   ARG  11          2HD       ARG  11   5.443   2.427   2.551
  104   2HD   ARG  11          1HD       ARG  11   5.500   3.956   3.425
  105    HE   ARG  11           HE       ARG  11   7.234   1.644   3.818
  106   1HH1  ARG  11          1HH1      ARG  11   6.200   4.798   4.894
  107   2HH1  ARG  11          2HH1      ARG  11   7.631   5.090   5.823
  108   1HH2  ARG  11          1HH2      ARG  11   9.118   2.025   5.035
  109   2HH2  ARG  11          2HH2      ARG  11   9.290   3.513   5.905
  110   1H    LYS  12          1HT       LYS  12  15.505   4.533  -1.954
  111   2H    LYS  12          2HT       LYS  12  16.607   3.259  -1.804
  112   3H    LYS  12          3HT       LYS  12  16.778   4.641  -0.844
  113    HA   LYS  12           HA       LYS  12  14.748   2.526  -0.680
  114   1HB   LYS  12          2HB       LYS  12  16.916   2.311   0.529
  115   2HB   LYS  12          1HB       LYS  12  16.483   3.749   1.450
  116   1HG   LYS  12          2HG       LYS  12  14.260   2.274   1.816
  117   2HG   LYS  12          1HG       LYS  12  15.471   0.994   1.659
  118   1HD   LYS  12          2HD       LYS  12  16.827   2.170   3.370
  119   2HD   LYS  12          1HD       LYS  12  15.491   3.294   3.604
  120   1HE   LYS  12          2HE       LYS  12  14.704   0.487   3.721
  121   2HE   LYS  12          1HE       LYS  12  15.865   0.943   4.969
  122   1HZ   LYS  12          1HZ       LYS  12  13.155   1.372   5.016
  123   2HZ   LYS  12          2HZ       LYS  12  13.813   2.896   4.694
  124   3HZ   LYS  12          3HZ       LYS  12  14.299   2.039   6.069
  125    H    LEU  13           H        LEU  13  14.862   5.823  -0.802
  126    HA   LEU  13           HA       LEU  13  12.758   6.069   1.197
  127   1HB   LEU  13          2HB       LEU  13  14.025   8.283  -0.414
  128   2HB   LEU  13          1HB       LEU  13  13.033   8.451   1.024
  129    HG   LEU  13           HG       LEU  13  15.081   8.737   1.980
  130   1HD1  LEU  13          1HD1      LEU  13  14.836   5.717   1.884
  131   2HD1  LEU  13          2HD1      LEU  13  14.212   6.815   3.125
  132   3HD1  LEU  13          3HD1      LEU  13  15.953   6.606   2.931
  133   1HD2  LEU  13          1HD2      LEU  13  16.052   7.207  -0.367
  134   2HD2  LEU  13          2HD2      LEU  13  17.063   7.224   1.079
  135   3HD2  LEU  13          3HD2      LEU  13  16.612   8.741   0.301
  136    H    LEU  14           H        LEU  14  12.783   4.857  -1.583
  137    HA   LEU  14           HA       LEU  14  10.790   6.368  -3.026
  138   1HB   LEU  14          2HB       LEU  14  10.832   4.451  -4.579
  139   2HB   LEU  14          1HB       LEU  14  12.434   5.101  -4.286
  140    HG   LEU  14           HG       LEU  14  12.232   3.079  -2.395
  141   1HD1  LEU  14          1HD1      LEU  14  11.231   1.217  -3.294
  142   2HD1  LEU  14          2HD1      LEU  14  11.298   1.839  -4.942
  143   3HD1  LEU  14          3HD1      LEU  14  10.115   2.484  -3.804
  144   1HD2  LEU  14          1HD2      LEU  14  13.813   3.794  -4.608
  145   2HD2  LEU  14          2HD2      LEU  14  13.391   2.095  -4.823
  146   3HD2  LEU  14          3HD2      LEU  14  14.187   2.626  -3.341
  147    H    ILE  15           H        ILE  15  10.980   4.142  -0.542
  148    HA   ILE  15           HA       ILE  15   8.438   2.859  -0.902
  149    HB   ILE  15           HB       ILE  15  10.532   2.844   1.267
  150   1HG1  ILE  15          2HG1      ILE  15  10.927   1.627  -0.852
  151   2HG1  ILE  15          1HG1      ILE  15  10.856   0.561   0.549
  152   1HG2  ILE  15          1HG2      ILE  15   8.629   0.742   1.631
  153   2HG2  ILE  15          2HG2      ILE  15   7.790   2.292   1.684
  154   3HG2  ILE  15          3HG2      ILE  15   9.137   1.983   2.778
  155   1HD1  ILE  15          1HD1      ILE  15   8.961  -0.446  -0.141
  156   2HD1  ILE  15          2HD1      ILE  15   9.576   0.051  -1.719
  157   3HD1  ILE  15          3HD1      ILE  15   8.334   1.009  -0.913
  158    H    THR  16           H        THR  16   9.314   5.904   0.020
  159    HA   THR  16           HA       THR  16   7.420   6.267   2.165
  160    HB   THR  16           HB       THR  16   8.601   8.552   0.636
  161    HG1  THR  16           1HG      THR  16   9.994   6.619   2.064
  162   1HG2  THR  16          1HG2      THR  16   8.651   8.335   3.588
  163   2HG2  THR  16          2HG2      THR  16   7.095   8.609   2.806
  164   3HG2  THR  16          3HG2      THR  16   8.421   9.745   2.555
  165    H    ILE  17           H        ILE  17   7.483   6.724  -1.318
  166    HA   ILE  17           HA       ILE  17   4.701   7.672  -1.153
  167    HB   ILE  17           HB       ILE  17   6.735   9.136  -2.177
  168   1HG1  ILE  17          2HG1      ILE  17   4.443   9.889  -1.659
  169   2HG1  ILE  17          1HG1      ILE  17   5.016  10.527  -3.195
  170   1HG2  ILE  17          1HG2      ILE  17   5.640   7.494  -4.429
  171   2HG2  ILE  17          2HG2      ILE  17   7.316   7.894  -4.051
  172   3HG2  ILE  17          3HG2      ILE  17   6.240   9.131  -4.701
  173   1HD1  ILE  17          1HD1      ILE  17   3.698   8.119  -3.782
  174   2HD1  ILE  17          2HD1      ILE  17   3.174   9.763  -4.143
  175   3HD1  ILE  17          3HD1      ILE  17   2.679   8.991  -2.636
  176    H    HIS  18           H        HIS  18   6.979   5.709  -3.050
  177    HA   HIS  18           HA       HIS  18   5.046   4.777  -4.891
  178   1HB   HIS  18          2HB       HIS  18   6.915   4.107  -5.888
  179   2HB   HIS  18          1HB       HIS  18   7.844   4.412  -4.430
  180    HD1  HIS  18           1HD      HIS  18   7.890   2.280  -2.705
  181    HD2  HIS  18           2HD      HIS  18   6.813   1.523  -6.646
  182    HE1  HIS  18           1HE      HIS  18   8.240  -0.186  -3.036
  183    HE2  HIS  18           2HE      HIS  18   7.590  -0.623  -5.429
  184    H    ASP  19           H        ASP  19   5.598   4.023  -1.635
  185    HA   ASP  19           HA       ASP  19   4.576   1.340  -1.697
  186   1HB   ASP  19          2HB       ASP  19   6.096   2.508   0.088
  187   2HB   ASP  19          1HB       ASP  19   4.563   3.046   0.767
  188    H    ARG  20           H        ARG  20   3.275   4.520  -1.565
  189    HA   ARG  20           HA       ARG  20   0.745   3.869  -0.438
  190   1HB   ARG  20          2HB       ARG  20   1.991   6.213  -1.702
  191   2HB   ARG  20          1HB       ARG  20   0.242   6.130  -1.824
  192   1HG   ARG  20          2HG       ARG  20   0.171   7.061   0.188
  193   2HG   ARG  20          1HG       ARG  20   0.773   5.530   0.829
  194   1HD   ARG  20          2HD       ARG  20   3.104   6.490   0.202
  195   2HD   ARG  20          1HD       ARG  20   2.270   8.043   0.199
  196    HE   ARG  20           HE       ARG  20   2.760   6.326   2.508
  197   1HH1  ARG  20          1HH1      ARG  20   1.369   9.236   1.192
  198   2HH1  ARG  20          2HH1      ARG  20   1.184   9.999   2.735
  199   1HH2  ARG  20          1HH2      ARG  20   2.518   7.320   4.543
  200   2HH2  ARG  20          2HH2      ARG  20   1.837   8.908   4.641
  201    H    LYS  21           H        LYS  21   2.159   3.227  -3.383
  202    HA   LYS  21           HA       LYS  21  -0.443   2.914  -4.729
  203   1HB   LYS  21          2HB       LYS  21   1.755   2.644  -6.541
  204   2HB   LYS  21          1HB       LYS  21   0.468   3.842  -6.544
  205   1HG   LYS  21          2HG       LYS  21   1.727   5.403  -5.457
  206   2HG   LYS  21          1HG       LYS  21   2.742   4.198  -4.662
  207   1HD   LYS  21          2HD       LYS  21   4.285   4.580  -6.220
  208   2HD   LYS  21          1HD       LYS  21   3.192   3.841  -7.392
  209   1HE   LYS  21          2HE       LYS  21   2.619   5.821  -8.303
  210   2HE   LYS  21          1HE       LYS  21   2.608   6.649  -6.747
  211   1HZ   LYS  21          1HZ       LYS  21   5.051   6.677  -6.832
  212   2HZ   LYS  21          2HZ       LYS  21   4.354   7.523  -8.120
  213   3HZ   LYS  21          3HZ       LYS  21   5.001   5.982  -8.375
  214    H    GLU  22           H        GLU  22   2.462   1.399  -3.657
  215    HA   GLU  22           HA       GLU  22   2.339  -0.982  -5.146
  216   1HB   GLU  22          2HB       GLU  22   3.733   0.011  -2.729
  217   2HB   GLU  22          1HB       GLU  22   3.634  -1.731  -2.921
  218   1HG   GLU  22          2HG       GLU  22   4.543  -0.074  -5.211
  219   2HG   GLU  22          1HG       GLU  22   5.649  -0.365  -3.863
  220    H    PHE  23           H        PHE  23   0.297   0.214  -2.786
  221    HA   PHE  23           HA       PHE  23  -0.479  -2.422  -1.788
  222   1HB   PHE  23          2HB       PHE  23  -0.249  -0.789  -0.056
  223   2HB   PHE  23          1HB       PHE  23  -1.213   0.383  -0.946
  224    HD1  PHE  23           1HD      PHE  23  -3.509   0.535  -0.601
  225    HD2  PHE  23           2HD      PHE  23  -1.407  -2.907   0.761
  226    HE1  PHE  23           1HE      PHE  23  -5.527  -0.223   0.587
  227    HE2  PHE  23           2HE      PHE  23  -3.422  -3.671   1.949
  228    HZ   PHE  23           HZ       PHE  23  -5.485  -2.328   1.863
  229    H    ALA  24           H        ALA  24  -1.848   0.381  -3.484
  230    HA   ALA  24           HA       ALA  24  -4.337  -1.045  -3.933
  231   1HB   ALA  24          1HB       ALA  24  -4.745   1.211  -3.580
  232   2HB   ALA  24          2HB       ALA  24  -4.807   1.087  -5.338
  233   3HB   ALA  24          3HB       ALA  24  -3.362   1.720  -4.549
  234    H    LYS  25           H        LYS  25  -2.394  -2.518  -4.927
  235    HA   LYS  25           HA       LYS  25  -1.878  -2.057  -7.711
  236   1HB   LYS  25          2HB       LYS  25  -1.127  -4.503  -7.549
  237   2HB   LYS  25          1HB       LYS  25  -0.271  -3.357  -6.523
  238   1HG   LYS  25          2HG       LYS  25  -2.211  -4.093  -4.815
  239   2HG   LYS  25          1HG       LYS  25  -2.103  -5.563  -5.792
  240   1HD   LYS  25          2HD       LYS  25   0.088  -4.243  -4.203
  241   2HD   LYS  25          1HD       LYS  25  -0.646  -5.824  -3.929
  242   1HE   LYS  25          2HE       LYS  25   0.253  -6.562  -6.125
  243   2HE   LYS  25          1HE       LYS  25   1.081  -5.012  -6.268
  244   1HZ   LYS  25          1HZ       LYS  25   2.469  -5.515  -4.470
  245   2HZ   LYS  25          2HZ       LYS  25   2.415  -6.946  -5.370
  246   3HZ   LYS  25          3HZ       LYS  25   1.504  -6.804  -3.951
  247    H    PHE  26           H        PHE  26  -3.701  -4.396  -5.867
  248    HA   PHE  26           HA       PHE  26  -5.665  -4.717  -8.020
  249   1HB   PHE  26          2HB       PHE  26  -4.997  -6.866  -8.019
  250   2HB   PHE  26          1HB       PHE  26  -3.967  -6.582  -6.631
  251    HD1  PHE  26           1HD      PHE  26  -7.288  -7.708  -7.715
  252    HD2  PHE  26           2HD      PHE  26  -4.635  -7.168  -4.434
  253    HE1  PHE  26           1HE      PHE  26  -8.729  -9.132  -6.318
  254    HE2  PHE  26           2HE      PHE  26  -6.067  -8.586  -3.031
  255    HZ   PHE  26           HZ       PHE  26  -8.120  -9.575  -3.972
  256    H    GLU  27           H        GLU  27  -4.901  -3.766  -4.940
  257    HA   GLU  27           HA       GLU  27  -7.157  -4.370  -3.408
  258   1HB   GLU  27          2HB       GLU  27  -4.904  -2.436  -3.310
  259   2HB   GLU  27          1HB       GLU  27  -6.288  -2.083  -2.303
  260   1HG   GLU  27          2HG       GLU  27  -4.411  -4.399  -2.179
  261   2HG   GLU  27          1HG       GLU  27  -4.871  -3.265  -0.905
  262    H    GLU  28           H        GLU  28  -6.582  -2.023  -5.885
  263    HA   GLU  28           HA       GLU  28  -8.837  -0.351  -5.204
  264   1HB   GLU  28          2HB       GLU  28  -8.323   0.777  -7.358
  265   2HB   GLU  28          1HB       GLU  28  -6.937   0.687  -6.279
  266   1HG   GLU  28          2HG       GLU  28  -6.187  -1.328  -7.565
  267   2HG   GLU  28          1HG       GLU  28  -7.473  -0.982  -8.722
  268    H    GLU  29           H        GLU  29  -8.640  -3.364  -6.339
  269    HA   GLU  29           HA       GLU  29 -11.025  -3.093  -8.046
  270   1HB   GLU  29          2HB       GLU  29  -9.124  -5.420  -8.199
  271   2HB   GLU  29          1HB       GLU  29 -10.307  -4.891  -9.387
  272   1HG   GLU  29          2HG       GLU  29  -8.222  -2.925  -8.780
  273   2HG   GLU  29          1HG       GLU  29  -7.646  -4.416  -9.527
  274    H    ARG  30           H        ARG  30  -9.519  -4.607  -5.341
  275    HA   ARG  30           HA       ARG  30 -11.670  -6.546  -5.005
  276   1HB   ARG  30          2HB       ARG  30  -9.777  -7.650  -4.393
  277   2HB   ARG  30          1HB       ARG  30  -8.939  -6.177  -3.933
  278   1HG   ARG  30          2HG       ARG  30  -9.220  -6.796  -1.823
  279   2HG   ARG  30          1HG       ARG  30 -10.940  -6.463  -2.027
  280   1HD   ARG  30          2HD       ARG  30 -11.390  -8.734  -2.598
  281   2HD   ARG  30          1HD       ARG  30  -9.668  -9.108  -2.697
  282    HE   ARG  30           HE       ARG  30  -9.815  -8.388  -0.172
  283   1HH1  ARG  30          1HH1      ARG  30 -12.031 -10.356  -2.009
  284   2HH1  ARG  30          2HH1      ARG  30 -12.563 -11.264  -0.634
  285   1HH2  ARG  30          1HH2      ARG  30 -10.514  -9.571   1.639
  286   2HH2  ARG  30          2HH2      ARG  30 -11.701 -10.819   1.441
  287    H    ALA  31           H        ALA  31 -10.133  -3.971  -3.081
  288    HA   ALA  31           HA       ALA  31 -12.284  -3.924  -1.184
  289   1HB   ALA  31          1HB       ALA  31  -9.932  -2.078  -1.562
  290   2HB   ALA  31          2HB       ALA  31 -10.051  -3.424  -0.428
  291   3HB   ALA  31          3HB       ALA  31 -11.071  -1.999  -0.219
  292    H    ARG  32           H        ARG  32 -12.342  -3.073  -4.232
  293    HA   ARG  32           HA       ARG  32 -13.860  -0.581  -3.823
  294   1HB   ARG  32          2HB       ARG  32 -11.799  -1.089  -5.596
  295   2HB   ARG  32          1HB       ARG  32 -13.236  -1.288  -6.587
  296   1HG   ARG  32          2HG       ARG  32 -12.276   1.002  -6.615
  297   2HG   ARG  32          1HG       ARG  32 -13.965   0.930  -6.107
  298   1HD   ARG  32          2HD       ARG  32 -12.808   0.733  -3.715
  299   2HD   ARG  32          1HD       ARG  32 -11.532   1.616  -4.556
  300    HE   ARG  32           HE       ARG  32 -14.312   2.561  -4.273
  301   1HH1  ARG  32          1HH1      ARG  32 -10.896   3.158  -4.626
  302   2HH1  ARG  32          2HH1      ARG  32 -11.055   4.878  -4.496
  303   1HH2  ARG  32          1HH2      ARG  32 -14.529   4.816  -4.103
  304   2HH2  ARG  32          2HH2      ARG  32 -13.122   5.822  -4.199
  305    H    ALA  33           H        ALA  33 -13.823  -3.329  -6.085
  306    HA   ALA  33           HA       ALA  33 -16.402  -3.172  -6.984
  307   1HB   ALA  33          1HB       ALA  33 -14.316  -5.088  -7.038
  308   2HB   ALA  33          2HB       ALA  33 -15.719  -4.964  -8.102
  309   3HB   ALA  33          3HB       ALA  33 -15.812  -5.932  -6.629
  310    H    LYS  34           H        LYS  34 -15.318  -4.115  -3.841
  311    HA   LYS  34           HA       LYS  34 -17.416  -5.682  -2.921
  312   1HB   LYS  34          2HB       LYS  34 -16.932  -4.533  -0.676
  313   2HB   LYS  34          1HB       LYS  34 -15.609  -5.412  -1.433
  314   1HG   LYS  34          2HG       LYS  34 -14.576  -3.387  -2.140
  315   2HG   LYS  34          1HG       LYS  34 -16.002  -2.446  -1.712
  316   1HD   LYS  34          2HD       LYS  34 -14.155  -2.235  -0.072
  317   2HD   LYS  34          1HD       LYS  34 -15.649  -2.858   0.629
  318   1HE   LYS  34          2HE       LYS  34 -14.507  -5.181   0.029
  319   2HE   LYS  34          1HE       LYS  34 -13.042  -4.210   0.175
  320   1HZ   LYS  34          1HZ       LYS  34 -13.277  -4.043   2.383
  321   2HZ   LYS  34          2HZ       LYS  34 -14.273  -5.400   2.231
  322   3HZ   LYS  34          3HZ       LYS  34 -14.957  -3.855   2.314
  323    H    TRP  35           H        TRP  35 -17.055  -2.172  -2.653
  324    HA   TRP  35           HA       TRP  35 -19.925  -1.888  -2.212
  325   1HB   TRP  35          2HB       TRP  35 -19.298   0.485  -1.693
  326   2HB   TRP  35          1HB       TRP  35 -18.581  -0.700  -0.613
  327    HD1  TRP  35           HD       TRP  35 -17.382   0.619  -4.056
  328    HE1  TRP  35           1HE      TRP  35 -15.016   1.488  -3.771
  329    HE3  TRP  35           3HE      TRP  35 -16.803  -0.189   0.953
  330    HZ2  TRP  35           2HZ      TRP  35 -13.096   1.810  -1.713
  331    HZ3  TRP  35           3HZ      TRP  35 -14.667   0.416   2.000
  332    HH2  TRP  35           HH       TRP  35 -12.849   1.399   0.697
  333    H    ASP  36           H        ASP  36 -17.853  -2.072  -4.683
  334    HA   ASP  36           HA       ASP  36 -19.324  -0.141  -6.354
  335   1HB   ASP  36          2HB       ASP  36 -16.514  -0.546  -5.976
  336   2HB   ASP  36          1HB       ASP  36 -16.922  -0.971  -7.641
  Start of MODEL   17
    1   1H    MET   1          1HT       MET   1  14.626  -4.704  -2.823
    2   2H    MET   1          2HT       MET   1  15.509  -5.800  -1.885
    3   3H    MET   1          3HT       MET   1  16.054  -5.377  -3.430
    4    HA   MET   1           HA       MET   1  17.231  -3.727  -2.603
    5   1HB   MET   1          2HB       MET   1  14.636  -2.798  -1.364
    6   2HB   MET   1          1HB       MET   1  16.066  -1.811  -1.625
    7   1HG   MET   1          2HG       MET   1  14.510  -3.128  -3.833
    8   2HG   MET   1          1HG       MET   1  14.248  -1.475  -3.286
    9   1HE   MET   1          1HE       MET   1  16.880  -0.619  -2.442
   10   2HE   MET   1          2HE       MET   1  16.516   0.548  -3.713
   11   3HE   MET   1          3HE       MET   1  18.063  -0.300  -3.712
   12    H    TRP   2           H        TRP   2  15.376  -3.049   0.180
   13    HA   TRP   2           HA       TRP   2  17.330  -4.441   1.874
   14   1HB   TRP   2          2HB       TRP   2  16.031  -2.239   3.160
   15   2HB   TRP   2          1HB       TRP   2  17.745  -2.450   2.830
   16    HD1  TRP   2           HD       TRP   2  18.750  -0.936   0.969
   17    HE1  TRP   2           1HE      TRP   2  17.785   0.858  -0.606
   18    HE3  TRP   2           3HE      TRP   2  13.756  -1.705   1.784
   19    HZ2  TRP   2           2HZ      TRP   2  15.230   1.803  -1.352
   20    HZ3  TRP   2           3HZ      TRP   2  12.149  -0.292   0.586
   21    HH2  TRP   2           HH       TRP   2  12.884   1.419  -0.952
   22    H    LYS   3           H        LYS   3  14.517  -2.693   2.996
   23    HA   LYS   3           HA       LYS   3  13.467  -5.091   4.274
   24   1HB   LYS   3          2HB       LYS   3  12.056  -3.613   5.509
   25   2HB   LYS   3          1HB       LYS   3  13.638  -2.846   5.465
   26   1HG   LYS   3          2HG       LYS   3  11.778  -2.091   3.306
   27   2HG   LYS   3          1HG       LYS   3  11.311  -1.592   4.930
   28   1HD   LYS   3          2HD       LYS   3  13.393  -0.409   5.217
   29   2HD   LYS   3          1HD       LYS   3  13.992  -1.030   3.681
   30   1HE   LYS   3          2HE       LYS   3  13.282   1.233   3.374
   31   2HE   LYS   3          1HE       LYS   3  12.185   0.152   2.505
   32   1HZ   LYS   3          1HZ       LYS   3  11.592   2.049   4.505
   33   2HZ   LYS   3          2HZ       LYS   3  11.166   0.516   5.079
   34   3HZ   LYS   3          3HZ       LYS   3  10.523   1.081   3.620
   35    H    VAL   4           H        VAL   4  13.029  -3.044   1.640
   36    HA   VAL   4           HA       VAL   4  10.477  -3.011   0.960
   37    HB   VAL   4           HB       VAL   4  12.652  -2.299  -0.323
   38   1HG1  VAL   4          1HG1      VAL   4  13.500  -4.370  -1.041
   39   2HG1  VAL   4          2HG1      VAL   4  12.763  -3.658  -2.477
   40   3HG1  VAL   4          3HG1      VAL   4  11.915  -4.925  -1.585
   41   1HG2  VAL   4          1HG2      VAL   4  10.482  -2.900  -2.218
   42   2HG2  VAL   4          2HG2      VAL   4  11.280  -1.373  -1.841
   43   3HG2  VAL   4          3HG2      VAL   4  10.028  -2.002  -0.770
   44    H    GLY   5           H        GLY   5  12.626  -5.773   0.216
   45   1HA   GLY   5          2HA       GLY   5  11.097  -7.343  -1.250
   46   2HA   GLY   5          1HA       GLY   5  12.010  -8.031   0.091
   47    H    PHE   6           H        PHE   6  10.471  -6.860   2.184
   48    HA   PHE   6           HA       PHE   6   7.875  -8.104   1.688
   49   1HB   PHE   6          2HB       PHE   6   7.799  -8.951   3.948
   50   2HB   PHE   6          1HB       PHE   6   9.301  -9.488   3.201
   51    HD1  PHE   6           1HD      PHE   6  11.414  -8.151   3.710
   52    HD2  PHE   6           2HD      PHE   6   7.822  -7.800   5.966
   53    HE1  PHE   6           1HE      PHE   6  12.689  -7.192   5.584
   54    HE2  PHE   6           2HE      PHE   6   9.090  -6.840   7.843
   55    HZ   PHE   6           HZ       PHE   6  11.527  -6.534   7.653
   56    H    PHE   7           H        PHE   7   9.232  -5.267   1.954
   57    HA   PHE   7           HA       PHE   7   7.381  -4.131   3.837
   58   1HB   PHE   7          2HB       PHE   7   9.948  -3.550   3.470
   59   2HB   PHE   7          1HB       PHE   7   9.226  -2.384   2.368
   60    HD1  PHE   7           1HD      PHE   7   9.445  -0.341   3.360
   61    HD2  PHE   7           2HD      PHE   7   8.009  -3.614   5.657
   62    HE1  PHE   7           1HE      PHE   7   8.974   1.189   5.229
   63    HE2  PHE   7           2HE      PHE   7   7.520  -2.098   7.532
   64    HZ   PHE   7           HZ       PHE   7   8.003   0.308   7.321
   65    H    LYS   8           H        LYS   8   8.337  -3.448   0.575
   66    HA   LYS   8           HA       LYS   8   6.545  -1.509  -0.063
   67   1HB   LYS   8          2HB       LYS   8   6.688  -2.774  -2.398
   68   2HB   LYS   8          1HB       LYS   8   8.070  -1.928  -1.683
   69   1HG   LYS   8          2HG       LYS   8   8.798  -4.048  -2.430
   70   2HG   LYS   8          1HG       LYS   8   8.841  -3.989  -0.700
   71   1HD   LYS   8          2HD       LYS   8   7.983  -6.130  -1.692
   72   2HD   LYS   8          1HD       LYS   8   6.950  -5.362  -0.492
   73   1HE   LYS   8          2HE       LYS   8   5.293  -5.242  -1.917
   74   2HE   LYS   8          1HE       LYS   8   6.283  -4.345  -3.069
   75   1HZ   LYS   8          1HZ       LYS   8   6.195  -6.115  -4.382
   76   2HZ   LYS   8          2HZ       LYS   8   5.401  -7.033  -3.204
   77   3HZ   LYS   8          3HZ       LYS   8   7.091  -6.984  -3.241
   78    H    ARG   9           H        ARG   9   5.950  -4.772   0.674
   79    HA   ARG   9           HA       ARG   9   3.239  -4.858  -0.413
   80   1HB   ARG   9          2HB       ARG   9   5.075  -6.781   0.977
   81   2HB   ARG   9          1HB       ARG   9   3.344  -7.085   0.991
   82   1HG   ARG   9          2HG       ARG   9   3.372  -7.862  -1.088
   83   2HG   ARG   9          1HG       ARG   9   4.357  -6.514  -1.668
   84   1HD   ARG   9          2HD       ARG   9   6.083  -7.913  -1.805
   85   2HD   ARG   9          1HD       ARG   9   6.047  -8.038  -0.046
   86    HE   ARG   9           HE       ARG   9   4.877  -9.936  -1.950
   87   1HH1  ARG   9          1HH1      ARG   9   5.624  -9.036   1.334
   88   2HH1  ARG   9          2HH1      ARG   9   5.331 -10.620   1.971
   89   1HH2  ARG   9          1HH2      ARG   9   4.494 -12.025  -1.120
   90   2HH2  ARG   9          2HH2      ARG   9   4.688 -12.319   0.575
   91    H    ASN  10           H        ASN  10   4.980  -5.080   2.623
   92    HA   ASN  10           HA       ASN  10   2.756  -5.025   4.357
   93   1HB   ASN  10          2HB       ASN  10   4.742  -5.990   5.175
   94   2HB   ASN  10          1HB       ASN  10   5.713  -4.599   4.688
   95   1HD2  ASN  10          1HD2      ASN  10   6.562  -4.049   6.618
   96   2HD2  ASN  10          2HD2      ASN  10   5.638  -3.554   7.991
   97    H    ARG  11           H        ARG  11   5.332  -2.620   4.509
   98    HA   ARG  11           HA       ARG  11   5.330  -0.374   4.805
   99   1HB   ARG  11          2HB       ARG  11   4.295  -0.256   2.618
  100   2HB   ARG  11          1HB       ARG  11   2.715  -0.550   3.326
  101   1HG   ARG  11          2HG       ARG  11   2.479   1.662   3.342
  102   2HG   ARG  11          1HG       ARG  11   3.588   1.646   4.715
  103   1HD   ARG  11          2HD       ARG  11   4.499   1.820   1.852
  104   2HD   ARG  11          1HD       ARG  11   4.170   3.237   2.847
  105    HE   ARG  11           HE       ARG  11   6.330   1.286   3.287
  106   1HH1  ARG  11          1HH1      ARG  11   4.824   4.361   3.943
  107   2HH1  ARG  11          2HH1      ARG  11   6.196   5.000   4.785
  108   1HH2  ARG  11          1HH2      ARG  11   8.148   2.129   4.381
  109   2HH2  ARG  11          2HH2      ARG  11   8.085   3.731   5.034
  110   1H    LYS  12          1HT       LYS  12  17.339   4.664   0.344
  111   2H    LYS  12          2HT       LYS  12  16.033   5.479  -0.357
  112   3H    LYS  12          3HT       LYS  12  16.580   4.024  -1.025
  113    HA   LYS  12           HA       LYS  12  15.148   2.934   0.182
  114   1HB   LYS  12          2HB       LYS  12  17.168   2.873   1.689
  115   2HB   LYS  12          1HB       LYS  12  16.378   4.122   2.650
  116   1HG   LYS  12          2HG       LYS  12  14.369   2.354   2.486
  117   2HG   LYS  12          1HG       LYS  12  15.747   1.252   2.382
  118   1HD   LYS  12          2HD       LYS  12  15.092   1.476   4.668
  119   2HD   LYS  12          1HD       LYS  12  16.645   2.287   4.462
  120   1HE   LYS  12          2HE       LYS  12  14.077   3.787   4.230
  121   2HE   LYS  12          1HE       LYS  12  14.750   3.431   5.819
  122   1HZ   LYS  12          1HZ       LYS  12  15.726   5.249   3.756
  123   2HZ   LYS  12          2HZ       LYS  12  16.893   4.423   4.660
  124   3HZ   LYS  12          3HZ       LYS  12  15.760   5.406   5.440
  125    H    LEU  13           H        LEU  13  14.687   6.035  -0.166
  126    HA   LEU  13           HA       LEU  13  12.396   6.018   1.667
  127   1HB   LEU  13          2HB       LEU  13  13.950   8.362   0.581
  128   2HB   LEU  13          1HB       LEU  13  12.440   8.517   1.462
  129    HG   LEU  13           HG       LEU  13  13.818   8.793   3.235
  130   1HD1  LEU  13          1HD1      LEU  13  13.996   5.779   2.959
  131   2HD1  LEU  13          2HD1      LEU  13  12.703   6.694   3.748
  132   3HD1  LEU  13          3HD1      LEU  13  14.329   6.707   4.429
  133   1HD2  LEU  13          1HD2      LEU  13  15.775   8.032   1.346
  134   2HD2  LEU  13          2HD2      LEU  13  16.070   7.104   2.816
  135   3HD2  LEU  13          3HD2      LEU  13  16.003   8.864   2.885
  136    H    LEU  14           H        LEU  14  12.662   4.860  -0.987
  137    HA   LEU  14           HA       LEU  14  10.888   6.458  -2.660
  138   1HB   LEU  14          2HB       LEU  14  11.142   4.517  -4.236
  139   2HB   LEU  14          1HB       LEU  14  12.634   5.352  -3.852
  140    HG   LEU  14           HG       LEU  14  12.283   3.175  -2.007
  141   1HD1  LEU  14          1HD1      LEU  14  11.157   1.740  -3.323
  142   2HD1  LEU  14          2HD1      LEU  14  12.723   1.536  -4.109
  143   3HD1  LEU  14          3HD1      LEU  14  11.527   2.634  -4.798
  144   1HD2  LEU  14          1HD2      LEU  14  14.272   3.341  -4.248
  145   2HD2  LEU  14          2HD2      LEU  14  14.473   2.657  -2.634
  146   3HD2  LEU  14          3HD2      LEU  14  14.369   4.404  -2.845
  147    H    ILE  15           H        ILE  15  10.724   4.334  -0.151
  148    HA   ILE  15           HA       ILE  15   8.334   2.907  -0.924
  149    HB   ILE  15           HB       ILE  15   9.789   3.018   1.726
  150   1HG1  ILE  15          2HG1      ILE  15  11.149   2.172  -0.157
  151   2HG1  ILE  15          1HG1      ILE  15  10.830   0.942   1.061
  152   1HG2  ILE  15          1HG2      ILE  15   8.214   0.635   1.051
  153   2HG2  ILE  15          2HG2      ILE  15   7.257   2.097   1.317
  154   3HG2  ILE  15          3HG2      ILE  15   8.347   1.516   2.576
  155   1HD1  ILE  15          1HD1      ILE  15   9.503  -0.282  -0.322
  156   2HD1  ILE  15          2HD1      ILE  15  10.604   0.433  -1.504
  157   3HD1  ILE  15          3HD1      ILE  15   8.998   1.122  -1.265
  158    H    THR  16           H        THR  16   8.027   5.694  -1.027
  159    HA   THR  16           HA       THR  16   6.212   6.203   1.236
  160    HB   THR  16           HB       THR  16   6.663   8.633  -0.087
  161    HG1  THR  16           1HG      THR  16   9.173   7.518   0.502
  162   1HG2  THR  16          1HG2      THR  16   6.938   9.309   1.995
  163   2HG2  THR  16          2HG2      THR  16   8.426   8.374   2.146
  164   3HG2  THR  16          3HG2      THR  16   6.873   7.624   2.513
  165    H    ILE  17           H        ILE  17   6.654   7.141  -2.179
  166    HA   ILE  17           HA       ILE  17   3.742   7.223  -2.486
  167    HB   ILE  17           HB       ILE  17   5.096   9.167  -3.276
  168   1HG1  ILE  17          2HG1      ILE  17   3.932   9.409  -5.418
  169   2HG1  ILE  17          1HG1      ILE  17   3.638   7.675  -5.472
  170   1HG2  ILE  17          1HG2      ILE  17   6.289   7.021  -4.948
  171   2HG2  ILE  17          2HG2      ILE  17   7.076   8.371  -4.126
  172   3HG2  ILE  17          3HG2      ILE  17   6.168   8.650  -5.615
  173   1HD1  ILE  17          1HD1      ILE  17   1.896   7.799  -4.060
  174   2HD1  ILE  17          2HD1      ILE  17   1.852   9.477  -4.600
  175   3HD1  ILE  17          3HD1      ILE  17   2.640   9.060  -3.078
  176    H    HIS  18           H        HIS  18   6.622   5.572  -3.655
  177    HA   HIS  18           HA       HIS  18   5.401   4.158  -5.772
  178   1HB   HIS  18          2HB       HIS  18   7.615   3.815  -6.038
  179   2HB   HIS  18          1HB       HIS  18   7.953   4.081  -4.334
  180    HD1  HIS  18           1HD      HIS  18   7.675   1.938  -2.763
  181    HD2  HIS  18           2HD      HIS  18   7.659   1.203  -6.853
  182    HE1  HIS  18           1HE      HIS  18   8.097  -0.530  -3.004
  183    HE2  HIS  18           2HE      HIS  18   8.104  -0.949  -5.489
  184    H    ASP  19           H        ASP  19   5.621   3.659  -2.334
  185    HA   ASP  19           HA       ASP  19   4.547   1.004  -2.368
  186   1HB   ASP  19          2HB       ASP  19   5.629   2.820  -0.410
  187   2HB   ASP  19          1HB       ASP  19   4.111   2.139   0.170
  188    H    ARG  20           H        ARG  20   3.324   4.159  -2.598
  189    HA   ARG  20           HA       ARG  20   0.727   3.738  -1.517
  190   1HB   ARG  20          2HB       ARG  20   2.194   5.899  -2.642
  191   2HB   ARG  20          1HB       ARG  20   0.698   5.745  -3.555
  192   1HG   ARG  20          2HG       ARG  20  -0.237   6.971  -1.955
  193   2HG   ARG  20          1HG       ARG  20  -0.156   5.522  -0.953
  194   1HD   ARG  20          2HD       ARG  20   2.131   6.260  -0.236
  195   2HD   ARG  20          1HD       ARG  20   1.836   7.778  -1.082
  196    HE   ARG  20           HE       ARG  20   0.132   8.283   0.503
  197   1HH1  ARG  20          1HH1      ARG  20   1.981   5.423   1.251
  198   2HH1  ARG  20          2HH1      ARG  20   1.522   5.408   2.920
  199   1HH2  ARG  20          1HH2      ARG  20  -0.475   8.270   2.700
  200   2HH2  ARG  20          2HH2      ARG  20   0.127   7.025   3.744
  201    H    LYS  21           H        LYS  21   2.269   2.626  -4.255
  202    HA   LYS  21           HA       LYS  21  -0.280   2.099  -5.630
  203   1HB   LYS  21          2HB       LYS  21   2.003   1.659  -7.325
  204   2HB   LYS  21          1HB       LYS  21   0.642   2.750  -7.559
  205   1HG   LYS  21          2HG       LYS  21   1.754   4.548  -6.713
  206   2HG   LYS  21          1HG       LYS  21   2.788   3.564  -5.675
  207   1HD   LYS  21          2HD       LYS  21   4.338   4.095  -7.244
  208   2HD   LYS  21          1HD       LYS  21   3.633   2.698  -8.061
  209   1HE   LYS  21          2HE       LYS  21   2.027   4.377  -9.138
  210   2HE   LYS  21          1HE       LYS  21   3.146   5.617  -8.576
  211   1HZ   LYS  21          1HZ       LYS  21   3.628   4.962 -10.846
  212   2HZ   LYS  21          2HZ       LYS  21   3.830   3.352 -10.372
  213   3HZ   LYS  21          3HZ       LYS  21   4.911   4.533  -9.828
  214    H    GLU  22           H        GLU  22   2.767   0.808  -4.507
  215    HA   GLU  22           HA       GLU  22   2.568  -1.779  -5.584
  216   1HB   GLU  22          2HB       GLU  22   4.124  -0.415  -3.473
  217   2HB   GLU  22          1HB       GLU  22   3.981  -2.154  -3.307
  218   1HG   GLU  22          2HG       GLU  22   4.797  -1.016  -5.930
  219   2HG   GLU  22          1HG       GLU  22   5.967  -1.061  -4.604
  220    H    PHE  23           H        PHE  23   0.707  -0.201  -3.296
  221    HA   PHE  23           HA       PHE  23  -0.183  -2.724  -2.068
  222   1HB   PHE  23          2HB       PHE  23   0.736  -0.972  -0.526
  223   2HB   PHE  23          1HB       PHE  23  -0.588   0.079  -1.009
  224    HD1  PHE  23           1HD      PHE  23   0.254  -3.071   0.713
  225    HD2  PHE  23           2HD      PHE  23  -2.754  -0.170  -0.095
  226    HE1  PHE  23           1HE      PHE  23  -1.169  -4.066   2.457
  227    HE2  PHE  23           2HE      PHE  23  -4.182  -1.158   1.649
  228    HZ   PHE  23           HZ       PHE  23  -3.389  -3.109   2.927
  229    H    ALA  24           H        ALA  24  -1.364   0.419  -3.255
  230    HA   ALA  24           HA       ALA  24  -4.091  -0.514  -3.306
  231   1HB   ALA  24          1HB       ALA  24  -4.178   1.703  -2.890
  232   2HB   ALA  24          2HB       ALA  24  -4.239   1.793  -4.651
  233   3HB   ALA  24          3HB       ALA  24  -2.711   2.050  -3.808
  234    H    LYS  25           H        LYS  25  -2.498  -2.162  -4.817
  235    HA   LYS  25           HA       LYS  25  -2.605  -1.575  -7.611
  236   1HB   LYS  25          2HB       LYS  25  -2.460  -4.250  -7.577
  237   2HB   LYS  25          1HB       LYS  25  -1.064  -3.242  -7.216
  238   1HG   LYS  25          2HG       LYS  25  -0.884  -4.259  -5.254
  239   2HG   LYS  25          1HG       LYS  25  -2.444  -3.566  -4.783
  240   1HD   LYS  25          2HD       LYS  25  -2.681  -5.882  -4.473
  241   2HD   LYS  25          1HD       LYS  25  -3.501  -5.539  -5.997
  242   1HE   LYS  25          2HE       LYS  25  -0.639  -6.215  -6.203
  243   2HE   LYS  25          1HE       LYS  25  -1.693  -7.519  -5.657
  244   1HZ   LYS  25          1HZ       LYS  25  -1.464  -7.535  -8.052
  245   2HZ   LYS  25          2HZ       LYS  25  -2.029  -5.945  -8.154
  246   3HZ   LYS  25          3HZ       LYS  25  -3.061  -7.177  -7.626
  247    H    PHE  26           H        PHE  26  -4.325  -3.825  -5.551
  248    HA   PHE  26           HA       PHE  26  -6.743  -3.602  -7.218
  249   1HB   PHE  26          2HB       PHE  26  -6.057  -5.838  -7.456
  250   2HB   PHE  26          1HB       PHE  26  -5.439  -5.902  -5.809
  251    HD1  PHE  26           1HD      PHE  26  -6.727  -6.776  -4.082
  252    HD2  PHE  26           2HD      PHE  26  -8.575  -5.776  -7.782
  253    HE1  PHE  26           1HE      PHE  26  -8.801  -7.865  -3.334
  254    HE2  PHE  26           2HE      PHE  26 -10.654  -6.864  -7.041
  255    HZ   PHE  26           HZ       PHE  26 -10.770  -7.911  -4.815
  256    H    GLU  27           H        GLU  27  -5.187  -3.103  -4.321
  257    HA   GLU  27           HA       GLU  27  -7.148  -3.404  -2.368
  258   1HB   GLU  27          2HB       GLU  27  -4.602  -1.928  -2.686
  259   2HB   GLU  27          1HB       GLU  27  -5.666  -1.365  -1.418
  260   1HG   GLU  27          2HG       GLU  27  -4.325  -4.014  -1.707
  261   2HG   GLU  27          1HG       GLU  27  -4.265  -2.875  -0.356
  262    H    GLU  28           H        GLU  28  -6.516  -0.825  -4.663
  263    HA   GLU  28           HA       GLU  28  -8.121   1.173  -3.504
  264   1HB   GLU  28          2HB       GLU  28  -8.146   2.190  -5.743
  265   2HB   GLU  28          1HB       GLU  28  -6.531   1.663  -5.292
  266   1HG   GLU  28          2HG       GLU  28  -6.656  -0.227  -6.722
  267   2HG   GLU  28          1HG       GLU  28  -8.374   0.035  -7.016
  268    H    GLU  29           H        GLU  29  -8.917  -1.786  -4.869
  269    HA   GLU  29           HA       GLU  29 -11.682  -0.965  -5.438
  270   1HB   GLU  29          2HB       GLU  29 -10.467  -3.630  -6.145
  271   2HB   GLU  29          1HB       GLU  29 -11.886  -2.856  -6.842
  272   1HG   GLU  29          2HG       GLU  29  -9.298  -1.452  -7.123
  273   2HG   GLU  29          1HG       GLU  29  -9.529  -2.924  -8.065
  274    H    ARG  30           H        ARG  30  -9.652  -2.799  -3.354
  275    HA   ARG  30           HA       ARG  30 -11.844  -4.328  -2.208
  276   1HB   ARG  30          2HB       ARG  30  -9.091  -4.739  -2.455
  277   2HB   ARG  30          1HB       ARG  30  -9.345  -4.444  -0.740
  278   1HG   ARG  30          2HG       ARG  30 -10.947  -6.444  -2.306
  279   2HG   ARG  30          1HG       ARG  30  -9.442  -6.846  -1.478
  280   1HD   ARG  30          2HD       ARG  30 -11.801  -5.580  -0.099
  281   2HD   ARG  30          1HD       ARG  30 -11.566  -7.324  -0.202
  282    HE   ARG  30           HE       ARG  30 -10.068  -5.451   1.426
  283   1HH1  ARG  30          1HH1      ARG  30 -10.273  -8.662   0.089
  284   2HH1  ARG  30          2HH1      ARG  30  -9.205  -9.358   1.261
  285   1HH2  ARG  30          1HH2      ARG  30  -8.657  -6.357   2.971
  286   2HH2  ARG  30          2HH2      ARG  30  -8.287  -8.047   2.901
  287    H    ALA  31           H        ALA  31 -10.518  -1.284  -1.826
  288    HA   ALA  31           HA       ALA  31 -11.481  -1.114   0.954
  289   1HB   ALA  31          1HB       ALA  31  -9.760   1.079   0.191
  290   2HB   ALA  31          2HB       ALA  31  -8.953  -0.473  -0.024
  291   3HB   ALA  31          3HB       ALA  31  -9.623  -0.038   1.549
  292    H    ARG  32           H        ARG  32 -12.224  -0.369  -2.142
  293    HA   ARG  32           HA       ARG  32 -13.495   2.201  -1.520
  294   1HB   ARG  32          2HB       ARG  32 -12.199   1.274  -3.785
  295   2HB   ARG  32          1HB       ARG  32 -13.900   1.135  -4.208
  296   1HG   ARG  32          2HG       ARG  32 -12.981   3.279  -4.901
  297   2HG   ARG  32          1HG       ARG  32 -14.238   3.487  -3.679
  298   1HD   ARG  32          2HD       ARG  32 -12.125   3.353  -2.063
  299   2HD   ARG  32          1HD       ARG  32 -11.316   3.967  -3.506
  300    HE   ARG  32           HE       ARG  32 -13.712   5.358  -2.581
  301   1HH1  ARG  32          1HH1      ARG  32 -10.241   5.268  -2.884
  302   2HH1  ARG  32          2HH1      ARG  32 -10.043   6.962  -2.584
  303   1HH2  ARG  32          1HH2      ARG  32 -13.461   7.584  -2.182
  304   2HH2  ARG  32          2HH2      ARG  32 -11.874   8.279  -2.185
  305    H    ALA  33           H        ALA  33 -14.323  -0.939  -2.969
  306    HA   ALA  33           HA       ALA  33 -17.065  -0.547  -3.096
  307   1HB   ALA  33          1HB       ALA  33 -15.881  -3.233  -2.502
  308   2HB   ALA  33          2HB       ALA  33 -15.630  -2.436  -4.054
  309   3HB   ALA  33          3HB       ALA  33 -17.264  -2.825  -3.520
  310    H    LYS  34           H        LYS  34 -15.179  -0.726  -0.290
  311    HA   LYS  34           HA       LYS  34 -17.135  -2.016   1.359
  312   1HB   LYS  34          2HB       LYS  34 -15.540  -0.352   3.000
  313   2HB   LYS  34          1HB       LYS  34 -15.465  -2.095   2.827
  314   1HG   LYS  34          2HG       LYS  34 -13.686  -2.003   1.359
  315   2HG   LYS  34          1HG       LYS  34 -14.016  -0.334   0.882
  316   1HD   LYS  34          2HD       LYS  34 -12.066  -0.376   2.293
  317   2HD   LYS  34          1HD       LYS  34 -13.392   0.395   3.165
  318   1HE   LYS  34          2HE       LYS  34 -13.148  -2.517   3.535
  319   2HE   LYS  34          1HE       LYS  34 -11.822  -1.556   4.190
  320   1HZ   LYS  34          1HZ       LYS  34 -13.936  -0.174   5.049
  321   2HZ   LYS  34          2HZ       LYS  34 -13.185  -1.392   5.950
  322   3HZ   LYS  34          3HZ       LYS  34 -14.581  -1.738   5.058
  323    H    TRP  35           H        TRP  35 -16.073   1.347   0.994
  324    HA   TRP  35           HA       TRP  35 -18.457   2.269   2.394
  325   1HB   TRP  35          2HB       TRP  35 -17.349   4.529   2.087
  326   2HB   TRP  35          1HB       TRP  35 -16.472   3.385   3.096
  327    HD1  TRP  35           HD       TRP  35 -16.482   3.694  -0.758
  328    HE1  TRP  35           1HE      TRP  35 -14.090   4.060  -1.518
  329    HE3  TRP  35           3HE      TRP  35 -14.182   3.894   3.802
  330    HZ2  TRP  35           2HZ      TRP  35 -11.520   4.383  -0.382
  331    HZ3  TRP  35           3HZ      TRP  35 -11.744   4.225   3.874
  332    HH2  TRP  35           HH       TRP  35 -10.443   4.460   1.823
  333    H    ASP  36           H        ASP  36 -17.555   1.488  -0.672
  334    HA   ASP  36           HA       ASP  36 -19.423   3.401  -1.902
  335   1HB   ASP  36          2HB       ASP  36 -16.743   2.568  -2.616
  336   2HB   ASP  36          1HB       ASP  36 -17.874   2.208  -3.924
  Start of MODEL   18
    1   1H    MET   1          1HT       MET   1  15.640  -4.790  -4.130
    2   2H    MET   1          2HT       MET   1  14.310  -4.058  -3.384
    3   3H    MET   1          3HT       MET   1  15.136  -5.309  -2.602
    4    HA   MET   1           HA       MET   1  16.975  -3.299  -3.246
    5   1HB   MET   1          2HB       MET   1  14.615  -2.342  -1.631
    6   2HB   MET   1          1HB       MET   1  16.061  -1.424  -2.024
    7   1HG   MET   1          2HG       MET   1  14.214  -2.488  -4.134
    8   2HG   MET   1          1HG       MET   1  13.962  -0.928  -3.355
    9   1HE   MET   1          1HE       MET   1  16.850  -0.194  -2.741
   10   2HE   MET   1          2HE       MET   1  16.076   1.146  -3.589
   11   3HE   MET   1          3HE       MET   1  17.641   0.543  -4.136
   12    H    TRP   2           H        TRP   2  15.355  -2.928  -0.241
   13    HA   TRP   2           HA       TRP   2  17.371  -4.605   1.081
   14   1HB   TRP   2          2HB       TRP   2  16.319  -2.519   2.738
   15   2HB   TRP   2          1HB       TRP   2  17.984  -2.776   2.235
   16    HD1  TRP   2           HD       TRP   2  18.922  -1.109   0.472
   17    HE1  TRP   2           1HE      TRP   2  17.944   0.906  -0.798
   18    HE3  TRP   2           3HE      TRP   2  13.974  -1.703   1.649
   19    HZ2  TRP   2           2HZ      TRP   2  15.392   2.064  -1.200
   20    HZ3  TRP   2           3HZ      TRP   2  12.364  -0.064   0.762
   21    HH2  TRP   2           HH       TRP   2  13.080   1.757  -0.636
   22    H    LYS   3           H        LYS   3  14.814  -2.905   2.738
   23    HA   LYS   3           HA       LYS   3  13.739  -5.383   3.791
   24   1HB   LYS   3          2HB       LYS   3  12.463  -4.002   5.271
   25   2HB   LYS   3          1HB       LYS   3  14.073  -3.296   5.204
   26   1HG   LYS   3          2HG       LYS   3  12.100  -2.238   3.281
   27   2HG   LYS   3          1HG       LYS   3  11.788  -1.895   4.981
   28   1HD   LYS   3          2HD       LYS   3  13.950  -0.847   5.212
   29   2HD   LYS   3          1HD       LYS   3  14.386  -1.314   3.570
   30   1HE   LYS   3          2HE       LYS   3  13.750   1.012   3.629
   31   2HE   LYS   3          1HE       LYS   3  12.591   0.074   2.679
   32   1HZ   LYS   3          1HZ       LYS   3  11.004   0.880   3.978
   33   2HZ   LYS   3          2HZ       LYS   3  12.131   1.694   4.941
   34   3HZ   LYS   3          3HZ       LYS   3  11.690   0.105   5.316
   35    H    VAL   4           H        VAL   4  13.174  -3.015   1.469
   36    HA   VAL   4           HA       VAL   4  10.591  -2.834   0.951
   37    HB   VAL   4           HB       VAL   4  12.649  -1.963  -0.369
   38   1HG1  VAL   4          1HG1      VAL   4  13.603  -3.917  -1.246
   39   2HG1  VAL   4          2HG1      VAL   4  12.738  -3.224  -2.618
   40   3HG1  VAL   4          3HG1      VAL   4  12.038  -4.579  -1.726
   41   1HG2  VAL   4          1HG2      VAL   4  10.158  -1.520  -0.725
   42   2HG2  VAL   4          2HG2      VAL   4  10.271  -2.682  -2.047
   43   3HG2  VAL   4          3HG2      VAL   4  11.248  -1.215  -2.076
   44    H    GLY   5           H        GLY   5  12.614  -5.623   0.108
   45   1HA   GLY   5          2HA       GLY   5  11.159  -7.064  -1.585
   46   2HA   GLY   5          1HA       GLY   5  11.918  -7.831  -0.197
   47    H    PHE   6           H        PHE   6  10.402  -6.986   1.867
   48    HA   PHE   6           HA       PHE   6   7.711  -7.844   1.099
   49   1HB   PHE   6          2HB       PHE   6   7.504  -9.173   3.042
   50   2HB   PHE   6          1HB       PHE   6   9.116  -9.530   2.432
   51    HD1  PHE   6           1HD      PHE   6   7.243  -8.655   5.269
   52    HD2  PHE   6           2HD      PHE   6  11.038  -8.057   3.439
   53    HE1  PHE   6           1HE      PHE   6   8.196  -8.048   7.454
   54    HE2  PHE   6           2HE      PHE   6  11.997  -7.449   5.620
   55    HZ   PHE   6           HZ       PHE   6  10.576  -7.445   7.632
   56    H    PHE   7           H        PHE   7   9.302  -5.225   1.810
   57    HA   PHE   7           HA       PHE   7   7.606  -4.244   3.942
   58   1HB   PHE   7          2HB       PHE   7  10.168  -3.754   3.497
   59   2HB   PHE   7          1HB       PHE   7   9.486  -2.459   2.524
   60    HD1  PHE   7           1HD      PHE   7   9.772  -0.498   3.608
   61    HD2  PHE   7           2HD      PHE   7   8.434  -3.876   5.813
   62    HE1  PHE   7           1HE      PHE   7   9.484   0.924   5.593
   63    HE2  PHE   7           2HE      PHE   7   8.133  -2.465   7.807
   64    HZ   PHE   7           HZ       PHE   7   8.661  -0.059   7.699
   65    H    LYS   8           H        LYS   8   8.097  -3.782   0.551
   66    HA   LYS   8           HA       LYS   8   6.501  -1.473   0.341
   67   1HB   LYS   8          2HB       LYS   8   6.664  -1.898  -2.080
   68   2HB   LYS   8          1HB       LYS   8   8.179  -1.889  -1.187
   69   1HG   LYS   8          2HG       LYS   8   7.258  -3.839  -2.999
   70   2HG   LYS   8          1HG       LYS   8   8.734  -3.816  -2.053
   71   1HD   LYS   8          2HD       LYS   8   8.077  -5.582  -0.930
   72   2HD   LYS   8          1HD       LYS   8   6.651  -4.709  -0.360
   73   1HE   LYS   8          2HE       LYS   8   6.036  -6.765  -1.461
   74   2HE   LYS   8          1HE       LYS   8   5.443  -5.377  -2.374
   75   1HZ   LYS   8          1HZ       LYS   8   7.734  -7.142  -3.018
   76   2HZ   LYS   8          2HZ       LYS   8   7.522  -5.638  -3.759
   77   3HZ   LYS   8          3HZ       LYS   8   6.352  -6.844  -3.948
   78    H    ARG   9           H        ARG   9   5.664  -4.574   0.978
   79    HA   ARG   9           HA       ARG   9   2.939  -4.161  -0.039
   80   1HB   ARG   9          2HB       ARG   9   2.681  -6.441  -0.393
   81   2HB   ARG   9          1HB       ARG   9   4.372  -6.224  -0.807
   82   1HG   ARG   9          2HG       ARG   9   4.651  -6.771   1.789
   83   2HG   ARG   9          1HG       ARG   9   3.144  -7.634   1.476
   84   1HD   ARG   9          2HD       ARG   9   5.702  -7.968  -0.087
   85   2HD   ARG   9          1HD       ARG   9   5.134  -9.055   1.180
   86    HE   ARG   9           HE       ARG   9   3.104  -9.314  -0.358
   87   1HH1  ARG   9          1HH1      ARG   9   6.356  -8.747  -1.477
   88   2HH1  ARG   9          2HH1      ARG   9   6.104  -9.524  -3.004
   89   1HH2  ARG   9          1HH2      ARG   9   2.761 -10.329  -2.374
   90   2HH2  ARG   9          2HH2      ARG   9   4.063 -10.422  -3.514
   91    H    ASN  10           H        ASN  10   4.943  -3.965   2.441
   92    HA   ASN  10           HA       ASN  10   3.092  -4.812   4.544
   93   1HB   ASN  10          2HB       ASN  10   5.238  -5.808   4.764
   94   2HB   ASN  10          1HB       ASN  10   6.055  -4.271   4.415
   95   1HD2  ASN  10          1HD2      ASN  10   7.228  -4.665   6.399
   96   2HD2  ASN  10          2HD2      ASN  10   6.515  -4.281   7.924
   97    H    ARG  11           H        ARG  11   5.656  -2.407   4.646
   98    HA   ARG  11           HA       ARG  11   5.726  -0.235   5.272
   99   1HB   ARG  11          2HB       ARG  11   4.205   0.005   3.301
  100   2HB   ARG  11          1HB       ARG  11   2.848  -0.101   4.409
  101   1HG   ARG  11          2HG       ARG  11   2.988   2.137   4.383
  102   2HG   ARG  11          1HG       ARG  11   4.257   1.870   5.580
  103   1HD   ARG  11          2HD       ARG  11   4.849   1.948   2.641
  104   2HD   ARG  11          1HD       ARG  11   4.773   3.420   3.606
  105    HE   ARG  11           HE       ARG  11   6.736   1.247   3.930
  106   1HH1  ARG  11          1HH1      ARG  11   5.643   4.491   4.604
  107   2HH1  ARG  11          2HH1      ARG  11   7.152   4.995   5.290
  108   1HH2  ARG  11          1HH2      ARG  11   8.728   1.915   4.824
  109   2HH2  ARG  11          2HH2      ARG  11   8.902   3.530   5.419
  110   1H    LYS  12          1HT       LYS  12  15.225   5.404  -1.464
  111   2H    LYS  12          2HT       LYS  12  16.497   4.309  -1.265
  112   3H    LYS  12          3HT       LYS  12  16.422   5.698  -0.306
  113    HA   LYS  12           HA       LYS  12  14.762   3.285  -0.197
  114   1HB   LYS  12          2HB       LYS  12  16.817   3.405   1.143
  115   2HB   LYS  12          1HB       LYS  12  16.205   4.857   1.928
  116   1HG   LYS  12          2HG       LYS  12  14.157   3.013   2.250
  117   2HG   LYS  12          1HG       LYS  12  15.641   2.073   2.481
  118   1HD   LYS  12          2HD       LYS  12  16.327   3.350   4.282
  119   2HD   LYS  12          1HD       LYS  12  15.320   4.724   3.831
  120   1HE   LYS  12          2HE       LYS  12  14.153   2.093   4.684
  121   2HE   LYS  12          1HE       LYS  12  14.593   3.340   5.850
  122   1HZ   LYS  12          1HZ       LYS  12  12.344   3.218   4.053
  123   2HZ   LYS  12          2HZ       LYS  12  13.135   4.712   4.044
  124   3HZ   LYS  12          3HZ       LYS  12  12.532   4.083   5.494
  125    H    LEU  13           H        LEU  13  14.363   6.593  -0.322
  126    HA   LEU  13           HA       LEU  13  12.098   6.492   1.497
  127   1HB   LEU  13          2HB       LEU  13  13.113   8.861  -0.076
  128   2HB   LEU  13          1HB       LEU  13  11.965   8.890   1.252
  129    HG   LEU  13           HG       LEU  13  13.835   9.534   2.386
  130   1HD1  LEU  13          1HD1      LEU  13  14.035   6.513   2.398
  131   2HD1  LEU  13          2HD1      LEU  13  13.184   7.556   3.546
  132   3HD1  LEU  13          3HD1      LEU  13  14.946   7.574   3.483
  133   1HD2  LEU  13          1HD2      LEU  13  15.854   7.775   1.201
  134   2HD2  LEU  13          2HD2      LEU  13  15.913   9.502   1.553
  135   3HD2  LEU  13          3HD2      LEU  13  15.134   8.930   0.078
  136    H    LEU  14           H        LEU  14  12.497   5.267  -1.266
  137    HA   LEU  14           HA       LEU  14  10.397   6.401  -2.870
  138   1HB   LEU  14          2HB       LEU  14  10.744   4.431  -4.298
  139   2HB   LEU  14          1HB       LEU  14  12.258   5.239  -3.941
  140    HG   LEU  14           HG       LEU  14  11.992   3.283  -1.946
  141   1HD1  LEU  14          1HD1      LEU  14  10.216   2.294  -3.388
  142   2HD1  LEU  14          2HD1      LEU  14  11.599   1.237  -3.106
  143   3HD1  LEU  14          3HD1      LEU  14  11.432   2.076  -4.647
  144   1HD2  LEU  14          1HD2      LEU  14  13.882   4.191  -3.721
  145   2HD2  LEU  14          2HD2      LEU  14  13.626   2.524  -4.236
  146   3HD2  LEU  14          3HD2      LEU  14  14.095   2.872  -2.572
  147    H    ILE  15           H        ILE  15  10.662   4.517  -0.166
  148    HA   ILE  15           HA       ILE  15   8.343   2.846  -0.496
  149    HB   ILE  15           HB       ILE  15   9.906   3.472   2.018
  150   1HG1  ILE  15          2HG1      ILE  15  11.349   2.642   0.192
  151   2HG1  ILE  15          1HG1      ILE  15  11.256   1.535   1.559
  152   1HG2  ILE  15          1HG2      ILE  15   8.499   0.888   1.471
  153   2HG2  ILE  15          2HG2      ILE  15   7.580   2.279   2.056
  154   3HG2  ILE  15          3HG2      ILE  15   8.913   1.637   3.015
  155   1HD1  ILE  15          1HD1      ILE  15  10.145  -0.048   0.380
  156   2HD1  ILE  15          2HD1      ILE  15  11.066   0.703  -0.926
  157   3HD1  ILE  15          3HD1      ILE  15   9.372   1.126  -0.687
  158    H    THR  16           H        THR  16   8.516   6.000  -0.347
  159    HA   THR  16           HA       THR  16   6.614   6.531   1.782
  160    HB   THR  16           HB       THR  16   8.044   8.289  -0.209
  161    HG1  THR  16           1HG      THR  16   9.112   9.002   1.593
  162   1HG2  THR  16          1HG2      THR  16   5.912   9.341   0.128
  163   2HG2  THR  16          2HG2      THR  16   7.151  10.221   1.022
  164   3HG2  THR  16          3HG2      THR  16   6.050   9.140   1.874
  165    H    ILE  17           H        ILE  17   6.723   6.552  -1.765
  166    HA   ILE  17           HA       ILE  17   3.788   6.792  -1.748
  167    HB   ILE  17           HB       ILE  17   5.306   8.664  -2.835
  168   1HG1  ILE  17          2HG1      ILE  17   2.801   8.511  -2.766
  169   2HG1  ILE  17          1HG1      ILE  17   3.441   9.300  -4.203
  170   1HG2  ILE  17          1HG2      ILE  17   5.243   6.492  -4.893
  171   2HG2  ILE  17          2HG2      ILE  17   6.599   7.498  -4.373
  172   3HG2  ILE  17          3HG2      ILE  17   5.317   8.191  -5.367
  173   1HD1  ILE  17          1HD1      ILE  17   3.118   6.475  -4.656
  174   2HD1  ILE  17          2HD1      ILE  17   2.421   7.846  -5.523
  175   3HD1  ILE  17          3HD1      ILE  17   1.614   7.206  -4.092
  176    H    HIS  18           H        HIS  18   6.569   5.264  -3.353
  177    HA   HIS  18           HA       HIS  18   5.091   3.733  -5.176
  178   1HB   HIS  18          2HB       HIS  18   7.130   3.156  -5.847
  179   2HB   HIS  18          1HB       HIS  18   7.817   3.970  -4.448
  180    HD1  HIS  18           1HD      HIS  18   7.737   2.259  -2.199
  181    HD2  HIS  18           2HD      HIS  18   7.869   0.587  -5.999
  182    HE1  HIS  18           1HE      HIS  18   8.587  -0.083  -1.873
  183    HE2  HIS  18           2HE      HIS  18   8.582  -1.102  -4.177
  184    H    ASP  19           H        ASP  19   5.687   3.332  -1.783
  185    HA   ASP  19           HA       ASP  19   4.922   0.590  -1.646
  186   1HB   ASP  19          2HB       ASP  19   6.196   2.064   0.065
  187   2HB   ASP  19          1HB       ASP  19   4.590   2.520   0.626
  188    H    ARG  20           H        ARG  20   3.284   3.609  -1.820
  189    HA   ARG  20           HA       ARG  20   0.727   2.617  -0.956
  190   1HB   ARG  20          2HB       ARG  20   1.868   5.178  -1.781
  191   2HB   ARG  20          1HB       ARG  20   0.217   4.937  -2.332
  192   1HG   ARG  20          2HG       ARG  20  -0.393   5.721  -0.341
  193   2HG   ARG  20          1HG       ARG  20   0.101   4.151   0.296
  194   1HD   ARG  20          2HD       ARG  20   2.362   5.051   0.680
  195   2HD   ARG  20          1HD       ARG  20   1.816   6.624   0.103
  196    HE   ARG  20           HE       ARG  20   0.252   6.610   2.026
  197   1HH1  ARG  20          1HH1      ARG  20   3.108   4.610   2.105
  198   2HH1  ARG  20          2HH1      ARG  20   3.177   4.558   3.835
  199   1HH2  ARG  20          1HH2      ARG  20   0.343   6.550   4.300
  200   2HH2  ARG  20          2HH2      ARG  20   1.606   5.659   5.082
  201    H    LYS  21           H        LYS  21   2.595   2.682  -3.764
  202    HA   LYS  21           HA       LYS  21   0.383   2.290  -5.608
  203   1HB   LYS  21          2HB       LYS  21   1.862   2.806  -7.271
  204   2HB   LYS  21          1HB       LYS  21   2.761   3.507  -5.935
  205   1HG   LYS  21          2HG       LYS  21   4.274   1.774  -5.843
  206   2HG   LYS  21          1HG       LYS  21   3.200   0.674  -6.721
  207   1HD   LYS  21          2HD       LYS  21   3.939   3.073  -8.232
  208   2HD   LYS  21          1HD       LYS  21   5.308   2.039  -7.818
  209   1HE   LYS  21          2HE       LYS  21   4.277   0.150  -8.874
  210   2HE   LYS  21          1HE       LYS  21   2.784   1.050  -9.135
  211   1HZ   LYS  21          1HZ       LYS  21   5.141   2.282 -10.262
  212   2HZ   LYS  21          2HZ       LYS  21   3.612   2.046 -10.944
  213   3HZ   LYS  21          3HZ       LYS  21   4.743   0.790 -10.950
  214    H    GLU  22           H        GLU  22   2.955   0.540  -4.063
  215    HA   GLU  22           HA       GLU  22   2.440  -1.931  -5.412
  216   1HB   GLU  22          2HB       GLU  22   4.078  -1.272  -2.952
  217   2HB   GLU  22          1HB       GLU  22   4.140  -2.772  -3.857
  218   1HG   GLU  22          2HG       GLU  22   4.644  -0.243  -5.319
  219   2HG   GLU  22          1HG       GLU  22   5.895  -0.833  -4.214
  220    H    PHE  23           H        PHE  23   0.708  -0.183  -3.426
  221    HA   PHE  23           HA       PHE  23  -0.331  -2.395  -1.791
  222   1HB   PHE  23          2HB       PHE  23   0.389  -0.685  -0.339
  223   2HB   PHE  23          1HB       PHE  23  -0.202   0.586  -1.391
  224    HD1  PHE  23           1HD      PHE  23  -1.502  -2.295   0.591
  225    HD2  PHE  23           2HD      PHE  23  -2.098   1.695  -0.760
  226    HE1  PHE  23           1HE      PHE  23  -3.540  -2.139   1.960
  227    HE2  PHE  23           2HE      PHE  23  -4.138   1.858   0.602
  228    HZ   PHE  23           HZ       PHE  23  -4.861  -0.061   1.969
  229    H    ALA  24           H        ALA  24  -0.905  -0.355  -4.424
  230    HA   ALA  24           HA       ALA  24  -3.790  -0.378  -4.246
  231   1HB   ALA  24          1HB       ALA  24  -3.179   1.540  -5.314
  232   2HB   ALA  24          2HB       ALA  24  -3.405   0.496  -6.718
  233   3HB   ALA  24          3HB       ALA  24  -1.782   0.795  -6.093
  234    H    LYS  25           H        LYS  25  -3.154  -2.847  -4.008
  235    HA   LYS  25           HA       LYS  25  -2.900  -4.367  -6.409
  236   1HB   LYS  25          2HB       LYS  25  -3.708  -6.214  -4.787
  237   2HB   LYS  25          1HB       LYS  25  -2.176  -5.430  -4.419
  238   1HG   LYS  25          2HG       LYS  25  -3.931  -3.823  -3.076
  239   2HG   LYS  25          1HG       LYS  25  -4.710  -5.408  -2.941
  240   1HD   LYS  25          2HD       LYS  25  -1.857  -4.793  -2.174
  241   2HD   LYS  25          1HD       LYS  25  -3.215  -4.934  -1.054
  242   1HE   LYS  25          2HE       LYS  25  -2.906  -7.228  -2.845
  243   2HE   LYS  25          1HE       LYS  25  -1.534  -6.970  -1.770
  244   1HZ   LYS  25          1HZ       LYS  25  -3.838  -8.251  -1.121
  245   2HZ   LYS  25          2HZ       LYS  25  -4.057  -6.721  -0.435
  246   3HZ   LYS  25          3HZ       LYS  25  -2.704  -7.647  -0.020
  247    H    PHE  26           H        PHE  26  -5.451  -3.814  -4.093
  248    HA   PHE  26           HA       PHE  26  -7.520  -4.196  -6.134
  249   1HB   PHE  26          2HB       PHE  26  -8.289  -5.840  -4.814
  250   2HB   PHE  26          1HB       PHE  26  -7.034  -5.515  -3.643
  251    HD1  PHE  26           1HD      PHE  26  -7.449  -4.259  -1.668
  252    HD2  PHE  26           2HD      PHE  26 -10.533  -4.880  -4.534
  253    HE1  PHE  26           1HE      PHE  26  -9.114  -3.529  -0.020
  254    HE2  PHE  26           2HE      PHE  26 -12.212  -4.145  -2.889
  255    HZ   PHE  26           HZ       PHE  26 -11.504  -3.469  -0.627
  256    H    GLU  27           H        GLU  27  -5.971  -2.280  -3.880
  257    HA   GLU  27           HA       GLU  27  -7.985  -0.541  -2.997
  258   1HB   GLU  27          2HB       GLU  27  -5.001  -0.384  -3.275
  259   2HB   GLU  27          1HB       GLU  27  -5.911   1.011  -2.754
  260   1HG   GLU  27          2HG       GLU  27  -5.513  -1.600  -1.374
  261   2HG   GLU  27          1HG       GLU  27  -5.229   0.034  -0.776
  262    H    GLU  28           H        GLU  28  -6.157  -0.795  -5.947
  263    HA   GLU  28           HA       GLU  28  -6.757   1.826  -6.940
  264   1HB   GLU  28          2HB       GLU  28  -5.854   1.020  -9.056
  265   2HB   GLU  28          1HB       GLU  28  -4.802   0.533  -7.735
  266   1HG   GLU  28          2HG       GLU  28  -5.805  -1.707  -7.783
  267   2HG   GLU  28          1HG       GLU  28  -6.815  -1.209  -9.140
  268    H    GLU  29           H        GLU  29  -8.652  -0.690  -6.256
  269    HA   GLU  29           HA       GLU  29 -10.587  -0.078  -8.386
  270   1HB   GLU  29          2HB       GLU  29 -10.533  -2.673  -6.859
  271   2HB   GLU  29          1HB       GLU  29 -11.323  -2.319  -8.393
  272   1HG   GLU  29          2HG       GLU  29  -8.398  -2.003  -8.351
  273   2HG   GLU  29          1HG       GLU  29  -9.002  -3.652  -8.165
  274    H    ARG  30           H        ARG  30  -9.824   0.436  -5.285
  275    HA   ARG  30           HA       ARG  30 -12.607   0.388  -4.325
  276   1HB   ARG  30          2HB       ARG  30 -10.180  -0.520  -3.151
  277   2HB   ARG  30          1HB       ARG  30 -10.756   0.844  -2.202
  278   1HG   ARG  30          2HG       ARG  30 -12.427  -1.554  -2.911
  279   2HG   ARG  30          1HG       ARG  30 -11.541  -1.361  -1.397
  280   1HD   ARG  30          2HD       ARG  30 -13.867   0.239  -2.423
  281   2HD   ARG  30          1HD       ARG  30 -13.749  -0.684  -0.927
  282    HE   ARG  30           HE       ARG  30 -12.563   1.942  -1.450
  283   1HH1  ARG  30          1HH1      ARG  30 -13.182  -0.694   0.746
  284   2HH1  ARG  30          2HH1      ARG  30 -12.772   0.220   2.160
  285   1HH2  ARG  30          1HH2      ARG  30 -12.021   3.151   0.408
  286   2HH2  ARG  30          2HH2      ARG  30 -12.114   2.403   1.968
  287    H    ALA  31           H        ALA  31  -9.600   2.244  -3.806
  288    HA   ALA  31           HA       ALA  31 -11.219   4.644  -3.371
  289   1HB   ALA  31          1HB       ALA  31  -8.366   3.984  -2.694
  290   2HB   ALA  31          2HB       ALA  31  -9.708   4.289  -1.590
  291   3HB   ALA  31          3HB       ALA  31  -9.035   5.609  -2.549
  292    H    ARG  32           H        ARG  32 -10.006   3.198  -5.941
  293    HA   ARG  32           HA       ARG  32  -8.973   5.659  -7.188
  294   1HB   ARG  32          2HB       ARG  32  -7.908   3.116  -7.217
  295   2HB   ARG  32          1HB       ARG  32  -8.781   3.189  -8.740
  296   1HG   ARG  32          2HG       ARG  32  -6.417   3.844  -8.938
  297   2HG   ARG  32          1HG       ARG  32  -7.534   5.112  -9.439
  298   1HD   ARG  32          2HD       ARG  32  -7.249   5.833  -6.899
  299   2HD   ARG  32          1HD       ARG  32  -5.713   4.989  -7.096
  300    HE   ARG  32           HE       ARG  32  -6.359   7.547  -8.097
  301   1HH1  ARG  32          1HH1      ARG  32  -4.670   4.626  -8.980
  302   2HH1  ARG  32          2HH1      ARG  32  -3.586   5.430 -10.066
  303   1HH2  ARG  32          1HH2      ARG  32  -4.941   8.609  -9.524
  304   2HH2  ARG  32          2HH2      ARG  32  -3.739   7.697 -10.373
  305    H    ALA  33           H        ALA  33 -10.825   2.782  -8.188
  306    HA   ALA  33           HA       ALA  33 -12.022   3.789 -10.421
  307   1HB   ALA  33          1HB       ALA  33 -13.468   2.041  -8.442
  308   2HB   ALA  33          2HB       ALA  33 -12.208   1.457  -9.530
  309   3HB   ALA  33          3HB       ALA  33 -13.704   2.120 -10.188
  310    H    LYS  34           H        LYS  34 -12.730   4.624  -7.114
  311    HA   LYS  34           HA       LYS  34 -15.297   5.639  -7.293
  312   1HB   LYS  34          2HB       LYS  34 -14.453   7.400  -5.618
  313   2HB   LYS  34          1HB       LYS  34 -14.365   5.711  -5.140
  314   1HG   LYS  34          2HG       LYS  34 -11.999   5.663  -5.617
  315   2HG   LYS  34          1HG       LYS  34 -12.069   7.298  -6.270
  316   1HD   LYS  34          2HD       LYS  34 -11.165   7.197  -3.962
  317   2HD   LYS  34          1HD       LYS  34 -12.606   8.203  -4.107
  318   1HE   LYS  34          2HE       LYS  34 -13.482   5.582  -3.523
  319   2HE   LYS  34          1HE       LYS  34 -12.148   5.934  -2.426
  320   1HZ   LYS  34          1HZ       LYS  34 -13.438   8.165  -2.130
  321   2HZ   LYS  34          2HZ       LYS  34 -13.908   6.786  -1.271
  322   3HZ   LYS  34          3HZ       LYS  34 -14.760   7.250  -2.656
  323    H    TRP  35           H        TRP  35 -12.271   7.410  -7.776
  324    HA   TRP  35           HA       TRP  35 -13.700   9.493  -9.234
  325   1HB   TRP  35          2HB       TRP  35 -11.491  10.673  -9.098
  326   2HB   TRP  35          1HB       TRP  35 -12.223  10.334  -7.538
  327    HD1  TRP  35           HD       TRP  35  -9.940   8.165  -9.800
  328    HE1  TRP  35           1HE      TRP  35  -7.964   7.403  -8.402
  329    HE3  TRP  35           3HE      TRP  35 -11.087  10.507  -5.405
  330    HZ2  TRP  35           2HZ      TRP  35  -6.974   7.713  -5.771
  331    HZ3  TRP  35           3HZ      TRP  35  -9.573  10.211  -3.490
  332    HH2  TRP  35           HH       TRP  35  -7.559   8.842  -3.669
  333    H    ASP  36           H        ASP  36 -12.282   6.633  -9.827
  334    HA   ASP  36           HA       ASP  36 -11.199   7.442 -12.442
  335   1HB   ASP  36          2HB       ASP  36 -10.156   5.748 -10.424
  336   2HB   ASP  36          1HB       ASP  36 -10.606   4.706 -11.779
  Start of MODEL   19
    1   1H    MET   1          1HT       MET   1  15.135  -4.544  -4.297
    2   2H    MET   1          2HT       MET   1  14.180  -4.693  -2.909
    3   3H    MET   1          3HT       MET   1  15.517  -5.706  -3.126
    4    HA   MET   1           HA       MET   1  16.845  -3.511  -3.215
    5   1HB   MET   1          2HB       MET   1  14.387  -2.721  -1.652
    6   2HB   MET   1          1HB       MET   1  15.842  -1.754  -1.842
    7   1HG   MET   1          2HG       MET   1  13.993  -2.581  -4.069
    8   2HG   MET   1          1HG       MET   1  14.021  -1.001  -3.289
    9   1HE   MET   1          1HE       MET   1  16.613  -0.436  -2.634
   10   2HE   MET   1          2HE       MET   1  16.643   0.797  -3.895
   11   3HE   MET   1          3HE       MET   1  17.913  -0.424  -3.827
   12    H    TRP   2           H        TRP   2  15.164  -3.316  -0.244
   13    HA   TRP   2           HA       TRP   2  17.196  -4.989   1.069
   14   1HB   TRP   2          2HB       TRP   2  16.000  -2.993   2.761
   15   2HB   TRP   2          1HB       TRP   2  17.700  -3.204   2.351
   16    HD1  TRP   2           HD       TRP   2  18.693  -1.561   0.549
   17    HE1  TRP   2           1HE      TRP   2  17.761   0.516  -0.651
   18    HE3  TRP   2           3HE      TRP   2  13.741  -2.016   1.785
   19    HZ2  TRP   2           2HZ      TRP   2  15.248   1.766  -0.984
   20    HZ3  TRP   2           3HZ      TRP   2  12.177  -0.307   0.975
   21    HH2  TRP   2           HH       TRP   2  12.930   1.527  -0.393
   22    H    LYS   3           H        LYS   3  14.432  -3.360   2.450
   23    HA   LYS   3           HA       LYS   3  13.325  -5.923   3.354
   24   1HB   LYS   3          2HB       LYS   3  12.136  -4.647   5.022
   25   2HB   LYS   3          1HB       LYS   3  13.831  -4.176   5.083
   26   1HG   LYS   3          2HG       LYS   3  12.058  -2.558   3.350
   27   2HG   LYS   3          1HG       LYS   3  11.797  -2.436   5.089
   28   1HD   LYS   3          2HD       LYS   3  14.137  -1.830   5.410
   29   2HD   LYS   3          1HD       LYS   3  14.425  -1.993   3.678
   30   1HE   LYS   3          2HE       LYS   3  13.010  -0.167   3.167
   31   2HE   LYS   3          1HE       LYS   3  12.398  -0.100   4.827
   32   1HZ   LYS   3          1HZ       LYS   3  15.245   0.146   4.701
   33   2HZ   LYS   3          2HZ       LYS   3  14.112   1.146   5.461
   34   3HZ   LYS   3          3HZ       LYS   3  14.462   1.361   3.822
   35    H    VAL   4           H        VAL   4  12.988  -3.399   1.215
   36    HA   VAL   4           HA       VAL   4  10.418  -2.820   0.862
   37    HB   VAL   4           HB       VAL   4  12.488  -2.124  -0.509
   38   1HG1  VAL   4          1HG1      VAL   4  11.566  -4.609  -1.930
   39   2HG1  VAL   4          2HG1      VAL   4  13.208  -4.109  -1.514
   40   3HG1  VAL   4          3HG1      VAL   4  12.344  -3.296  -2.819
   41   1HG2  VAL   4          1HG2      VAL   4  10.242  -2.405  -2.386
   42   2HG2  VAL   4          2HG2      VAL   4  11.098  -0.965  -1.834
   43   3HG2  VAL   4          3HG2      VAL   4   9.845  -1.687  -0.825
   44    H    GLY   5           H        GLY   5  12.001  -5.749  -0.419
   45   1HA   GLY   5          2HA       GLY   5   9.989  -6.772  -1.941
   46   2HA   GLY   5          1HA       GLY   5  11.059  -7.785  -0.973
   47    H    PHE   6           H        PHE   6  10.123  -6.668   1.534
   48    HA   PHE   6           HA       PHE   6   7.415  -7.750   1.523
   49   1HB   PHE   6          2HB       PHE   6   8.276  -8.134   4.111
   50   2HB   PHE   6          1HB       PHE   6   8.170  -9.378   2.871
   51    HD1  PHE   6           1HD      PHE   6  10.390  -7.259   4.818
   52    HD2  PHE   6           2HD      PHE   6  10.163 -10.107   1.666
   53    HE1  PHE   6           1HE      PHE   6  12.820  -7.618   4.974
   54    HE2  PHE   6           2HE      PHE   6  12.591 -10.473   1.815
   55    HZ   PHE   6           HZ       PHE   6  13.922  -9.227   3.471
   56    H    PHE   7           H        PHE   7   8.883  -4.996   1.581
   57    HA   PHE   7           HA       PHE   7   7.423  -3.860   3.853
   58   1HB   PHE   7          2HB       PHE   7  10.013  -3.492   3.199
   59   2HB   PHE   7          1HB       PHE   7   9.276  -2.157   2.320
   60    HD1  PHE   7           1HD      PHE   7  10.405  -0.504   3.667
   61    HD2  PHE   7           2HD      PHE   7   7.777  -3.344   5.436
   62    HE1  PHE   7           1HE      PHE   7  10.324   0.855   5.713
   63    HE2  PHE   7           2HE      PHE   7   7.688  -1.995   7.486
   64    HZ   PHE   7           HZ       PHE   7   8.961   0.110   7.630
   65    H    LYS   8           H        LYS   8   7.974  -3.387   0.383
   66    HA   LYS   8           HA       LYS   8   6.262  -1.171   0.200
   67   1HB   LYS   8          2HB       LYS   8   6.167  -1.905  -2.312
   68   2HB   LYS   8          1HB       LYS   8   7.619  -1.229  -1.593
   69   1HG   LYS   8          2HG       LYS   8   8.123  -3.066  -3.091
   70   2HG   LYS   8          1HG       LYS   8   8.632  -3.398  -1.447
   71   1HD   LYS   8          2HD       LYS   8   7.509  -5.255  -2.863
   72   2HD   LYS   8          1HD       LYS   8   7.069  -5.080  -1.170
   73   1HE   LYS   8          2HE       LYS   8   4.953  -4.444  -1.666
   74   2HE   LYS   8          1HE       LYS   8   5.452  -3.522  -3.086
   75   1HZ   LYS   8          1HZ       LYS   8   4.998  -5.232  -4.415
   76   2HZ   LYS   8          2HZ       LYS   8   4.196  -5.937  -3.105
   77   3HZ   LYS   8          3HZ       LYS   8   5.806  -6.342  -3.426
   78    H    ARG   9           H        ARG   9   5.598  -4.348   0.807
   79    HA   ARG   9           HA       ARG   9   2.810  -4.073  -0.106
   80   1HB   ARG   9          2HB       ARG   9   2.704  -6.340  -0.495
   81   2HB   ARG   9          1HB       ARG   9   4.410  -6.070  -0.827
   82   1HG   ARG   9          2HG       ARG   9   4.699  -6.629   1.705
   83   2HG   ARG   9          1HG       ARG   9   3.122  -7.395   1.512
   84   1HD   ARG   9          2HD       ARG   9   5.029  -8.047  -0.608
   85   2HD   ARG   9          1HD       ARG   9   5.536  -8.575   0.996
   86    HE   ARG   9           HE       ARG   9   3.123  -9.442  -0.431
   87   1HH1  ARG   9          1HH1      ARG   9   5.323  -9.743   2.256
   88   2HH1  ARG   9          2HH1      ARG   9   4.677 -11.263   2.780
   89   1HH2  ARG   9          1HH2      ARG   9   2.268 -11.443   0.251
   90   2HH2  ARG   9          2HH2      ARG   9   2.941 -12.230   1.641
   91    H    ASN  10           H        ASN  10   4.844  -3.857   2.452
   92    HA   ASN  10           HA       ASN  10   2.871  -4.692   4.459
   93   1HB   ASN  10          2HB       ASN  10   5.088  -5.720   4.642
   94   2HB   ASN  10          1HB       ASN  10   5.828  -4.121   4.715
   95   1HD2  ASN  10          1HD2      ASN  10   6.511  -5.655   6.687
   96   2HD2  ASN  10          2HD2      ASN  10   5.673  -5.287   8.153
   97    H    ARG  11           H        ARG  11   5.495  -2.334   4.617
   98    HA   ARG  11           HA       ARG  11   5.584  -0.151   5.212
   99   1HB   ARG  11          2HB       ARG  11   4.013   0.147   3.314
  100   2HB   ARG  11          1HB       ARG  11   2.679  -0.040   4.441
  101   1HG   ARG  11          2HG       ARG  11   2.775   2.215   4.427
  102   2HG   ARG  11          1HG       ARG  11   3.974   1.917   5.687
  103   1HD   ARG  11          2HD       ARG  11   4.717   2.150   2.785
  104   2HD   ARG  11          1HD       ARG  11   4.608   3.556   3.844
  105    HE   ARG  11           HE       ARG  11   6.542   1.355   4.087
  106   1HH1  ARG  11          1HH1      ARG  11   5.433   4.538   4.975
  107   2HH1  ARG  11          2HH1      ARG  11   6.894   4.957   5.807
  108   1HH2  ARG  11          1HH2      ARG  11   8.472   1.901   5.174
  109   2HH2  ARG  11          2HH2      ARG  11   8.622   3.458   5.920
  110   1H    LYS  12          1HT       LYS  12  15.410   5.655  -1.168
  111   2H    LYS  12          2HT       LYS  12  15.845   4.195  -1.903
  112   3H    LYS  12          3HT       LYS  12  16.845   4.877  -0.722
  113    HA   LYS  12           HA       LYS  12  14.814   3.046  -0.382
  114   1HB   LYS  12          2HB       LYS  12  16.856   3.056   0.884
  115   2HB   LYS  12          1HB       LYS  12  16.465   4.628   1.575
  116   1HG   LYS  12          2HG       LYS  12  14.328   2.765   2.073
  117   2HG   LYS  12          1HG       LYS  12  15.875   2.103   2.627
  118   1HD   LYS  12          2HD       LYS  12  16.144   3.701   4.224
  119   2HD   LYS  12          1HD       LYS  12  15.313   4.939   3.282
  120   1HE   LYS  12          2HE       LYS  12  13.812   2.616   4.431
  121   2HE   LYS  12          1HE       LYS  12  14.191   4.021   5.424
  122   1HZ   LYS  12          1HZ       LYS  12  12.266   4.786   4.610
  123   2HZ   LYS  12          2HZ       LYS  12  12.271   3.738   3.281
  124   3HZ   LYS  12          3HZ       LYS  12  13.171   5.168   3.232
  125    H    LEU  13           H        LEU  13  14.505   6.428  -0.235
  126    HA   LEU  13           HA       LEU  13  12.300   6.265   1.624
  127   1HB   LEU  13          2HB       LEU  13  13.212   8.644   0.011
  128   2HB   LEU  13          1HB       LEU  13  12.165   8.664   1.419
  129    HG   LEU  13           HG       LEU  13  14.120   9.289   2.419
  130   1HD1  LEU  13          1HD1      LEU  13  14.357   6.266   2.382
  131   2HD1  LEU  13          2HD1      LEU  13  13.514   7.268   3.573
  132   3HD1  LEU  13          3HD1      LEU  13  15.271   7.342   3.450
  133   1HD2  LEU  13          1HD2      LEU  13  15.477   7.728   0.249
  134   2HD2  LEU  13          2HD2      LEU  13  16.362   8.289   1.668
  135   3HD2  LEU  13          3HD2      LEU  13  15.571   9.453   0.605
  136    H    LEU  14           H        LEU  14  12.396   4.955  -1.067
  137    HA   LEU  14           HA       LEU  14  10.263   6.183  -2.573
  138   1HB   LEU  14          2HB       LEU  14  10.389   4.005  -3.871
  139   2HB   LEU  14          1HB       LEU  14  11.827   5.007  -3.895
  140    HG   LEU  14           HG       LEU  14  11.854   2.997  -1.752
  141   1HD1  LEU  14          1HD1      LEU  14  12.172   1.081  -3.149
  142   2HD1  LEU  14          2HD1      LEU  14  11.973   2.048  -4.610
  143   3HD1  LEU  14          3HD1      LEU  14  10.602   1.789  -3.532
  144   1HD2  LEU  14          1HD2      LEU  14  14.020   2.649  -3.424
  145   2HD2  LEU  14          2HD2      LEU  14  13.964   3.678  -1.995
  146   3HD2  LEU  14          3HD2      LEU  14  13.650   4.365  -3.588
  147    H    ILE  15           H        ILE  15  10.627   4.192   0.093
  148    HA   ILE  15           HA       ILE  15   8.228   2.652  -0.135
  149    HB   ILE  15           HB       ILE  15   9.815   3.214   2.370
  150   1HG1  ILE  15          2HG1      ILE  15  11.355   2.481   0.675
  151   2HG1  ILE  15          1HG1      ILE  15  11.081   1.171   1.819
  152   1HG2  ILE  15          1HG2      ILE  15   8.351   0.696   1.666
  153   2HG2  ILE  15          2HG2      ILE  15   7.525   2.051   2.438
  154   3HG2  ILE  15          3HG2      ILE  15   8.876   1.261   3.253
  155   1HD1  ILE  15          1HD1      ILE  15  10.459  -0.161   0.185
  156   2HD1  ILE  15          2HD1      ILE  15  10.825   1.121  -0.971
  157   3HD1  ILE  15          3HD1      ILE  15   9.196   0.967  -0.308
  158    H    THR  16           H        THR  16   8.626   5.832   0.176
  159    HA   THR  16           HA       THR  16   6.412   6.217   2.061
  160    HB   THR  16           HB       THR  16   8.798   7.772   1.364
  161    HG1  THR  16           1HG      THR  16   8.474   8.505   3.465
  162   1HG2  THR  16          1HG2      THR  16   7.864   9.968   1.698
  163   2HG2  THR  16          2HG2      THR  16   6.235   9.295   1.775
  164   3HG2  THR  16          3HG2      THR  16   7.149   9.224   0.268
  165    H    ILE  17           H        ILE  17   7.364   6.406  -1.237
  166    HA   ILE  17           HA       ILE  17   4.730   7.524  -1.918
  167    HB   ILE  17           HB       ILE  17   7.412   8.166  -2.985
  168   1HG1  ILE  17          2HG1      ILE  17   6.037   9.738  -1.654
  169   2HG1  ILE  17          1HG1      ILE  17   6.399  10.363  -3.261
  170   1HG2  ILE  17          1HG2      ILE  17   5.137   7.453  -4.725
  171   2HG2  ILE  17          2HG2      ILE  17   6.873   7.420  -5.049
  172   3HG2  ILE  17          3HG2      ILE  17   5.992   8.948  -5.122
  173   1HD1  ILE  17          1HD1      ILE  17   3.951   8.938  -3.405
  174   2HD1  ILE  17          2HD1      ILE  17   4.243  10.665  -3.626
  175   3HD1  ILE  17          3HD1      ILE  17   3.880  10.032  -2.020
  176    H    HIS  18           H        HIS  18   7.347   5.661  -3.520
  177    HA   HIS  18           HA       HIS  18   5.774   4.394  -5.398
  178   1HB   HIS  18          2HB       HIS  18   7.765   3.580  -5.982
  179   2HB   HIS  18          1HB       HIS  18   8.447   4.198  -4.484
  180    HD1  HIS  18           1HD      HIS  18   8.273   2.443  -2.399
  181    HD2  HIS  18           2HD      HIS  18   7.820   0.889  -6.224
  182    HE1  HIS  18           1HE      HIS  18   8.682  -0.027  -2.172
  183    HE2  HIS  18           2HE      HIS  18   8.412  -0.949  -4.501
  184    H    ASP  19           H        ASP  19   5.857   3.929  -2.038
  185    HA   ASP  19           HA       ASP  19   4.916   1.245  -1.923
  186   1HB   ASP  19          2HB       ASP  19   5.504   3.420  -0.071
  187   2HB   ASP  19          1HB       ASP  19   4.113   2.461   0.424
  188    H    ARG  20           H        ARG  20   3.363   4.422  -1.812
  189    HA   ARG  20           HA       ARG  20   0.770   3.617  -1.218
  190   1HB   ARG  20          2HB       ARG  20   0.149   5.774  -1.690
  191   2HB   ARG  20          1HB       ARG  20   1.887   5.998  -1.537
  192   1HG   ARG  20          2HG       ARG  20   1.527   5.349  -4.200
  193   2HG   ARG  20          1HG       ARG  20   0.171   6.415  -3.817
  194   1HD   ARG  20          2HD       ARG  20   3.022   7.039  -3.088
  195   2HD   ARG  20          1HD       ARG  20   2.284   7.553  -4.611
  196    HE   ARG  20           HE       ARG  20   1.941   8.761  -2.067
  197   1HH1  ARG  20          1HH1      ARG  20   0.222   7.991  -4.999
  198   2HH1  ARG  20          2HH1      ARG  20  -0.902   9.297  -4.835
  199   1HH2  ARG  20          1HH2      ARG  20   0.464  10.484  -1.844
  200   2HH2  ARG  20          2HH2      ARG  20  -0.765  10.714  -3.042
  201    H    LYS  21           H        LYS  21   2.606   3.218  -4.053
  202    HA   LYS  21           HA       LYS  21   0.254   2.569  -5.673
  203   1HB   LYS  21          2HB       LYS  21   2.858   2.178  -6.937
  204   2HB   LYS  21          1HB       LYS  21   1.479   3.115  -7.487
  205   1HG   LYS  21          2HG       LYS  21   2.190   5.037  -6.366
  206   2HG   LYS  21          1HG       LYS  21   3.307   4.136  -5.337
  207   1HD   LYS  21          2HD       LYS  21   4.837   4.906  -6.815
  208   2HD   LYS  21          1HD       LYS  21   4.302   3.513  -7.756
  209   1HE   LYS  21          2HE       LYS  21   3.272   4.787  -9.302
  210   2HE   LYS  21          1HE       LYS  21   2.690   5.944  -8.107
  211   1HZ   LYS  21          1HZ       LYS  21   5.268   6.506  -8.053
  212   2HZ   LYS  21          2HZ       LYS  21   4.203   7.244  -9.139
  213   3HZ   LYS  21          3HZ       LYS  21   5.163   5.949  -9.647
  214    H    GLU  22           H        GLU  22   2.929   1.167  -4.000
  215    HA   GLU  22           HA       GLU  22   2.738  -1.425  -5.202
  216   1HB   GLU  22          2HB       GLU  22   4.217  -0.214  -2.888
  217   2HB   GLU  22          1HB       GLU  22   4.183  -1.952  -3.104
  218   1HG   GLU  22          2HG       GLU  22   4.925  -0.359  -5.466
  219   2HG   GLU  22          1HG       GLU  22   6.073  -0.361  -4.121
  220    H    PHE  23           H        PHE  23   0.715   0.242  -3.289
  221    HA   PHE  23           HA       PHE  23  -0.150  -2.088  -1.714
  222   1HB   PHE  23          2HB       PHE  23   0.413  -0.127  -0.371
  223   2HB   PHE  23          1HB       PHE  23  -0.704   0.858  -1.303
  224    HD1  PHE  23           1HD      PHE  23  -0.764  -2.348   0.613
  225    HD2  PHE  23           2HD      PHE  23  -2.698   1.330  -0.300
  226    HE1  PHE  23           1HE      PHE  23  -2.553  -2.899   2.209
  227    HE2  PHE  23           2HE      PHE  23  -4.492   0.787   1.291
  228    HZ   PHE  23           HZ       PHE  23  -4.420  -1.329   2.550
  229    H    ALA  24           H        ALA  24  -0.969  -0.014  -4.316
  230    HA   ALA  24           HA       ALA  24  -3.817  -0.489  -4.162
  231   1HB   ALA  24          1HB       ALA  24  -3.344   1.578  -5.101
  232   2HB   ALA  24          2HB       ALA  24  -3.702   0.583  -6.514
  233   3HB   ALA  24          3HB       ALA  24  -2.028   0.943  -6.091
  234    H    LYS  25           H        LYS  25  -2.656  -2.861  -4.066
  235    HA   LYS  25           HA       LYS  25  -2.373  -4.156  -6.609
  236   1HB   LYS  25          2HB       LYS  25  -2.698  -6.215  -4.976
  237   2HB   LYS  25          1HB       LYS  25  -1.206  -5.283  -4.960
  238   1HG   LYS  25          2HG       LYS  25  -1.506  -4.981  -2.782
  239   2HG   LYS  25          1HG       LYS  25  -2.897  -3.957  -3.173
  240   1HD   LYS  25          2HD       LYS  25  -3.505  -5.699  -1.572
  241   2HD   LYS  25          1HD       LYS  25  -4.358  -5.916  -3.101
  242   1HE   LYS  25          2HE       LYS  25  -1.783  -7.333  -2.853
  243   2HE   LYS  25          1HE       LYS  25  -3.071  -7.897  -1.788
  244   1HZ   LYS  25          1HZ       LYS  25  -3.331  -9.152  -3.706
  245   2HZ   LYS  25          2HZ       LYS  25  -3.007  -7.853  -4.739
  246   3HZ   LYS  25          3HZ       LYS  25  -4.477  -7.923  -3.906
  247    H    PHE  26           H        PHE  26  -4.672  -4.501  -3.971
  248    HA   PHE  26           HA       PHE  26  -6.801  -5.219  -5.865
  249   1HB   PHE  26          2HB       PHE  26  -6.553  -7.047  -4.404
  250   2HB   PHE  26          1HB       PHE  26  -6.189  -6.002  -3.035
  251    HD1  PHE  26           1HD      PHE  26  -7.837  -5.458  -1.510
  252    HD2  PHE  26           2HD      PHE  26  -8.950  -6.986  -5.321
  253    HE1  PHE  26           1HE      PHE  26 -10.177  -5.610  -0.761
  254    HE2  PHE  26           2HE      PHE  26 -11.292  -7.140  -4.581
  255    HZ   PHE  26           HZ       PHE  26 -11.908  -6.451  -2.299
  256    H    GLU  27           H        GLU  27  -5.514  -2.977  -3.805
  257    HA   GLU  27           HA       GLU  27  -7.715  -1.706  -2.653
  258   1HB   GLU  27          2HB       GLU  27  -4.881  -1.142  -3.181
  259   2HB   GLU  27          1HB       GLU  27  -5.883   0.285  -3.052
  260   1HG   GLU  27          2HG       GLU  27  -5.367  -1.833  -1.017
  261   2HG   GLU  27          1HG       GLU  27  -5.084  -0.094  -0.895
  262    H    GLU  28           H        GLU  28  -6.408  -1.642  -5.871
  263    HA   GLU  28           HA       GLU  28  -7.687   0.756  -6.732
  264   1HB   GLU  28          2HB       GLU  28  -7.126  -0.016  -9.001
  265   2HB   GLU  28          1HB       GLU  28  -5.745  -0.129  -7.918
  266   1HG   GLU  28          2HG       GLU  28  -5.886  -2.463  -7.798
  267   2HG   GLU  28          1HG       GLU  28  -7.519  -2.483  -8.461
  268    H    GLU  29           H        GLU  29  -8.845  -2.222  -5.862
  269    HA   GLU  29           HA       GLU  29 -11.227  -2.011  -7.577
  270   1HB   GLU  29          2HB       GLU  29 -10.600  -4.428  -5.917
  271   2HB   GLU  29          1HB       GLU  29 -11.520  -4.318  -7.411
  272   1HG   GLU  29          2HG       GLU  29  -8.727  -3.544  -7.711
  273   2HG   GLU  29          1HG       GLU  29  -8.948  -5.209  -7.172
  274    H    ARG  30           H        ARG  30 -10.056  -2.309  -4.284
  275    HA   ARG  30           HA       ARG  30 -12.613  -2.468  -3.037
  276   1HB   ARG  30          2HB       ARG  30 -10.008  -2.819  -2.223
  277   2HB   ARG  30          1HB       ARG  30 -10.446  -1.307  -1.440
  278   1HG   ARG  30          2HG       ARG  30 -12.174  -3.747  -1.235
  279   2HG   ARG  30          1HG       ARG  30 -10.818  -3.465  -0.143
  280   1HD   ARG  30          2HD       ARG  30 -13.370  -1.931  -0.435
  281   2HD   ARG  30          1HD       ARG  30 -12.610  -2.567   1.022
  282    HE   ARG  30           HE       ARG  30 -11.071  -0.516  -0.274
  283   1HH1  ARG  30          1HH1      ARG  30 -13.642  -1.158   1.989
  284   2HH1  ARG  30          2HH1      ARG  30 -13.455   0.348   2.823
  285   1HH2  ARG  30          1HH2      ARG  30 -10.821   1.467   0.815
  286   2HH2  ARG  30          2HH2      ARG  30 -11.852   1.841   2.156
  287    H    ALA  31           H        ALA  31 -10.966   0.034  -4.548
  288    HA   ALA  31           HA       ALA  31 -12.585   2.060  -3.158
  289   1HB   ALA  31          1HB       ALA  31  -9.745   1.988  -3.744
  290   2HB   ALA  31          2HB       ALA  31 -10.650   3.071  -2.685
  291   3HB   ALA  31          3HB       ALA  31 -10.520   3.427  -4.408
  292    H    ARG  32           H        ARG  32 -12.535   0.286  -5.798
  293    HA   ARG  32           HA       ARG  32 -13.119   2.413  -7.721
  294   1HB   ARG  32          2HB       ARG  32 -11.826  -0.004  -7.985
  295   2HB   ARG  32          1HB       ARG  32 -13.430  -0.358  -8.614
  296   1HG   ARG  32          2HG       ARG  32 -11.888   0.334 -10.376
  297   2HG   ARG  32          1HG       ARG  32 -13.236   1.460 -10.206
  298   1HD   ARG  32          2HD       ARG  32 -11.542   2.671  -8.572
  299   2HD   ARG  32          1HD       ARG  32 -10.355   1.827  -9.567
  300    HE   ARG  32           HE       ARG  32 -11.853   4.118 -10.297
  301   1HH1  ARG  32          1HH1      ARG  32 -10.568   1.146 -11.590
  302   2HH1  ARG  32          2HH1      ARG  32 -10.455   1.752 -13.209
  303   1HH2  ARG  32          1HH2      ARG  32 -11.710   4.918 -12.425
  304   2HH2  ARG  32          2HH2      ARG  32 -11.102   3.896 -13.683
  305    H    ALA  33           H        ALA  33 -14.619  -0.642  -6.657
  306    HA   ALA  33           HA       ALA  33 -17.066  -0.293  -7.860
  307   1HB   ALA  33          1HB       ALA  33 -16.212  -2.335  -6.637
  308   2HB   ALA  33          2HB       ALA  33 -17.921  -1.956  -6.418
  309   3HB   ALA  33          3HB       ALA  33 -16.760  -1.560  -5.151
  310    H    LYS  34           H        LYS  34 -15.787   1.555  -5.269
  311    HA   LYS  34           HA       LYS  34 -18.247   2.247  -4.033
  312   1HB   LYS  34          2HB       LYS  34 -16.491   4.456  -3.793
  313   2HB   LYS  34          1HB       LYS  34 -16.910   3.265  -2.578
  314   1HG   LYS  34          2HG       LYS  34 -14.992   2.020  -2.955
  315   2HG   LYS  34          1HG       LYS  34 -14.722   2.706  -4.563
  316   1HD   LYS  34          2HD       LYS  34 -13.120   3.718  -3.158
  317   2HD   LYS  34          1HD       LYS  34 -14.376   4.932  -3.400
  318   1HE   LYS  34          2HE       LYS  34 -15.290   3.661  -1.181
  319   2HE   LYS  34          1HE       LYS  34 -13.547   3.523  -0.957
  320   1HZ   LYS  34          1HZ       LYS  34 -15.243   5.861  -0.833
  321   2HZ   LYS  34          2HZ       LYS  34 -13.796   6.090  -1.677
  322   3HZ   LYS  34          3HZ       LYS  34 -13.763   5.555  -0.073
  323    H    TRP  35           H        TRP  35 -16.197   4.060  -6.296
  324    HA   TRP  35           HA       TRP  35 -18.408   5.836  -6.925
  325   1HB   TRP  35          2HB       TRP  35 -16.667   6.966  -8.359
  326   2HB   TRP  35          1HB       TRP  35 -16.302   6.933  -6.639
  327    HD1  TRP  35           HD       TRP  35 -15.670   4.206  -9.304
  328    HE1  TRP  35           1HE      TRP  35 -13.188   3.675  -9.304
  329    HE3  TRP  35           3HE      TRP  35 -14.091   7.623  -5.848
  330    HZ2  TRP  35           2HZ      TRP  35 -10.823   4.549  -8.019
  331    HZ3  TRP  35           3HZ      TRP  35 -11.697   7.702  -5.284
  332    HH2  TRP  35           HH       TRP  35 -10.102   6.193  -6.346
  333    H    ASP  36           H        ASP  36 -17.305   2.903  -7.948
  334    HA   ASP  36           HA       ASP  36 -18.277   3.299 -10.697
  335   1HB   ASP  36          2HB       ASP  36 -15.930   1.989  -9.626
  336   2HB   ASP  36          1HB       ASP  36 -16.907   0.847 -10.554
  Start of MODEL   20
    1   1H    MET   1          1HT       MET   1  15.150  -5.419  -2.001
    2   2H    MET   1          2HT       MET   1  16.339  -5.580  -3.194
    3   3H    MET   1          3HT       MET   1  15.052  -4.506  -3.421
    4    HA   MET   1           HA       MET   1  17.356  -3.617  -2.687
    5   1HB   MET   1          2HB       MET   1  14.764  -2.777  -1.385
    6   2HB   MET   1          1HB       MET   1  16.206  -1.781  -1.517
    7   1HG   MET   1          2HG       MET   1  14.654  -2.856  -3.859
    8   2HG   MET   1          1HG       MET   1  14.455  -1.245  -3.176
    9   1HE   MET   1          1HE       MET   1  16.981  -0.521  -2.234
   10   2HE   MET   1          2HE       MET   1  17.013   0.707  -3.499
   11   3HE   MET   1          3HE       MET   1  18.368  -0.407  -3.320
   12    H    TRP   2           H        TRP   2  15.497  -3.188   0.157
   13    HA   TRP   2           HA       TRP   2  17.492  -4.666   1.729
   14   1HB   TRP   2          2HB       TRP   2  16.209  -2.550   3.174
   15   2HB   TRP   2          1HB       TRP   2  17.918  -2.731   2.801
   16    HD1  TRP   2           HD       TRP   2  18.885  -1.166   0.937
   17    HE1  TRP   2           1HE      TRP   2  17.884   0.719  -0.506
   18    HE3  TRP   2           3HE      TRP   2  13.912  -1.855   1.965
   19    HZ2  TRP   2           2HZ      TRP   2  15.313   1.755  -1.079
   20    HZ3  TRP   2           3HZ      TRP   2  12.283  -0.334   0.921
   21    HH2  TRP   2           HH       TRP   2  12.990   1.413  -0.575
   22    H    LYS   3           H        LYS   3  14.657  -3.000   2.924
   23    HA   LYS   3           HA       LYS   3  13.593  -5.500   4.008
   24   1HB   LYS   3          2HB       LYS   3  12.195  -4.123   5.388
   25   2HB   LYS   3          1HB       LYS   3  13.819  -3.451   5.470
   26   1HG   LYS   3          2HG       LYS   3  12.039  -2.323   3.404
   27   2HG   LYS   3          1HG       LYS   3  11.592  -1.996   5.077
   28   1HD   LYS   3          2HD       LYS   3  13.748  -1.000   5.505
   29   2HD   LYS   3          1HD       LYS   3  14.313  -1.461   3.901
   30   1HE   LYS   3          2HE       LYS   3  13.753   0.855   3.858
   31   2HE   LYS   3          1HE       LYS   3  12.567  -0.041   2.899
   32   1HZ   LYS   3          1HZ       LYS   3  11.067   1.049   4.118
   33   2HZ   LYS   3          2HZ       LYS   3  12.201   1.546   5.269
   34   3HZ   LYS   3          3HZ       LYS   3  11.483   0.021   5.395
   35    H    VAL   4           H        VAL   4  13.216  -3.195   1.605
   36    HA   VAL   4           HA       VAL   4  10.685  -2.945   0.913
   37    HB   VAL   4           HB       VAL   4  12.926  -2.303  -0.301
   38   1HG1  VAL   4          1HG1      VAL   4  12.024  -4.804  -1.699
   39   2HG1  VAL   4          2HG1      VAL   4  13.650  -4.338  -1.197
   40   3HG1  VAL   4          3HG1      VAL   4  12.889  -3.535  -2.570
   41   1HG2  VAL   4          1HG2      VAL   4  11.669  -1.238  -1.868
   42   2HG2  VAL   4          2HG2      VAL   4  10.418  -1.667  -0.704
   43   3HG2  VAL   4          3HG2      VAL   4  10.640  -2.639  -2.159
   44    H    GLY   5           H        GLY   5  12.639  -5.837   0.291
   45   1HA   GLY   5          2HA       GLY   5  11.196  -7.272  -1.419
   46   2HA   GLY   5          1HA       GLY   5  11.884  -8.027   0.011
   47    H    PHE   6           H        PHE   6  10.301  -6.989   1.989
   48    HA   PHE   6           HA       PHE   6   7.626  -7.843   1.162
   49   1HB   PHE   6          2HB       PHE   6   7.379  -8.629   3.598
   50   2HB   PHE   6          1HB       PHE   6   8.365  -9.619   2.526
   51    HD1  PHE   6           1HD      PHE   6  10.579 -10.106   3.060
   52    HD2  PHE   6           2HD      PHE   6   8.560  -6.984   5.129
   53    HE1  PHE   6           1HE      PHE   6  12.461  -9.939   4.635
   54    HE2  PHE   6           2HE      PHE   6  10.440  -6.809   6.707
   55    HZ   PHE   6           HZ       PHE   6  12.394  -8.288   6.460
   56    H    PHE   7           H        PHE   7   9.244  -5.225   1.769
   57    HA   PHE   7           HA       PHE   7   7.422  -4.055   3.714
   58   1HB   PHE   7          2HB       PHE   7  10.047  -3.733   3.510
   59   2HB   PHE   7          1HB       PHE   7   9.548  -2.461   2.399
   60    HD1  PHE   7           1HD      PHE   7   8.139  -3.637   5.651
   61    HD2  PHE   7           2HD      PHE   7   9.764  -0.425   3.385
   62    HE1  PHE   7           1HE      PHE   7   7.688  -2.099   7.517
   63    HE2  PHE   7           2HE      PHE   7   9.330   1.119   5.245
   64    HZ   PHE   7           HZ       PHE   7   8.283   0.285   7.315
   65    H    LYS   8           H        LYS   8   8.414  -3.610   0.367
   66    HA   LYS   8           HA       LYS   8   6.877  -1.327  -0.082
   67   1HB   LYS   8          2HB       LYS   8   7.117  -1.905  -2.502
   68   2HB   LYS   8          1HB       LYS   8   8.604  -1.795  -1.568
   69   1HG   LYS   8          2HG       LYS   8   7.955  -3.801  -3.312
   70   2HG   LYS   8          1HG       LYS   8   9.193  -3.857  -2.074
   71   1HD   LYS   8          2HD       LYS   8   8.170  -5.705  -1.389
   72   2HD   LYS   8          1HD       LYS   8   6.988  -4.607  -0.670
   73   1HE   LYS   8          2HE       LYS   8   5.564  -5.868  -1.858
   74   2HE   LYS   8          1HE       LYS   8   5.988  -4.729  -3.134
   75   1HZ   LYS   8          1HZ       LYS   8   6.591  -7.545  -2.900
   76   2HZ   LYS   8          2HZ       LYS   8   7.904  -6.595  -3.386
   77   3HZ   LYS   8          3HZ       LYS   8   6.470  -6.575  -4.282
   78    H    ARG   9           H        ARG   9   5.860  -4.379   0.610
   79    HA   ARG   9           HA       ARG   9   3.252  -3.966  -0.681
   80   1HB   ARG   9          2HB       ARG   9   3.630  -6.103  -1.361
   81   2HB   ARG   9          1HB       ARG   9   4.891  -6.353  -0.167
   82   1HG   ARG   9          2HG       ARG   9   2.356  -6.268   1.149
   83   2HG   ARG   9          1HG       ARG   9   2.290  -7.412  -0.193
   84   1HD   ARG   9          2HD       ARG   9   4.762  -7.627   1.311
   85   2HD   ARG   9          1HD       ARG   9   3.344  -7.874   2.329
   86    HE   ARG   9           HE       ARG   9   2.790  -9.451   0.246
   87   1HH1  ARG   9          1HH1      ARG   9   5.694  -9.084   2.137
   88   2HH1  ARG   9          2HH1      ARG   9   6.199 -10.726   1.915
   89   1HH2  ARG   9          1HH2      ARG   9   3.448 -11.613  -0.049
   90   2HH2  ARG   9          2HH2      ARG   9   4.924 -12.162   0.673
   91    H    ASN  10           H        ASN  10   5.072  -4.068   2.147
   92    HA   ASN  10           HA       ASN  10   2.799  -4.328   3.953
   93   1HB   ASN  10          2HB       ASN  10   4.708  -5.636   4.554
   94   2HB   ASN  10          1HB       ASN  10   5.790  -4.255   4.348
   95   1HD2  ASN  10          1HD2      ASN  10   6.569  -4.571   6.454
   96   2HD2  ASN  10          2HD2      ASN  10   5.654  -4.094   7.840
   97    H    ARG  11           H        ARG  11   5.635  -2.380   4.587
   98    HA   ARG  11           HA       ARG  11   5.896  -0.245   5.289
   99   1HB   ARG  11          2HB       ARG  11   5.489   0.293   2.974
  100   2HB   ARG  11          1HB       ARG  11   3.756   0.218   3.227
  101   1HG   ARG  11          2HG       ARG  11   4.934   2.517   3.094
  102   2HG   ARG  11          1HG       ARG  11   3.682   2.253   4.306
  103   1HD   ARG  11          2HD       ARG  11   5.461   3.371   5.399
  104   2HD   ARG  11          1HD       ARG  11   5.530   1.690   5.924
  105    HE   ARG  11           HE       ARG  11   7.343   1.436   4.220
  106   1HH1  ARG  11          1HH1      ARG  11   6.619   4.549   5.612
  107   2HH1  ARG  11          2HH1      ARG  11   8.226   5.161   5.399
  108   1HH2  ARG  11          1HH2      ARG  11   9.460   2.231   3.941
  109   2HH2  ARG  11          2HH2      ARG  11   9.840   3.844   4.448
  110   1H    LYS  12          1HT       LYS  12  15.251   5.321  -0.966
  111   2H    LYS  12          2HT       LYS  12  16.303   4.004  -1.108
  112   3H    LYS  12          3HT       LYS  12  16.588   5.190   0.063
  113    HA   LYS  12           HA       LYS  12  14.706   2.989   0.052
  114   1HB   LYS  12          2HB       LYS  12  16.760   3.001   1.412
  115   2HB   LYS  12          1HB       LYS  12  16.156   4.414   2.272
  116   1HG   LYS  12          2HG       LYS  12  14.073   2.609   2.455
  117   2HG   LYS  12          1HG       LYS  12  15.523   1.609   2.635
  118   1HD   LYS  12          2HD       LYS  12  15.879   2.379   4.685
  119   2HD   LYS  12          1HD       LYS  12  15.761   4.053   4.150
  120   1HE   LYS  12          2HE       LYS  12  13.180   2.721   4.237
  121   2HE   LYS  12          1HE       LYS  12  13.988   2.721   5.804
  122   1HZ   LYS  12          1HZ       LYS  12  12.820   4.699   5.801
  123   2HZ   LYS  12          2HZ       LYS  12  13.127   5.017   4.169
  124   3HZ   LYS  12          3HZ       LYS  12  14.361   5.199   5.312
  125    H    LEU  13           H        LEU  13  14.366   6.297   0.055
  126    HA   LEU  13           HA       LEU  13  12.095   6.152   1.870
  127   1HB   LEU  13          2HB       LEU  13  13.138   8.582   0.416
  128   2HB   LEU  13          1HB       LEU  13  12.023   8.554   1.771
  129    HG   LEU  13           HG       LEU  13  13.924   9.101   2.902
  130   1HD1  LEU  13          1HD1      LEU  13  14.085   6.084   2.712
  131   2HD1  LEU  13          2HD1      LEU  13  13.312   7.066   3.966
  132   3HD1  LEU  13          3HD1      LEU  13  15.068   7.056   3.818
  133   1HD2  LEU  13          1HD2      LEU  13  15.683   7.386   1.178
  134   2HD2  LEU  13          2HD2      LEU  13  16.127   8.755   2.198
  135   3HD2  LEU  13          3HD2      LEU  13  15.223   9.022   0.707
  136    H    LEU  14           H        LEU  14  12.492   5.052  -0.939
  137    HA   LEU  14           HA       LEU  14  10.482   6.323  -2.544
  138   1HB   LEU  14          2HB       LEU  14  10.733   4.225  -3.931
  139   2HB   LEU  14          1HB       LEU  14  12.191   5.177  -3.728
  140    HG   LEU  14           HG       LEU  14  11.974   3.122  -1.675
  141   1HD1  LEU  14          1HD1      LEU  14  12.694   1.589  -3.911
  142   2HD1  LEU  14          2HD1      LEU  14  11.166   2.367  -4.321
  143   3HD1  LEU  14          3HD1      LEU  14  11.291   1.382  -2.864
  144   1HD2  LEU  14          1HD2      LEU  14  14.119   2.973  -3.656
  145   2HD2  LEU  14          2HD2      LEU  14  14.200   3.146  -1.902
  146   3HD2  LEU  14          3HD2      LEU  14  13.939   4.564  -2.917
  147    H    ILE  15           H        ILE  15  10.586   4.211   0.051
  148    HA   ILE  15           HA       ILE  15   8.188   2.731  -0.480
  149    HB   ILE  15           HB       ILE  15   9.550   3.052   2.187
  150   1HG1  ILE  15          2HG1      ILE  15  11.213   2.500   0.440
  151   2HG1  ILE  15          1HG1      ILE  15  11.007   1.213   1.624
  152   1HG2  ILE  15          1HG2      ILE  15   8.390   0.491   1.250
  153   2HG2  ILE  15          2HG2      ILE  15   7.257   1.788   1.641
  154   3HG2  ILE  15          3HG2      ILE  15   8.392   1.212   2.862
  155   1HD1  ILE  15          1HD1      ILE  15  10.362  -0.234   0.081
  156   2HD1  ILE  15          2HD1      ILE  15  10.971   0.930  -1.097
  157   3HD1  ILE  15          3HD1      ILE  15   9.258   0.918  -0.672
  158    H    THR  16           H        THR  16   8.315   5.808  -0.249
  159    HA   THR  16           HA       THR  16   6.405   6.248   1.914
  160    HB   THR  16           HB       THR  16   7.692   8.238   0.034
  161    HG1  THR  16           1HG      THR  16   8.454   7.182   2.510
  162   1HG2  THR  16          1HG2      THR  16   5.568   8.560   1.895
  163   2HG2  THR  16          2HG2      THR  16   6.363   9.774   0.894
  164   3HG2  THR  16          3HG2      THR  16   6.993   9.404   2.498
  165    H    ILE  17           H        ILE  17   6.675   6.710  -1.603
  166    HA   ILE  17           HA       ILE  17   3.735   6.822  -1.710
  167    HB   ILE  17           HB       ILE  17   5.103   8.889  -2.456
  168   1HG1  ILE  17          2HG1      ILE  17   2.627   8.301  -2.860
  169   2HG1  ILE  17          1HG1      ILE  17   3.357   9.532  -3.884
  170   1HG2  ILE  17          1HG2      ILE  17   5.601   6.983  -4.711
  171   2HG2  ILE  17          2HG2      ILE  17   6.752   8.010  -3.851
  172   3HG2  ILE  17          3HG2      ILE  17   5.588   8.729  -4.966
  173   1HD1  ILE  17          1HD1      ILE  17   3.203   6.665  -4.753
  174   2HD1  ILE  17          2HD1      ILE  17   3.417   8.116  -5.735
  175   3HD1  ILE  17          3HD1      ILE  17   1.857   7.784  -4.982
  176    H    HIS  18           H        HIS  18   6.660   5.550  -3.249
  177    HA   HIS  18           HA       HIS  18   5.429   4.201  -5.368
  178   1HB   HIS  18          2HB       HIS  18   7.577   3.813  -5.818
  179   2HB   HIS  18          1HB       HIS  18   8.048   4.286  -4.193
  180    HD1  HIS  18           1HD      HIS  18   8.009   2.244  -2.393
  181    HD2  HIS  18           2HD      HIS  18   7.928   1.199  -6.414
  182    HE1  HIS  18           1HE      HIS  18   8.688  -0.173  -2.473
  183    HE2  HIS  18           2HE      HIS  18   8.706  -0.763  -4.921
  184    H    ASP  19           H        ASP  19   5.477   3.570  -2.003
  185    HA   ASP  19           HA       ASP  19   4.768   0.794  -2.199
  186   1HB   ASP  19          2HB       ASP  19   5.889   2.022  -0.240
  187   2HB   ASP  19          1HB       ASP  19   4.265   2.544   0.196
  188    H    ARG  20           H        ARG  20   3.121   3.870  -1.965
  189    HA   ARG  20           HA       ARG  20   0.533   2.935  -1.409
  190   1HB   ARG  20          2HB       ARG  20   1.756   5.414  -2.365
  191   2HB   ARG  20          1HB       ARG  20   0.119   5.161  -2.954
  192   1HG   ARG  20          2HG       ARG  20  -0.219   6.355  -1.008
  193   2HG   ARG  20          1HG       ARG  20  -0.448   4.686  -0.479
  194   1HD   ARG  20          2HD       ARG  20   2.109   4.807   0.037
  195   2HD   ARG  20          1HD       ARG  20   1.830   6.548   0.037
  196    HE   ARG  20           HE       ARG  20   0.127   6.101   1.796
  197   1HH1  ARG  20          1HH1      ARG  20   2.716   3.835   1.239
  198   2HH1  ARG  20          2HH1      ARG  20   2.679   3.201   2.850
  199   1HH2  ARG  20          1HH2      ARG  20   0.073   5.271   3.918
  200   2HH2  ARG  20          2HH2      ARG  20   1.177   4.016   4.372
  201    H    LYS  21           H        LYS  21   2.496   2.904  -4.171
  202    HA   LYS  21           HA       LYS  21   0.339   2.308  -6.030
  203   1HB   LYS  21          2HB       LYS  21   1.800   2.915  -7.666
  204   2HB   LYS  21          1HB       LYS  21   2.708   3.619  -6.336
  205   1HG   LYS  21          2HG       LYS  21   4.195   1.831  -6.227
  206   2HG   LYS  21          1HG       LYS  21   3.153   0.807  -7.227
  207   1HD   LYS  21          2HD       LYS  21   3.978   3.313  -8.510
  208   2HD   LYS  21          1HD       LYS  21   5.308   2.212  -8.145
  209   1HE   LYS  21          2HE       LYS  21   4.781   0.999  -9.925
  210   2HE   LYS  21          1HE       LYS  21   3.199   0.665  -9.220
  211   1HZ   LYS  21          1HZ       LYS  21   3.490   3.262 -10.483
  212   2HZ   LYS  21          2HZ       LYS  21   2.200   2.168 -10.538
  213   3HZ   LYS  21          3HZ       LYS  21   3.549   1.936 -11.533
  214    H    GLU  22           H        GLU  22   3.034   0.829  -4.412
  215    HA   GLU  22           HA       GLU  22   2.725  -1.725  -5.651
  216   1HB   GLU  22          2HB       GLU  22   4.322  -0.705  -3.300
  217   2HB   GLU  22          1HB       GLU  22   4.438  -2.337  -3.932
  218   1HG   GLU  22          2HG       GLU  22   4.842  -0.004  -5.742
  219   2HG   GLU  22          1HG       GLU  22   6.142  -0.518  -4.658
  220    H    PHE  23           H        PHE  23   0.782  -0.121  -3.742
  221    HA   PHE  23           HA       PHE  23  -0.035  -2.446  -2.134
  222   1HB   PHE  23          2HB       PHE  23   0.792  -0.618  -0.733
  223   2HB   PHE  23          1HB       PHE  23  -0.315   0.500  -1.509
  224    HD1  PHE  23           1HD      PHE  23  -1.868   1.185   0.022
  225    HD2  PHE  23           2HD      PHE  23  -0.797  -2.931  -0.119
  226    HE1  PHE  23           1HE      PHE  23  -3.577   0.687   1.717
  227    HE2  PHE  23           2HE      PHE  23  -2.507  -3.437   1.577
  228    HZ   PHE  23           HZ       PHE  23  -3.899  -1.627   2.499
  229    H    ALA  24           H        ALA  24  -0.835  -0.280  -4.613
  230    HA   ALA  24           HA       ALA  24  -3.702  -0.441  -4.268
  231   1HB   ALA  24          1HB       ALA  24  -3.087   1.578  -5.231
  232   2HB   ALA  24          2HB       ALA  24  -3.624   0.635  -6.622
  233   3HB   ALA  24          3HB       ALA  24  -1.901   0.826  -6.299
  234    H    LYS  25           H        LYS  25  -3.004  -2.851  -4.172
  235    HA   LYS  25           HA       LYS  25  -2.974  -4.233  -6.707
  236   1HB   LYS  25          2HB       LYS  25  -3.354  -6.201  -5.013
  237   2HB   LYS  25          1HB       LYS  25  -1.797  -5.381  -5.041
  238   1HG   LYS  25          2HG       LYS  25  -3.382  -3.915  -3.240
  239   2HG   LYS  25          1HG       LYS  25  -3.689  -5.625  -2.886
  240   1HD   LYS  25          2HD       LYS  25  -1.054  -4.167  -2.888
  241   2HD   LYS  25          1HD       LYS  25  -1.863  -4.945  -1.530
  242   1HE   LYS  25          2HE       LYS  25  -0.677  -6.326  -3.938
  243   2HE   LYS  25          1HE       LYS  25  -0.007  -6.308  -2.306
  244   1HZ   LYS  25          1HZ       LYS  25  -1.123  -8.339  -2.502
  245   2HZ   LYS  25          2HZ       LYS  25  -2.468  -7.644  -3.254
  246   3HZ   LYS  25          3HZ       LYS  25  -2.181  -7.364  -1.611
  247    H    PHE  26           H        PHE  26  -5.041  -3.883  -3.928
  248    HA   PHE  26           HA       PHE  26  -7.441  -4.451  -5.512
  249   1HB   PHE  26          2HB       PHE  26  -8.178  -5.834  -3.876
  250   2HB   PHE  26          1HB       PHE  26  -6.478  -5.936  -3.468
  251    HD1  PHE  26           1HD      PHE  26  -9.730  -5.003  -2.315
  252    HD2  PHE  26           2HD      PHE  26  -5.563  -4.398  -1.696
  253    HE1  PHE  26           1HE      PHE  26 -10.192  -4.146  -0.055
  254    HE2  PHE  26           2HE      PHE  26  -6.017  -3.539   0.564
  255    HZ   PHE  26           HZ       PHE  26  -8.335  -3.414   1.387
  256    H    GLU  27           H        GLU  27  -5.657  -2.432  -3.503
  257    HA   GLU  27           HA       GLU  27  -7.488  -0.847  -2.202
  258   1HB   GLU  27          2HB       GLU  27  -4.703  -0.666  -3.108
  259   2HB   GLU  27          1HB       GLU  27  -5.477   0.881  -2.866
  260   1HG   GLU  27          2HG       GLU  27  -5.114  -1.327  -0.877
  261   2HG   GLU  27          1HG       GLU  27  -4.379   0.280  -0.849
  262    H    GLU  28           H        GLU  28  -6.706  -1.037  -5.560
  263    HA   GLU  28           HA       GLU  28  -7.646   1.506  -6.383
  264   1HB   GLU  28          2HB       GLU  28  -7.904   0.347  -8.629
  265   2HB   GLU  28          1HB       GLU  28  -6.293   0.300  -7.925
  266   1HG   GLU  28          2HG       GLU  28  -6.312  -1.932  -7.715
  267   2HG   GLU  28          1HG       GLU  28  -8.000  -1.971  -7.216
  268    H    GLU  29           H        GLU  29  -9.143  -1.640  -5.920
  269    HA   GLU  29           HA       GLU  29 -11.725  -0.810  -6.864
  270   1HB   GLU  29          2HB       GLU  29 -12.028  -3.026  -6.967
  271   2HB   GLU  29          1HB       GLU  29 -10.452  -3.267  -6.227
  272   1HG   GLU  29          2HG       GLU  29 -11.676  -2.932  -3.999
  273   2HG   GLU  29          1HG       GLU  29 -13.148  -3.202  -4.929
  274    H    ARG  30           H        ARG  30 -10.111  -1.171  -3.760
  275    HA   ARG  30           HA       ARG  30 -12.379  -0.716  -2.121
  276   1HB   ARG  30          2HB       ARG  30  -9.752  -1.432  -1.687
  277   2HB   ARG  30          1HB       ARG  30  -9.811   0.200  -1.035
  278   1HG   ARG  30          2HG       ARG  30 -11.766  -1.951  -0.268
  279   2HG   ARG  30          1HG       ARG  30 -10.263  -1.645   0.602
  280   1HD   ARG  30          2HD       ARG  30 -12.339   0.477   0.110
  281   2HD   ARG  30          1HD       ARG  30 -12.332  -0.546   1.545
  282    HE   ARG  30           HE       ARG  30  -9.879   0.431   1.658
  283   1HH1  ARG  30          1HH1      ARG  30 -12.873   2.055   0.913
  284   2HH1  ARG  30          2HH1      ARG  30 -12.357   3.577   1.558
  285   1HH2  ARG  30          1HH2      ARG  30  -9.193   2.435   2.510
  286   2HH2  ARG  30          2HH2      ARG  30 -10.267   3.794   2.465
  287    H    ALA  31           H        ALA  31 -10.387   1.301  -4.017
  288    HA   ALA  31           HA       ALA  31 -11.432   3.719  -2.716
  289   1HB   ALA  31          1HB       ALA  31  -9.176   3.665  -4.700
  290   2HB   ALA  31          2HB       ALA  31  -8.907   3.358  -2.983
  291   3HB   ALA  31          3HB       ALA  31  -9.571   4.907  -3.511
  292    H    ARG  32           H        ARG  32 -12.430   1.736  -4.905
  293    HA   ARG  32           HA       ARG  32 -13.097   3.732  -6.963
  294   1HB   ARG  32          2HB       ARG  32 -12.125   1.172  -7.259
  295   2HB   ARG  32          1HB       ARG  32 -13.855   0.946  -7.464
  296   1HG   ARG  32          2HG       ARG  32 -12.617   1.327  -9.582
  297   2HG   ARG  32          1HG       ARG  32 -13.927   2.471  -9.290
  298   1HD   ARG  32          2HD       ARG  32 -11.993   3.896  -8.207
  299   2HD   ARG  32          1HD       ARG  32 -10.978   2.902  -9.253
  300    HE   ARG  32           HE       ARG  32 -13.097   4.731 -10.163
  301   1HH1  ARG  32          1HH1      ARG  32 -10.246   2.824 -10.779
  302   2HH1  ARG  32          2HH1      ARG  32 -10.007   3.463 -12.371
  303   1HH2  ARG  32          1HH2      ARG  32 -12.794   5.574 -12.254
  304   2HH2  ARG  32          2HH2      ARG  32 -11.455   5.030 -13.210
  305    H    ALA  33           H        ALA  33 -14.626   0.891  -5.455
  306    HA   ALA  33           HA       ALA  33 -17.229   1.437  -6.060
  307   1HB   ALA  33          1HB       ALA  33 -15.987  -0.449  -4.574
  308   2HB   ALA  33          2HB       ALA  33 -17.737  -0.260  -4.675
  309   3HB   ALA  33          3HB       ALA  33 -16.851   0.440  -3.321
  310    H    LYS  34           H        LYS  34 -15.222   3.148  -3.820
  311    HA   LYS  34           HA       LYS  34 -17.112   4.277  -2.115
  312   1HB   LYS  34          2HB       LYS  34 -15.501   6.293  -2.144
  313   2HB   LYS  34          1HB       LYS  34 -14.892   4.757  -1.546
  314   1HG   LYS  34          2HG       LYS  34 -13.760   4.362  -3.651
  315   2HG   LYS  34          1HG       LYS  34 -14.468   5.828  -4.329
  316   1HD   LYS  34          2HD       LYS  34 -12.129   6.146  -3.599
  317   2HD   LYS  34          1HD       LYS  34 -13.260   7.198  -2.748
  318   1HE   LYS  34          2HE       LYS  34 -13.177   5.840  -0.794
  319   2HE   LYS  34          1HE       LYS  34 -12.303   4.565  -1.642
  320   1HZ   LYS  34          1HZ       LYS  34 -10.963   7.105  -1.715
  321   2HZ   LYS  34          2HZ       LYS  34 -10.365   5.580  -1.295
  322   3HZ   LYS  34          3HZ       LYS  34 -11.175   6.515  -0.143
  323    H    TRP  35           H        TRP  35 -15.800   5.601  -5.120
  324    HA   TRP  35           HA       TRP  35 -18.059   7.435  -5.323
  325   1HB   TRP  35          2HB       TRP  35 -16.695   8.422  -7.180
  326   2HB   TRP  35          1HB       TRP  35 -15.918   8.488  -5.606
  327    HD1  TRP  35           HD       TRP  35 -15.977   5.653  -8.248
  328    HE1  TRP  35           1HE      TRP  35 -13.570   5.063  -8.801
  329    HE3  TRP  35           3HE      TRP  35 -13.590   9.077  -5.306
  330    HZ2  TRP  35           2HZ      TRP  35 -10.958   5.900  -8.101
  331    HZ3  TRP  35           3HZ      TRP  35 -11.135   9.105  -5.292
  332    HH2  TRP  35           HH       TRP  35  -9.843   7.551  -6.664
  333    H    ASP  36           H        ASP  36 -17.291   4.400  -6.193
  334    HA   ASP  36           HA       ASP  36 -18.758   4.528  -8.747
  335   1HB   ASP  36          2HB       ASP  36 -16.319   3.202  -7.993
  336   2HB   ASP  36          1HB       ASP  36 -17.519   1.993  -8.460