*HEADER    CELL ADHESION                           22-JAN-02   1KUP              
*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 1KUP    0                                                
 ASSI {    8}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 6    and name HA  ))
      2.400     0.700     0.700 peak     8 weight  0.10000E+01 volume  0.74413E-02 ppm1      7.989 ppm2      4.492 CV     1
 OR {    8}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 6    and name HA  ))
 ASSI {   31}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 25   and name HA  ))
      2.500     0.800     0.800 peak    31 weight  0.10000E+01 volume  0.45153E-02 ppm1      8.187 ppm2      4.142 CV     1
 OR {   31}
   (( segid "B   " and resid 27   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  ))
      2.300     0.700     0.700 peak    35 weight  0.10000E+01 volume  0.81277E-02 ppm1      8.066 ppm2      4.221 CV     1
 OR {   35}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 24   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  0.64661E-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  ))
 OR {   39}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 30   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  0.57436E-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 ))
      2.900     1.100     1.100 peak    89 weight  0.10000E+01 volume  0.56352E-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 HG  ))
 ASSI {   91}
   (( segid "B   " and resid 21   and name HN  ))
   (( segid "B   " and resid 20   and name HG1 ))
      3.400     1.400     1.400 peak    91 weight  0.10000E+01 volume  0.20950E-02 ppm1      8.345 ppm2      1.683 CV     1
 OR {   91}
   (( segid "B   " and resid 21   and name HN  ))
   (( segid "B   " and resid 21   and name HD1 ))
 ASSI {   97}
   (( segid "B   " and resid 27   and name HN  ))
   (( segid "B   " and resid 24   and name HB2 ))
      3.600     1.700     1.700 peak    97 weight  0.10000E+01 volume  0.22036E-02 ppm1      8.191 ppm2      1.370 CV     1
 OR {   97}
   (( segid "B   " and resid 27   and name HN  ))
   (( segid "B   " and resid 24   and name HB1 ))
 OR {   97}
   (( segid "B   " and resid 27   and name HN  ))
   (( segid "B   " and resid 25   and name HG1 ))
 ASSI {  103}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 30   and name HB1 ))
      2.500     0.800     0.800 peak   103 weight  0.10000E+01 volume  0.34677E-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 HB1 ))
 ASSI {  104}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 30   and name HB2 ))
      3.200     1.300     1.300 peak   104 weight  0.10000E+01 volume  0.46598E-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 HB2 ))
 ASSI {  131}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 14   and name HD21))
      3.600     1.600     1.600 peak   131 weight  0.10000E+01 volume  0.27815E-02 ppm1      8.385 ppm2      0.927 CV     1
 OR {  131}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 14   and name HD23))
 OR {  131}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 14   and name HD22))
 OR {  131}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 13   and name HD11))
 ASSI {  132}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 14   and name HD11))
      3.700     1.700     1.700 peak   132 weight  0.10000E+01 volume  0.21675E-02 ppm1      8.389 ppm2      0.896 CV     1
 OR {  132}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 14   and name HD13))
 OR {  132}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 14   and name HD12))
 OR {  132}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 13   and name HD11))
 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  0.88862E-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 {  187}
   (  segid "B   " and resid 26   and name HE% )
   (  segid "B   " and resid 26   and name HD% )
      1.500     0.300     0.700 peak   187 weight  0.10000E+01 volume  0.12560E+00 ppm1      7.344 ppm2      7.222 CV     1
 OR {  187}
   (  segid "A   " and resid 7    and name HE% )
   (  segid "A   " and resid 7    and name HD% )
 ASSI {  205}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 17   and name HN  ))
      2.900     1.100     1.100 peak   205 weight  0.10000E+01 volume  0.35763E-02 ppm1      8.274 ppm2      8.082 CV     1
 OR {  205}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 23   and name HN  ))
 ASSI {  212}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 36   and name HN  ))
      2.300     0.600     0.600 peak   212 weight  0.10000E+01 volume  0.69718E-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  0.40458E-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 {  221}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak   221 weight  0.10000E+01 volume  0.41542E-02 ppm1      8.255 ppm2      8.336 CV     1
 OR {  221}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 21   and name HN  ))
 ASSI {  244}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 15   and name HD13))
      3.800     1.800     1.800 peak   244 weight  0.10000E+01 volume  0.12282E-02 ppm1      8.522 ppm2      0.804 CV     1
 OR {  244}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 17   and name HD12))
 OR {  244}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  246}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 23   and name HA  ))
      3.100     1.200     1.200 peak   246 weight  0.10000E+01 volume  0.17339E-02 ppm1      8.191 ppm2      4.554 CV     1
 OR {  246}
   (( segid "B   " and resid 27   and name HN  ))
   (( segid "B   " and resid 26   and name HA  ))
 ASSI {  268}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 11   and name HN  ))
      3.100     1.200     1.200 peak   268 weight  0.10000E+01 volume  0.27454E-02 ppm1      8.381 ppm2      8.267 CV     1
 OR {  268}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 16   and name HN  ))
 ASSI {  373}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 26   and name HB1 ))
      3.800     1.800     1.800 peak   373 weight  0.10000E+01 volume  0.16617E-02 ppm1      2.334 ppm2      3.158 CV     1
 OR {  373}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 26   and name HB1 ))
 ASSI {  383}
   (( segid "A   " and resid 6    and name HB2 ))
   (( segid "A   " and resid 10   and name HB1 ))
      3.600     1.600     1.600 peak   383 weight  0.10000E+01 volume  0.13366E-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 HB1 ))
 ASSI {  396}
   (( segid "B   " and resid 21   and name HD1 ))
   (( segid "B   " and resid 22   and name HG1 ))
      4.200     2.200     1.800 peak   396 weight  0.10000E+01 volume  0.13004E-02 ppm1      1.704 ppm2      2.253 CV     1
 OR {  396}
   (( segid "B   " and resid 20   and name HG1 ))
   (( segid "B   " and resid 22   and name HG1 ))
 ASSI {  403}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 26   and name HB2 ))
      4.200     2.200     1.800 peak   403 weight  0.10000E+01 volume  0.16617E-02 ppm1      2.383 ppm2      3.132 CV     1
 OR {  403}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 26   and name HB1 ))
 OR {  403}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 26   and name HB1 ))
 ASSI {  457}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 16   and name HG22))
      3.000     1.100     1.100 peak   457 weight  0.10000E+01 volume  0.17339E-02 ppm1      8.088 ppm2      1.120 CV     1
 OR {  457}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 16   and name HG23))
 OR {  457}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 16   and name HG21))
 OR {  457}
   (( segid "B   " and resid 17   and name HN  ))
   (  segid "B   " and resid 17   and name HG1%)
 ASSI {    7}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 23   and name HA  ))
      2.100     0.500     0.500 peak     7 weight  0.10000E+01 volume  0.17158E-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 7    and name HA  ))
 OR {    7}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 6    and name HA  ))
 ASSI {   29}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 16   and name HB  ))
      2.300     0.700     0.700 peak    29 weight  0.10000E+01 volume  0.75858E-02 ppm1      8.228 ppm2      4.170 CV     1
 OR {   29}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "A   " and resid 8    and name HA  ))
 OR {   29}
   (( segid "B   " and resid 27   and name HN  ))
   (( segid "B   " and resid 24   and name HA  ))
 OR {   29}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 25   and name HA  ))
 OR {   29}
   (( segid "B   " and resid 27   and name HN  ))
   (( segid "B   " and resid 27   and name HA  ))
 OR {   29}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 22   and name HA  ))
 OR {   29}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 28   and name HA  ))
 OR {   29}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 29   and name HA  ))
 OR {   29}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 27   and name HA  ))
 OR {   29}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 15   and name HA  ))
 OR {   29}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 28   and name HA  ))
 ASSI {   30}
   (( segid "B   " and resid 27   and name HN  ))
   (( segid "B   " and resid 24   and name HA  ))
      2.500     0.800     0.800 peak    30 weight  0.10000E+01 volume  0.70440E-02 ppm1      8.181 ppm2      4.172 CV     1
 OR {   30}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 25   and name HA  ))
 OR {   30}
   (( segid "B   " and resid 27   and name HN  ))
   (( segid "B   " and resid 27   and name HA  ))
 OR {   30}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 28   and name HA  ))
 OR {   30}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 29   and name HA  ))
 OR {   30}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 27   and name HA  ))
 OR {   30}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 28   and name HA  ))
 OR {   30}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 29   and name HA  ))
 ASSI {   36}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 16   and name HB  ))
      2.300     0.700     0.700 peak    36 weight  0.10000E+01 volume  0.83445E-02 ppm1      8.063 ppm2      4.172 CV     1
 OR {   36}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 33   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 34   and name HN  ))
   (( segid "B   " and resid 34   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 23   and name HN  ))
   (( segid "B   " and resid 22   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 30   and name HN  ))
   (( segid "B   " and resid 29   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 34   and name HN  ))
   (( segid "B   " and resid 31   and name HA  ))
 ASSI {   38}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 33   and name HA  ))
      2.000     0.500     0.500 peak    38 weight  0.10000E+01 volume  0.21494E-01 ppm1      8.001 ppm2      4.212 CV     1
 OR {   38}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 8    and name HA  ))
 OR {   38}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 33   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 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 20   and name HA  ))
 OR {   38}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 30   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 35   and name HN  ))
   (( segid "B   " and resid 33   and name HA  ))
 OR {   38}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 31   and name HA  ))
 ASSI {   42}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HA  ))
      2.800     1.000     1.000 peak    42 weight  0.10000E+01 volume  0.31065E-02 ppm1      7.904 ppm2      4.214 CV     1
 OR {   42}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 15   and name HA  ))
 OR {   42}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 31   and name HA  ))
 OR {   42}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 30   and name HA  ))
 OR {   42}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 16   and name HB  ))
 OR {   42}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "A   " and resid 8    and name HA  ))
 ASSI {   48}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HA  ))
      2.600     0.900     0.900 peak    48 weight  0.10000E+01 volume  0.53824E-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  ))
 OR {   48}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "A   " and resid 8    and name HA  ))
 ASSI {   56}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 26   and name HB2 ))
      2.700     0.900     0.900 peak    56 weight  0.10000E+01 volume  0.35402E-02 ppm1      8.026 ppm2      3.085 CV     1
 OR {   56}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
 OR {   56}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
 OR {   56}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 26   and name HB2 ))
 OR {   56}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 26   and name HB2 ))
 OR {   56}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 30   and name HD2 ))
 ASSI {   58}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 26   and name HB2 ))
      2.700     0.900     0.900 peak    58 weight  0.10000E+01 volume  0.39013E-02 ppm1      8.023 ppm2      3.155 CV     1
 OR {   58}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 7    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 35   and name HN  ))
   (( segid "B   " and resid 32   and name HD2 ))
 OR {   58}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 26   and name HB2 ))
 OR {   58}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 32   and name HD2 ))
 OR {   58}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 26   and name HB2 ))
 OR {   58}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 26   and name HB1 ))
 OR {   58}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 26   and name HB1 ))
 OR {   58}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 9    and name HD1 ))
 OR {   58}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 26   and name HB1 ))
 ASSI {   76}
   (( segid "B   " and resid 27   and name HN  ))
   (( segid "B   " and resid 27   and name HB1 ))
      2.900     1.100     1.100 peak    76 weight  0.10000E+01 volume  0.66467E-02 ppm1      8.202 ppm2      1.900 CV     1
 OR {   76}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {   77}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.300     1.300     1.300 peak    77 weight  0.10000E+01 volume  0.21314E-02 ppm1      8.203 ppm2      1.870 CV     1
 OR {   77}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
 OR {   77}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "A   " and resid 11   and name HB1 ))
 ASSI {   83}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 17   and name HB  ))
      2.900     1.100     1.100 peak    83 weight  0.10000E+01 volume  0.22036E-02 ppm1      8.077 ppm2      1.861 CV     1
 OR {   83}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 12   and name HB2 ))
 ASSI {   85}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 17   and name HB  ))
      2.800     1.000     1.000 peak    85 weight  0.10000E+01 volume  0.24925E-02 ppm1      8.067 ppm2      1.837 CV     1
 OR {   85}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
 ASSI {  105}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 34   and name HD2 ))
      3.500     1.500     1.500 peak   105 weight  0.10000E+01 volume  0.20950E-02 ppm1      8.064 ppm2      1.662 CV     1
 OR {  105}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 25   and name HD2 ))
 OR {  105}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 34   and name HD2 ))
 OR {  105}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 25   and name HD2 ))
 ASSI {  119}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.000     1.100     1.100 peak   119 weight  0.10000E+01 volume  0.20950E-02 ppm1      7.987 ppm2      1.815 CV     1
 OR {  119}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 32   and name HB1 ))
 OR {  119}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HB1 ))
 OR {  119}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
 OR {  119}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 8    and name HB2 ))
 ASSI {  142}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HG2 ))
      3.000     1.100     1.100 peak   142 weight  0.10000E+01 volume  0.24925E-02 ppm1      7.247 ppm2      1.613 CV     1
 OR {  142}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 11   and name HG2 ))
 OR {  142}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 25   and name HD2 ))
 OR {  142}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 13   and name HB2 ))
 ASSI {  152}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 22   and name HB2 ))
      3.000     1.100     1.100 peak   152 weight  0.10000E+01 volume  0.21314E-02 ppm1      7.244 ppm2      2.028 CV     1
 OR {  152}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 27   and name HB2 ))
 OR {  152}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 22   and name HB2 ))
 ASSI {  166}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HD2 ))
      2.200     0.600     0.600 peak   166 weight  0.10000E+01 volume  0.80555E-02 ppm1      7.243 ppm2      3.170 CV     1
 OR {  166}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 7    and name HB1 ))
 OR {  166}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 26   and name HB1 ))
 OR {  166}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 23   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 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HD2 ))
      2.500     0.800     0.800 peak   169 weight  0.10000E+01 volume  0.43709E-02 ppm1      7.206 ppm2      3.185 CV     1
 OR {  169}
   (( segid "A   " and resid 11   and name HH21))
   (( segid "A   " and resid 11   and name HE  ))
 OR {  169}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 26   and name HB1 ))
 OR {  169}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 23   and name HB1 ))
 ASSI {  171}
   (( segid "A   " and resid 11   and name HH21))
   (( segid "A   " and resid 11   and name HE  ))
      2.700     0.900     0.900 peak   171 weight  0.10000E+01 volume  0.26009E-02 ppm1      7.187 ppm2      3.158 CV     1
 OR {  171}
   (( segid "B   " and resid 20   and name HH21))
   (( segid "B   " and resid 20   and name HD2 ))
 ASSI {  174}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 7    and name HA  ))
      3.200     1.300     1.300 peak   174 weight  0.10000E+01 volume  0.31427E-02 ppm1      7.344 ppm2      4.540 CV     1
 OR {  174}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 23   and name HA  ))
 OR {  174}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 26   and name HA  ))
 ASSI {  176}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 31   and name HA  ))
      3.200     1.300     1.300 peak   176 weight  0.10000E+01 volume  0.21675E-02 ppm1      7.341 ppm2      4.177 CV     1
 OR {  176}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HA  ))
 OR {  176}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 25   and name HA  ))
 OR {  176}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 24   and name HA  ))
 OR {  176}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 16   and name HB  ))
 OR {  176}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 8    and name HA  ))
 OR {  176}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 25   and name HA  ))
 ASSI {  177}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HA  ))
      2.900     1.000     1.000 peak   177 weight  0.10000E+01 volume  0.40458E-02 ppm1      7.249 ppm2      4.215 CV     1
 OR {  177}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HA  ))
 OR {  177}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 22   and name HA  ))
 OR {  177}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 31   and name HA  ))
 OR {  177}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 3    and name HA  ))
 OR {  177}
   (( segid "A   " and resid 2    and name HD1 ))
   (( segid "A   " and resid 1    and name HA  ))
 OR {  177}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 16   and name HB  ))
 OR {  177}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 16   and name HB  ))
 OR {  177}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 24   and name HA  ))
 OR {  177}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 8    and name HA  ))
 ASSI {  178}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 7    and name HA  ))
      2.400     0.700     0.700 peak   178 weight  0.10000E+01 volume  0.73691E-02 ppm1      7.243 ppm2      4.540 CV     1
 OR {  178}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 23   and name HA  ))
 OR {  178}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 26   and name HA  ))
 ASSI {  179}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HA  ))
      3.200     1.200     1.200 peak   179 weight  0.10000E+01 volume  0.26731E-02 ppm1      7.243 ppm2      4.167 CV     1
 OR {  179}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HA  ))
 OR {  179}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 22   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 26   and name HD% )
   (( segid "B   " and resid 31   and name HA  ))
 OR {  179}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 3    and name HA  ))
 OR {  179}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 16   and name HB  ))
 OR {  179}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 16   and name HB  ))
 OR {  179}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 8    and name HA  ))
 ASSI {  180}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HA  ))
      3.100     1.200     1.200 peak   180 weight  0.10000E+01 volume  0.25648E-02 ppm1      7.224 ppm2      4.212 CV     1
 OR {  180}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 22   and name HA  ))
 OR {  180}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 31   and name HA  ))
 OR {  180}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 3    and name HA  ))
 OR {  180}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 16   and name HB  ))
 OR {  180}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 16   and name HB  ))
 OR {  180}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 24   and name HA  ))
 OR {  180}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 8    and name HA  ))
 ASSI {  181}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 18   and name HA  ))
      3.100     1.200     1.200 peak   181 weight  0.10000E+01 volume  0.36485E-02 ppm1      7.254 ppm2      4.693 CV     1
 OR {  181}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 35   and name HA  ))
 ASSI {  190}
   (  segid "B   " and resid 26   and name HE% )
   (  segid "B   " and resid 26   and name HD% )
      1.700     0.400     0.500 peak   190 weight  0.10000E+01 volume  0.61302E-01 ppm1      7.344 ppm2      7.244 CV     1
 OR {  190}
   (  segid "B   " and resid 23   and name HE% )
   (  segid "B   " and resid 23   and name HD% )
 OR {  190}
   (  segid "A   " and resid 7    and name HE% )
   (  segid "A   " and resid 7    and name HD% )
 OR {  190}
   (  segid "A   " and resid 6    and name HE% )
   (( segid "A   " and resid 6    and name HZ  ))
 ASSI {  206}
   (( segid "B   " and resid 27   and name HN  ))
   (( segid "B   " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak   206 weight  0.10000E+01 volume  0.29982E-02 ppm1      8.196 ppm2      8.056 CV     1
 OR {  206}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 30   and name HN  ))
 OR {  206}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 26   and name HN  ))
 OR {  206}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 30   and name HN  ))
 ASSI {  216}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 29   and name HN  ))
      2.600     0.900     0.900 peak   216 weight  0.10000E+01 volume  0.35763E-02 ppm1      8.019 ppm2      8.188 CV     1
 OR {  216}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 25   and name HN  ))
 OR {  216}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 28   and name HN  ))
 OR {  216}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 29   and name HN  ))
 ASSI {  218}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 29   and name HN  ))
      2.600     0.900     0.900 peak   218 weight  0.10000E+01 volume  0.32871E-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  ))
 OR {  218}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 29   and name HN  ))
 ASSI {  264}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 32   and name HN  ))
      3.400     1.400     1.400 peak   264 weight  0.10000E+01 volume  0.14088E-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  ))
      3.600     1.600     1.600 peak   265 weight  0.10000E+01 volume  0.11921E-02 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 {  286}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 17   and name HG21))
      3.500     1.500     1.500 peak   286 weight  0.10000E+01 volume  0.15894E-02 ppm1      7.248 ppm2      0.829 CV     1
 OR {  286}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 17   and name HD11))
 OR {  286}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 17   and name HG21))
 OR {  286}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  290}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 17   and name HG21))
      3.300     1.300     1.300 peak   290 weight  0.10000E+01 volume  0.18784E-02 ppm1      7.245 ppm2      0.810 CV     1
 OR {  290}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  291}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 13   and name HD11))
      3.500     1.500     1.500 peak   291 weight  0.10000E+01 volume  0.10476E-02 ppm1      7.236 ppm2      0.892 CV     1
 OR {  291}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 17   and name HD11))
 ASSI {  293}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 17   and name HD11))
      3.700     3.700     2.300 peak   293 weight  0.10000E+01 volume  0.13366E-02 ppm1      7.207 ppm2      0.890 CV     1
 OR {  293}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  300}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 7    and name HB2 ))
      4.000     2.000     2.000 peak   300 weight  0.10000E+01 volume  0.10476E-02 ppm1      7.165 ppm2      2.984 CV     1
 OR {  300}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 12   and name HE2 ))
 ASSI {  302}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HA  ))
      3.300     1.400     1.400 peak   302 weight  0.10000E+01 volume  0.15172E-02 ppm1      7.295 ppm2      4.216 CV     1
 OR {  302}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HA  ))
 OR {  302}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 31   and name HA  ))
 OR {  302}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 16   and name HB  ))
 OR {  302}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 24   and name HA  ))
 ASSI {  303}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 17   and name HA  ))
      3.600     1.600     1.600 peak   303 weight  0.10000E+01 volume  0.90307E-03 ppm1      7.292 ppm2      4.146 CV     1
 OR {  303}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HA  ))
 OR {  303}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 27   and name HA  ))
 OR {  303}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 3    and name HA  ))
 OR {  303}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 16   and name HB  ))
 ASSI {  309}
   (( segid "A   " and resid 3    and name HG2 ))
   (  segid "A   " and resid 7    and name HE% )
      4.200     2.200     1.800 peak   309 weight  0.10000E+01 volume  0.79472E-03 ppm1      1.122 ppm2      7.351 CV     1
 OR {  309}
   (  segid "B   " and resid 17   and name HG1%)
   (  segid "A   " and resid 7    and name HE% )
 OR {  309}
   (( segid "B   " and resid 16   and name HG21))
   (  segid "A   " and resid 7    and name HE% )
 OR {  309}
   (( segid "A   " and resid 3    and name HG2 ))
   (( segid "A   " and resid 7    and name HZ  ))
 ASSI {  311}
   (  segid "B   " and resid 17   and name HG1%)
   (( segid "B   " and resid 17   and name HG21))
      3.400     1.400     1.400 peak   311 weight  0.10000E+01 volume  0.20589E-02 ppm1      1.125 ppm2      0.787 CV     1
 OR {  311}
   (( segid "B   " and resid 16   and name HG21))
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  314}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 13   and name HA  ))
      3.700     1.700     1.700 peak   314 weight  0.10000E+01 volume  0.13727E-02 ppm1      7.236 ppm2      4.467 CV     1
 OR {  314}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 6    and name HA  ))
 ASSI {  316}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 16   and name HA  ))
      4.200     2.200     1.800 peak   316 weight  0.10000E+01 volume  0.10837E-02 ppm1      7.131 ppm2      4.427 CV     1
 OR {  316}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 13   and name HA  ))
 ASSI {  318}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 9    and name HD1 ))
      4.600     2.700     1.400 peak   318 weight  0.10000E+01 volume  0.83083E-03 ppm1      7.103 ppm2      3.119 CV     1
 OR {  318}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 7    and name HB1 ))
 ASSI {  324}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 19   and name HB2 ))
      3.800     1.800     1.800 peak   324 weight  0.10000E+01 volume  0.97533E-03 ppm1      7.316 ppm2      2.779 CV     1
 OR {  324}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 10   and name HB1 ))
 ASSI {  343}
   (( segid "B   " and resid 14   and name HD11))
   (( segid "B   " and resid 19   and name HA  ))
      3.100     3.100     2.900 peak   343 weight  0.10000E+01 volume  0.93921E-03 ppm1      0.957 ppm2      4.603 CV     1
 OR {  343}
   (  segid "A   " and resid 4    and name HG2%)
   (( segid "A   " and resid 2    and name HA  ))
 ASSI {  344}
   (( segid "B   " and resid 14   and name HD11))
   (( segid "B   " and resid 18   and name HB1 ))
      3.300     1.300     1.300 peak   344 weight  0.10000E+01 volume  0.14811E-02 ppm1      0.963 ppm2      3.269 CV     1
 OR {  344}
   (( segid "B   " and resid 13   and name HD21))
   (( segid "B   " and resid 18   and name HB1 ))
 ASSI {  350}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HG2 ))
      3.100     1.200     1.200 peak   350 weight  0.10000E+01 volume  0.16978E-02 ppm1      7.219 ppm2      1.669 CV     1
 OR {  350}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 3    and name HB2 ))
 OR {  350}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 12   and name HD2 ))
 OR {  350}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 25   and name HD2 ))
 ASSI {  352}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 11   and name HG2 ))
      3.100     1.200     1.200 peak   352 weight  0.10000E+01 volume  0.14811E-02 ppm1      7.347 ppm2      1.681 CV     1
 OR {  352}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 3    and name HB2 ))
 OR {  352}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "A   " and resid 11   and name HG2 ))
 OR {  352}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 20   and name HG1 ))
 ASSI {  355}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
      4.000     2.000     2.000 peak   355 weight  0.10000E+01 volume  0.90307E-03 ppm1      7.837 ppm2      3.163 CV     1
 OR {  355}
   (( segid "A   " and resid 2    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
 ASSI {  360}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 19   and name HB2 ))
      3.700     1.700     1.700 peak   360 weight  0.10000E+01 volume  0.93921E-03 ppm1      3.189 ppm2      2.827 CV     1
 OR {  360}
   (( segid "A   " and resid 11   and name HE  ))
   (( segid "A   " and resid 10   and name HB2 ))
 OR {  360}
   (( segid "A   " and resid 9    and name HD2 ))
   (( segid "A   " and resid 10   and name HB2 ))
 OR {  360}
   (( segid "A   " and resid 11   and name HD2 ))
   (( segid "A   " and resid 10   and name HB2 ))
 ASSI {  364}
   (( segid "B   " and resid 17   and name HG21))
   (( segid "B   " and resid 18   and name HB2 ))
      3.900     1.900     1.900 peak   364 weight  0.10000E+01 volume  0.13004E-02 ppm1      0.839 ppm2      3.149 CV     1
 OR {  364}
   (( segid "B   " and resid 17   and name HD11))
   (( segid "B   " and resid 20   and name HD2 ))
 OR {  364}
   (( segid "B   " and resid 14   and name HD21))
   (( segid "B   " and resid 18   and name HB2 ))
 ASSI {  368}
   (( segid "B   " and resid 25   and name HG1 ))
   (( segid "B   " and resid 23   and name HB2 ))
      3.700     1.700     1.700 peak   368 weight  0.10000E+01 volume  0.15894E-02 ppm1      1.380 ppm2      3.047 CV     1
 OR {  368}
   (( segid "A   " and resid 8    and name HG2 ))
   (( segid "A   " and resid 6    and name HB2 ))
 ASSI {  374}
   (( segid "B   " and resid 29   and name HB2 ))
   (( segid "B   " and resid 26   and name HB1 ))
      3.500     1.500     1.500 peak   374 weight  0.10000E+01 volume  0.18423E-02 ppm1      2.064 ppm2      3.167 CV     1
 OR {  374}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 7    and name HB1 ))
 OR {  374}
   (( segid "B   " and resid 27   and name HB2 ))
   (( segid "B   " and resid 23   and name HB1 ))
 OR {  374}
   (( segid "B   " and resid 27   and name HB2 ))
   (( segid "B   " and resid 26   and name HB1 ))
 OR {  374}
   (( segid "A   " and resid 1    and name HE1 ))
   (( segid "A   " and resid 7    and name HB1 ))
 ASSI {  379}
   (( segid "A   " and resid 8    and name HD2 ))
   (( segid "A   " and resid 4    and name HB  ))
      4.100     2.100     1.900 peak   379 weight  0.10000E+01 volume  0.12282E-02 ppm1      1.681 ppm2      2.087 CV     1
 OR {  379}
   (( segid "B   " and resid 12   and name HD2 ))
   (( segid "A   " and resid 4    and name HB  ))
 OR {  379}
   (( segid "A   " and resid 3    and name HB2 ))
   (( segid "A   " and resid 4    and name HB  ))
 ASSI {  395}
   (( segid "B   " and resid 32   and name HB2 ))
   (( segid "B   " and resid 27   and name HG2 ))
      4.400     2.500     1.600 peak   395 weight  0.10000E+01 volume  0.11921E-02 ppm1      1.839 ppm2      2.254 CV     1
 OR {  395}
   (( segid "B   " and resid 21   and name HB1 ))
   (( segid "B   " and resid 22   and name HG1 ))
 ASSI {  398}
   (( segid "B   " and resid 24   and name HB1 ))
   (( segid "B   " and resid 27   and name HB1 ))
      3.900     1.900     1.900 peak   398 weight  0.10000E+01 volume  0.18784E-02 ppm1      1.413 ppm2      1.962 CV     1
 OR {  398}
   (( segid "B   " and resid 24   and name HB1 ))
   (( segid "B   " and resid 20   and name HB2 ))
 OR {  398}
   (( segid "B   " and resid 31   and name HB1 ))
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {  409}
   (( segid "B   " and resid 34   and name HG1 ))
   (( segid "B   " and resid 31   and name HA  ))
      2.100     0.600     0.600 peak   409 weight  0.10000E+01 volume  0.14630E-01 ppm1      1.294 ppm2      4.219 CV     1
 OR {  409}
   (( segid "B   " and resid 34   and name HG1 ))
   (( 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  0.13402E-01 ppm1      1.418 ppm2      4.251 CV     1
 OR {  413}
   (( segid "B   " and resid 24   and name HB1 ))
   (( segid "B   " and resid 20   and name HA  ))
 OR {  413}
   (( segid "B   " and resid 21   and name HG2 ))
   (( 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  ))
      2.200     0.600     0.600 peak   414 weight  0.10000E+01 volume  0.78749E-02 ppm1      1.419 ppm2      4.174 CV     1
 OR {  414}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 16   and name HB  ))
 OR {  414}
   (( segid "B   " and resid 31   and name HB1 ))
   (( segid "B   " and resid 31   and name HA  ))
 OR {  414}
   (( segid "B   " and resid 31   and name HB1 ))
   (( segid "B   " and resid 27   and name HA  ))
 OR {  414}
   (( segid "B   " and resid 25   and name HG1 ))
   (( 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  ))
      2.300     0.700     0.700 peak   415 weight  0.10000E+01 volume  0.67912E-02 ppm1      1.419 ppm2      4.210 CV     1
 OR {  415}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 16   and name HB  ))
 OR {  415}
   (( segid "B   " and resid 31   and name HB1 ))
   (( segid "B   " and resid 31   and name HA  ))
 OR {  415}
   (( segid "B   " and resid 24   and name HB1 ))
   (( segid "B   " and resid 20   and name HA  ))
 OR {  415}
   (( segid "B   " and resid 21   and name HG2 ))
   (( segid "B   " and resid 21   and name HA  ))
 ASSI {  418}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HD2 ))
      2.900     1.000     1.000 peak   418 weight  0.10000E+01 volume  0.17700E-02 ppm1      7.293 ppm2      3.183 CV     1
 OR {  418}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 26   and name HB1 ))
 OR {  418}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 18   and name HB2 ))
 ASSI {  424}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 11   and name HB1 ))
      3.700     1.700     1.700 peak   424 weight  0.10000E+01 volume  0.11198E-02 ppm1      7.335 ppm2      1.907 CV     1
 OR {  424}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "A   " and resid 11   and name HB1 ))
 OR {  424}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 17   and name HB  ))
 OR {  424}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 20   and name HB2 ))
 ASSI {  426}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HG2 ))
      3.200     1.200     1.200 peak   426 weight  0.10000E+01 volume  0.15172E-02 ppm1      7.292 ppm2      1.593 CV     1
 OR {  426}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 13   and name HB2 ))
 OR {  426}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HG2 ))
 ASSI {  446}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 10   and name HB1 ))
      4.000     2.000     2.000 peak   446 weight  0.10000E+01 volume  0.97533E-03 ppm1      8.014 ppm2      2.766 CV     1
 OR {  446}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 10   and name HB1 ))
 OR {  446}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 19   and name HB2 ))
 ASSI {  447}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 6    and name HB2 ))
      3.600     1.600     1.600 peak   447 weight  0.10000E+01 volume  0.11198E-02 ppm1      7.994 ppm2      3.048 CV     1
 OR {  447}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 23   and name HB2 ))
 ASSI {  451}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 9    and name HD2 ))
      3.700     1.700     1.700 peak   451 weight  0.10000E+01 volume  0.10476E-02 ppm1      8.019 ppm2      3.227 CV     1
 OR {  451}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 23   and name HB1 ))
 OR {  451}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 9    and name HD2 ))
 ASSI {  452}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 32   and name HD2 ))
      3.400     1.400     1.400 peak   452 weight  0.10000E+01 volume  0.19868E-02 ppm1      7.938 ppm2      3.158 CV     1
 OR {  452}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HD2 ))
 OR {  452}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 18   and name HB2 ))
 OR {  452}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 9    and name HD2 ))
 OR {  452}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
 ASSI {  453}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 9    and name HD2 ))
      3.800     1.800     1.800 peak   453 weight  0.10000E+01 volume  0.90307E-03 ppm1      7.960 ppm2      3.230 CV     1
 OR {  453}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 23   and name HB1 ))
 OR {  453}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 9    and name HD2 ))
 OR {  453}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 9    and name HD2 ))
 ASSI {  461}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 17   and name HD11))
      3.100     3.100     2.900 peak   461 weight  0.10000E+01 volume  0.90307E-03 ppm1      8.511 ppm2      0.891 CV     1
 OR {  461}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  466}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 17   and name HN  ))
      3.300     1.300     1.300 peak   466 weight  0.10000E+01 volume  0.18062E-02 ppm1      8.275 ppm2      8.123 CV     1
 OR {  466}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 23   and name HN  ))
 OR {  466}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 17   and name HN  ))
 ASSI {  469}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 3    and name HN  ))
      3.900     1.900     1.900 peak   469 weight  0.10000E+01 volume  0.93921E-03 ppm1      7.904 ppm2      7.687 CV     1
 OR {  469}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 35   and name HE3 ))
 ASSI {  472}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 18   and name HB2 ))
      3.600     1.600     1.600 peak   472 weight  0.10000E+01 volume  0.17700E-02 ppm1      8.247 ppm2      3.157 CV     1
 OR {  472}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
 OR {  472}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
 OR {  472}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 26   and name HB1 ))
 OR {  472}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 18   and name HB2 ))
 OR {  472}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
 ASSI {  481}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 24   and name HB1 ))
      3.500     1.500     1.500 peak   481 weight  0.10000E+01 volume  0.14088E-02 ppm1      8.255 ppm2      1.411 CV     1
 OR {  481}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 21   and name HG2 ))
 OR {  481}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 12   and name HG2 ))
 OR {  481}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 24   and name HB1 ))
 OR {  481}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 24   and name HB1 ))
 ASSI {  482}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HG2 ))
      4.000     2.000     2.000 peak   482 weight  0.10000E+01 volume  0.11559E-02 ppm1      8.253 ppm2      1.608 CV     1
 OR {  482}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 14   and name HG  ))
 OR {  482}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 30   and name HG2 ))
 OR {  482}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 14   and name HB2 ))
 ASSI {  483}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 20   and name HG1 ))
      3.000     1.200     1.200 peak   483 weight  0.10000E+01 volume  0.13727E-02 ppm1      8.262 ppm2      1.679 CV     1
 OR {  483}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HG2 ))
 OR {  483}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 21   and name HD1 ))
 OR {  483}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 20   and name HG1 ))
 ASSI {  484}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HG2 ))
      3.600     1.600     1.600 peak   484 weight  0.10000E+01 volume  0.17700E-02 ppm1      8.238 ppm2      1.681 CV     1
 OR {  484}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 21   and name HD1 ))
 OR {  484}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 8    and name HD2 ))
 OR {  484}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 20   and name HG1 ))
 OR {  484}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 3    and name HB2 ))
 OR {  484}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "A   " and resid 8    and name HD2 ))
 ASSI {  485}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 17   and name HG21))
      3.600     1.600     1.600 peak   485 weight  0.10000E+01 volume  0.16255E-02 ppm1      8.257 ppm2      0.838 CV     1
 OR {  485}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  485}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  486}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HB1 ))
      3.100     1.200     1.200 peak   486 weight  0.10000E+01 volume  0.41542E-02 ppm1      8.262 ppm2      1.904 CV     1
 OR {  486}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 20   and name HB2 ))
 OR {  486}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 1    and name HB2 ))
 ASSI {  487}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 18   and name HB1 ))
      3.600     1.600     1.600 peak   487 weight  0.10000E+01 volume  0.10837E-02 ppm1      8.234 ppm2      3.190 CV     1
 OR {  487}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HE  ))
 OR {  487}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 23   and name HB1 ))
 OR {  487}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 18   and name HB2 ))
 OR {  487}
   (( segid "B   " and resid 27   and name HN  ))
   (( segid "B   " and resid 26   and name HB1 ))
 OR {  487}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HD2 ))
 OR {  487}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 26   and name HB1 ))
 ASSI {  488}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 18   and name HB1 ))
      3.400     1.400     1.400 peak   488 weight  0.10000E+01 volume  0.15172E-02 ppm1      8.262 ppm2      3.196 CV     1
 OR {  488}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HE  ))
 OR {  488}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 20   and name HD2 ))
 OR {  488}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 18   and name HB2 ))
 OR {  488}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HD2 ))
 OR {  488}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 26   and name HB1 ))
 ASSI {  493}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 9    and name HD2 ))
      3.400     1.400     1.400 peak   493 weight  0.10000E+01 volume  0.14449E-02 ppm1      8.126 ppm2      3.193 CV     1
 OR {  493}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 9    and name HD1 ))
 OR {  493}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 23   and name HB1 ))
 OR {  493}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 18   and name HB1 ))
 ASSI {  494}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 7    and name HB2 ))
      4.100     2.100     1.900 peak   494 weight  0.10000E+01 volume  0.10114E-02 ppm1      8.139 ppm2      2.965 CV     1
 OR {  494}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 8    and name HE2 ))
 ASSI {  496}
   (( segid "A   " and resid 9    and name HN  ))
   (  segid "A   " and resid 4    and name HG2%)
      3.900     1.900     1.900 peak   496 weight  0.10000E+01 volume  0.11559E-02 ppm1      8.130 ppm2      0.926 CV     1
 OR {  496}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  496}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  496}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 13   and name HD21))
 ASSI {  517}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 29   and name HB2 ))
      3.200     1.300     1.300 peak   517 weight  0.10000E+01 volume  0.10837E-02 ppm1      8.025 ppm2      2.012 CV     1
 OR {  517}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 27   and name HB2 ))
 OR {  517}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 27   and name HB2 ))
 ASSI {  519}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 29   and name HB2 ))
      3.100     1.200     1.200 peak   519 weight  0.10000E+01 volume  0.93921E-03 ppm1      8.024 ppm2      2.078 CV     1
 OR {  519}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 29   and name HB2 ))
 ASSI {  521}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 22   and name HB2 ))
      4.600     2.600     1.400 peak   521 weight  0.10000E+01 volume  0.75858E-03 ppm1      7.981 ppm2      1.962 CV     1
 OR {  521}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 20   and name HB2 ))
 OR {  521}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {    3}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 7    and name HA  ))
      3.200     1.300     1.300 peak     3 weight  0.10000E+01 volume  0.41236E-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 {   16}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 22   and name HA  ))
      2.800     2.800     3.200 peak    16 weight  0.10000E+01 volume  0.38234E-02 ppm1      7.242 ppm2      4.228 CV     1
 OR {   16}
   (( segid "A   " and resid 2    and name HD1 ))
   (( segid "A   " and resid 1    and name HA  ))
 ASSI {   30}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "A   " and resid 2    and name HB2 ))
      2.400     0.700     0.700 peak    30 weight  0.10000E+01 volume  0.11610E-02 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 ))
      3.300     1.400     1.400 peak    49 weight  0.10000E+01 volume  0.40234E-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 {   61}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 25   and name HB2 ))
      3.200     3.200     2.800 peak    61 weight  0.10000E+01 volume  0.18016E-02 ppm1      7.358 ppm2      1.819 CV     1
 OR {   61}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 17   and name HB  ))
 ASSI {   73}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 20   and name HD2 ))
      2.700     2.700     3.300 peak    73 weight  0.10000E+01 volume  0.29826E-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 {  114}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HD11))
      3.000     1.200     1.200 peak   114 weight  0.10000E+01 volume  0.23421E-02 ppm1      7.315 ppm2      0.868 CV     1
 OR {  114}
   (( segid "B   " and resid 18   and name HD2 ))
   (( segid "B   " and resid 14   and name HD11))
 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 HD13))
 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 15   and name HD12))
 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 HD11))
 ASSI {  123}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 23   and name HB2 ))
      2.900     1.000     1.000 peak   123 weight  0.10000E+01 volume  0.24020E-02 ppm1      7.262 ppm2      3.081 CV     1
 OR {  123}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 26   and name HB2 ))
 ASSI {  155}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 8    and name HG2 ))
      3.900     1.900     1.900 peak   155 weight  0.10000E+01 volume  0.18016E-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 HB1 ))
 OR {  155}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 33   and name HB3 ))
 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  0.96084E-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 {  195}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 28   and name HB2 ))
      3.400     1.400     1.400 peak   195 weight  0.10000E+01 volume  0.14213E-02 ppm1      4.555 ppm2      2.078 CV     1
 OR {  195}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 4    and name HB  ))
 ASSI {  240}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 8    and name HE2 ))
      3.800     1.800     1.800 peak   240 weight  0.10000E+01 volume  0.17015E-02 ppm1      4.276 ppm2      2.966 CV     1
 OR {  240}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
 ASSI {  241}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 8    and name HE2 ))
      3.900     1.900     1.900 peak   241 weight  0.10000E+01 volume  0.14213E-02 ppm1      4.279 ppm2      2.939 CV     1
 OR {  241}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
 ASSI {  244}
   (( segid "B   " and resid 21   and name HA  ))
   (( segid "B   " and resid 22   and name HB1 ))
      3.500     3.500     2.500 peak   244 weight  0.10000E+01 volume  0.28424E-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 HB1 ))
 ASSI {  291}
   (( segid "B   " and resid 30   and name HA  ))
   (( segid "B   " and resid 30   and name HG1 ))
      2.400     0.700     0.700 peak   291 weight  0.10000E+01 volume  0.16715E-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 "A   " and resid 11   and name HE  ))
   (( segid "A   " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak   343 weight  0.10000E+01 volume  0.76067E-02 ppm1      3.204 ppm2      1.911 CV     1
 OR {  343}
   (( segid "B   " and resid 20   and name HD2 ))
   (( segid "B   " and resid 20   and name HB2 ))
 ASSI {  352}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
      4.100     2.100     1.900 peak   352 weight  0.10000E+01 volume  0.11810E-02 ppm1      4.555 ppm2      0.875 CV     1
 OR {  352}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "B   " and resid 15   and name HG22))
 OR {  352}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "B   " and resid 17   and name HG21))
 OR {  352}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "B   " and resid 17   and name HG23))
 OR {  352}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "B   " and resid 17   and name HG22))
 ASSI {  368}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "B   " and resid 17   and name HG21))
      4.300     2.300     1.700 peak   368 weight  0.10000E+01 volume  0.11410E-02 ppm1      4.032 ppm2      0.876 CV     1
 OR {  368}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "B   " and resid 15   and name HG22))
 OR {  368}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  368}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "B   " and resid 17   and name HG22))
 OR {  368}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "B   " and resid 17   and name HG23))
 ASSI {  369}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "B   " and resid 17   and name HG21))
      4.200     2.200     1.800 peak   369 weight  0.10000E+01 volume  0.12411E-02 ppm1      4.035 ppm2      0.846 CV     1
 OR {  369}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 15   and name HD13))
 OR {  369}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "B   " and resid 17   and name HG22))
 OR {  369}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "B   " and resid 17   and name HG23))
 ASSI {  396}
   (( segid "A   " and resid 7    and name HB2 ))
   (  segid "A   " and resid 4    and name HG2%)
      3.800     1.800     1.800 peak   396 weight  0.10000E+01 volume  0.16014E-02 ppm1      3.004 ppm2      0.917 CV     1
 OR {  396}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  429}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 3    and name HA  ))
      3.900     1.900     1.900 peak   429 weight  0.10000E+01 volume  0.14813E-02 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 {  442}
   (( segid "B   " and resid 35   and name HZ2 ))
   (( segid "B   " and resid 32   and name HA  ))
      3.700     1.700     1.700 peak   442 weight  0.10000E+01 volume  0.90079E-03 ppm1      7.516 ppm2      4.183 CV     1
 OR {  442}
   (( segid "B   " and resid 35   and name HZ2 ))
   (( segid "B   " and resid 31   and name HA  ))
 ASSI {  447}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 3    and name HG2 ))
      3.300     1.400     1.400 peak   447 weight  0.10000E+01 volume  0.90079E-03 ppm1      7.588 ppm2      1.077 CV     1
 OR {  447}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "B   " and resid 16   and name HG23))
 OR {  447}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "B   " and resid 16   and name HG21))
 ASSI {  464}
   (  segid "A   " and resid 7    and name HE% )
   (  segid "B   " and resid 17   and name HG1%)
      4.000     2.000     2.000 peak   464 weight  0.10000E+01 volume  0.90079E-03 ppm1      7.361 ppm2      1.145 CV     1
 OR {  464}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 16   and name HG21))
 OR {  464}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 16   and name HG22))
 OR {  464}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 16   and name HG23))
 ASSI {  500}
   (( segid "B   " and resid 35   and name HE3 ))
   (( segid "B   " and resid 34   and name HD2 ))
      2.600     2.600     3.400 peak   500 weight  0.10000E+01 volume  0.54048E-03 ppm1      7.667 ppm2      1.644 CV     1
 OR {  500}
   (( segid "B   " and resid 35   and name HE3 ))
   (( segid "B   " and resid 32   and name HG2 ))
 ASSI {  519}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 28   and name HG2 ))
      4.400     2.400     1.600 peak   519 weight  0.10000E+01 volume  0.56050E-03 ppm1      4.567 ppm2      2.362 CV     1
 OR {  519}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 27   and name HG1 ))
 ASSI {  568}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 19   and name HB2 ))
      4.400     2.400     1.600 peak   568 weight  0.10000E+01 volume  0.72063E-03 ppm1      4.246 ppm2      2.745 CV     1
 OR {  568}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 10   and name HB1 ))
 ASSI {   14}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HA  ))
      2.700     0.900     0.900 peak    14 weight  0.10000E+01 volume  0.44238E-02 ppm1      7.263 ppm2      4.241 CV     1
 OR {   14}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 22   and name HA  ))
 OR {   14}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 31   and name HA  ))
 OR {   14}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 8    and name HA  ))
 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  0.11891E-01 ppm1      7.243 ppm2      4.549 CV     1
 OR {   18}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 19   and name HA  ))
 OR {   18}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 23   and name HA  ))
 ASSI {   20}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HA  ))
      3.600     1.700     1.700 peak    20 weight  0.10000E+01 volume  0.10009E-02 ppm1      7.243 ppm2      4.486 CV     1
 OR {   20}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 36   and name HA  ))
 OR {   20}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 13   and name HA  ))
 OR {   20}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 6    and name HA  ))
 ASSI {   80}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 3    and name HE1 ))
      3.900     1.900     1.900 peak    80 weight  0.10000E+01 volume  0.10209E-02 ppm1      7.330 ppm2      2.893 CV     1
 OR {   80}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 10   and name HB2 ))
 OR {   80}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "A   " and resid 10   and name HB2 ))
 ASSI {   85}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 23   and name HB1 ))
      2.700     0.900     0.900 peak    85 weight  0.10000E+01 volume  0.28024E-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 18   and name HD1 ))
   (( segid "B   " and resid 18   and name HB1 ))
 OR {   85}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 20   and name HD2 ))
 OR {   85}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "A   " and resid 11   and name HE  ))
 OR {   85}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 18   and name HB2 ))
 OR {   85}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 26   and name HB1 ))
 ASSI {   86}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 18   and name HB2 ))
      3.700     1.700     1.700 peak    86 weight  0.10000E+01 volume  0.18016E-02 ppm1      7.323 ppm2      3.128 CV     1
 OR {   86}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 7    and name HB1 ))
 OR {   86}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 26   and name HB1 ))
 OR {   86}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 26   and name HB2 ))
 ASSI {   91}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 4    and name HB  ))
      3.300     3.300     2.700 peak    91 weight  0.10000E+01 volume  0.13412E-02 ppm1      7.325 ppm2      2.076 CV     1
 OR {   91}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 29   and name HB2 ))
 OR {   91}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 28   and name HB2 ))
 OR {   91}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "A   " and resid 4    and name HB  ))
 ASSI {   92}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HB2 ))
      3.000     3.000     3.000 peak    92 weight  0.10000E+01 volume  0.31228E-02 ppm1      7.324 ppm2      2.049 CV     1
 OR {   92}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 4    and name HB  ))
 OR {   92}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 29   and name HB2 ))
 OR {   92}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 27   and name HB2 ))
 OR {   92}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 27   and name HB2 ))
 ASSI {   93}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 22   and name HB1 ))
      3.600     1.600     1.600 peak    93 weight  0.10000E+01 volume  0.10209E-02 ppm1      7.324 ppm2      1.982 CV     1
 OR {   93}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 22   and name HB1 ))
 OR {   93}
   (  segid "B   " and resid 26   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 HB1 ))
 ASSI {   94}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 11   and name HB2 ))
      3.200     1.300     1.300 peak    94 weight  0.10000E+01 volume  0.23821E-02 ppm1      7.326 ppm2      1.917 CV     1
 OR {   94}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "A   " and resid 11   and name HB2 ))
 OR {   94}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 17   and name HB  ))
 OR {   94}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 20   and name HB2 ))
 ASSI {   95}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 3    and name HB2 ))
      3.100     1.200     1.200 peak    95 weight  0.10000E+01 volume  0.18016E-02 ppm1      7.324 ppm2      1.742 CV     1
 OR {   95}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 25   and name HB2 ))
 OR {   95}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HB2 ))
 ASSI {   97}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 20   and name HG2 ))
      2.800     1.000     1.000 peak    97 weight  0.10000E+01 volume  0.28024E-02 ppm1      7.324 ppm2      1.638 CV     1
 OR {   97}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 11   and name HG1 ))
 OR {   97}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "A   " and resid 11   and name HG1 ))
 OR {   97}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HG2 ))
 ASSI {   99}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 3    and name HD1 ))
      3.500     1.500     1.500 peak    99 weight  0.10000E+01 volume  0.14613E-02 ppm1      7.322 ppm2      1.542 CV     1
 OR {   99}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 33   and name HB1 ))
 OR {   99}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "A   " and resid 3    and name HD1 ))
 ASSI {  105}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 17   and name HD11))
      3.300     3.300     2.700 peak   105 weight  0.10000E+01 volume  0.22820E-02 ppm1      7.322 ppm2      0.885 CV     1
 OR {  105}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 17   and name HG21))
 OR {  105}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  111}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 25   and name HD1 ))
      3.500     1.500     1.500 peak   111 weight  0.10000E+01 volume  0.11810E-02 ppm1      7.319 ppm2      1.576 CV     1
 OR {  111}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 3    and name HD1 ))
 OR {  111}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "A   " and resid 3    and name HD1 ))
 ASSI {  120}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "A   " and resid 11   and name HB2 ))
      4.400     2.400     1.600 peak   120 weight  0.10000E+01 volume  0.56050E-03 ppm1      7.295 ppm2      1.866 CV     1
 OR {  120}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 12   and name HB2 ))
 OR {  120}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HB1 ))
 OR {  120}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "A   " and resid 11   and name HB1 ))
 OR {  120}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HB1 ))
 ASSI {  122}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HD2 ))
      2.400     0.700     0.700 peak   122 weight  0.10000E+01 volume  0.51045E-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 23   and name HD% )
   (( segid "B   " and resid 23   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  ))
 OR {  122}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 18   and name HB2 ))
 ASSI {  128}
   (( segid "B   " and resid 20   and name HH21))
   (( segid "B   " and resid 20   and name HB2 ))
      3.200     1.300     1.300 peak   128 weight  0.10000E+01 volume  0.14213E-02 ppm1      7.265 ppm2      1.966 CV     1
 OR {  128}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 22   and name HB1 ))
 OR {  128}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {  144}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 11   and name HB2 ))
      3.000     1.100     1.100 peak   144 weight  0.10000E+01 volume  0.30027E-02 ppm1      7.263 ppm2      1.888 CV     1
 OR {  144}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 11   and name HB1 ))
 OR {  144}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 17   and name HB  ))
 OR {  144}
   (( segid "B   " and resid 20   and name HH21))
   (( segid "B   " and resid 20   and name HB2 ))
 OR {  144}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 12   and name HB2 ))
 OR {  144}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HB1 ))
 OR {  144}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "A   " and resid 11   and name HB1 ))
 ASSI {  154}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 22   and name HB1 ))
      3.300     1.400     1.400 peak   154 weight  0.10000E+01 volume  0.10810E-02 ppm1      7.257 ppm2      1.990 CV     1
 OR {  154}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 27   and name HB2 ))
 OR {  154}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {  159}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 11   and name HB1 ))
      3.300     1.400     1.400 peak   159 weight  0.10000E+01 volume  0.17015E-02 ppm1      7.242 ppm2      1.815 CV     1
 OR {  159}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 25   and name HB2 ))
 OR {  159}
   (( segid "B   " and resid 30   and name HH21))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  159}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HB1 ))
 OR {  159}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HB1 ))
 OR {  159}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HB2 ))
 OR {  159}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 25   and name HB2 ))
 ASSI {  183}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 12   and name HB2 ))
      3.700     1.700     1.700 peak   183 weight  0.10000E+01 volume  0.98087E-03 ppm1      7.107 ppm2      1.917 CV     1
 OR {  183}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 1    and name HB2 ))
 ASSI {  199}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 24   and name HB1 ))
      3.300     1.400     1.400 peak   199 weight  0.10000E+01 volume  0.15414E-02 ppm1      4.554 ppm2      1.388 CV     1
 OR {  199}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 25   and name HG1 ))
 OR {  199}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 8    and name HG2 ))
 OR {  199}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 25   and name HG1 ))
 ASSI {  200}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 26   and name HB1 ))
      1.900     0.500     0.500 peak   200 weight  0.10000E+01 volume  0.27985E-01 ppm1      4.549 ppm2      3.119 CV     1
 OR {  200}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 26   and name HB2 ))
 OR {  200}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 23   and name HB2 ))
 OR {  200}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 9    and name HD2 ))
 ASSI {  201}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
      2.300     0.700     0.700 peak   201 weight  0.10000E+01 volume  0.10329E-01 ppm1      4.549 ppm2      2.964 CV     1
 OR {  201}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 6    and name HB2 ))
 ASSI {  221}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 12   and name HB2 ))
      3.700     1.700     1.700 peak   221 weight  0.10000E+01 volume  0.11410E-02 ppm1      4.443 ppm2      1.918 CV     1
 OR {  221}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 17   and name HB  ))
 OR {  221}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "A   " and resid 11   and name HB2 ))
 OR {  221}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 12   and name HB2 ))
 ASSI {  222}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 13   and name HG  ))
      2.300     0.700     0.700 peak   222 weight  0.10000E+01 volume  0.44238E-02 ppm1      4.439 ppm2      1.617 CV     1
 OR {  222}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 14   and name HB2 ))
 OR {  222}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 13   and name HB2 ))
 ASSI {  225}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 13   and name HB2 ))
      3.000     1.100     1.100 peak   225 weight  0.10000E+01 volume  0.14413E-02 ppm1      4.402 ppm2      1.640 CV     1
 OR {  225}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "A   " and resid 8    and name HD2 ))
 ASSI {  233}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 8    and name HE2 ))
      3.500     1.500     1.500 peak   233 weight  0.10000E+01 volume  0.24622E-02 ppm1      4.284 ppm2      2.997 CV     1
 OR {  233}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
 OR {  233}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
 ASSI {  238}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 11   and name HG1 ))
      2.400     0.700     0.700 peak   238 weight  0.10000E+01 volume  0.14873E-01 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 HG2 ))
 OR {  238}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 20   and name HG2 ))
 ASSI {  247}
   (( segid "B   " and resid 34   and name HA  ))
   (( segid "B   " and resid 36   and name HB2 ))
      2.900     2.900     3.100 peak   247 weight  0.10000E+01 volume  0.56851E-02 ppm1      4.243 ppm2      2.464 CV     1
 OR {  247}
   (( segid "B   " and resid 32   and name HA  ))
   (( segid "B   " and resid 36   and name HB2 ))
 ASSI {  257}
   (( segid "A   " and resid 8    and name HA  ))
   (  segid "B   " and resid 15   and name HG1%)
      3.200     1.300     1.300 peak   257 weight  0.10000E+01 volume  0.11010E-02 ppm1      4.243 ppm2      1.143 CV     1
 OR {  257}
   (( segid "A   " and resid 9    and name HA  ))
   (  segid "B   " and resid 15   and name HG1%)
 OR {  257}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "B   " and resid 16   and name HG21))
 ASSI {  259}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 30   and name HD2 ))
      3.800     1.800     1.800 peak   259 weight  0.10000E+01 volume  0.10810E-02 ppm1      4.233 ppm2      3.057 CV     1
 OR {  259}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 26   and name HB2 ))
 OR {  259}
   (( segid "B   " and resid 24   and name HA  ))
   (( segid "B   " and resid 23   and name HB2 ))
 OR {  259}
   (( segid "B   " and resid 22   and name HA  ))
   (( segid "B   " and resid 23   and name HB2 ))
 ASSI {  262}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 9    and name HB1 ))
      2.000     0.500     0.500 peak   262 weight  0.10000E+01 volume  0.16514E-01 ppm1      4.233 ppm2      1.796 CV     1
 OR {  262}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 8    and name HB1 ))
 OR {  262}
   (( segid "B   " and resid 32   and name HA  ))
   (( segid "B   " and resid 32   and name HB2 ))
 OR {  262}
   (( segid "B   " and resid 21   and name HA  ))
   (( segid "B   " and resid 21   and name HB1 ))
 OR {  262}
   (( segid "B   " and resid 32   and name HA  ))
   (( segid "B   " and resid 32   and name HB1 ))
 ASSI {  268}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 7    and name HB1 ))
      3.400     1.400     1.400 peak   268 weight  0.10000E+01 volume  0.23220E-02 ppm1      4.227 ppm2      3.113 CV     1
 OR {  268}
   (( segid "B   " and resid 16   and name HB  ))
   (( segid "A   " and resid 7    and name HB1 ))
 OR {  268}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 30   and name HD2 ))
 OR {  268}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 26   and name HB2 ))
 OR {  268}
   (( segid "B   " and resid 30   and name HA  ))
   (( segid "B   " and resid 30   and name HD2 ))
 OR {  268}
   (( segid "B   " and resid 22   and name HA  ))
   (( segid "B   " and resid 23   and name HB2 ))
 OR {  268}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 7    and name HB1 ))
 ASSI {  269}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 7    and name HB1 ))
      3.800     1.800     1.800 peak   269 weight  0.10000E+01 volume  0.10810E-02 ppm1      4.227 ppm2      3.086 CV     1
 OR {  269}
   (( segid "B   " and resid 16   and name HB  ))
   (( segid "A   " and resid 7    and name HB1 ))
 OR {  269}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 30   and name HD2 ))
 OR {  269}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 26   and name HB2 ))
 OR {  269}
   (( segid "B   " and resid 30   and name HA  ))
   (( segid "B   " and resid 30   and name HD2 ))
 OR {  269}
   (( segid "B   " and resid 22   and name HA  ))
   (( segid "B   " and resid 23   and name HB2 ))
 ASSI {  270}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
      2.800     1.000     1.000 peak   270 weight  0.10000E+01 volume  0.63256E-02 ppm1      4.228 ppm2      2.996 CV     1
 OR {  270}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 6    and name HB2 ))
 OR {  270}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
 OR {  270}
   (( segid "B   " and resid 16   and name HB  ))
   (( 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 ))
 ASSI {  271}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 3    and name HB2 ))
      1.800     0.400     0.400 peak   271 weight  0.10000E+01 volume  0.36793E-01 ppm1      4.226 ppm2      1.693 CV     1
 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))
      3.300     1.300     1.300 peak   273 weight  0.10000E+01 volume  0.11010E-02 ppm1      4.224 ppm2      1.158 CV     1
 OR {  273}
   (( segid "A   " and resid 8    and name HA  ))
   (  segid "B   " and resid 15   and name HG1%)
 OR {  273}
   (( segid "B   " and resid 15   and name HA  ))
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  275}
   (( segid "B   " and resid 16   and name HB  ))
   (( segid "A   " and resid 3    and name HE1 ))
      4.200     2.200     1.800 peak   275 weight  0.10000E+01 volume  0.10409E-02 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 HB2 ))
 ASSI {  276}
   (( segid "B   " and resid 30   and name HA  ))
   (( segid "B   " and resid 30   and name HG1 ))
      2.900     1.100     1.100 peak   276 weight  0.10000E+01 volume  0.27025E-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 HG2 ))
 OR {  276}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 3    and name HD1 ))
 OR {  276}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 30   and name HG1 ))
 ASSI {  285}
   (( segid "B   " and resid 22   and name HA  ))
   (( segid "B   " and resid 22   and name HB1 ))
      3.200     1.300     1.300 peak   285 weight  0.10000E+01 volume  0.16014E-02 ppm1      4.192 ppm2      1.973 CV     1
 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 ))
      2.700     0.900     0.900 peak   287 weight  0.10000E+01 volume  0.76668E-02 ppm1      4.182 ppm2      2.993 CV     1
 OR {  287}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 6    and name HB2 ))
 OR {  287}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
 OR {  287}
   (( segid "B   " and resid 16   and name HB  ))
   (( segid "A   " and resid 7    and name HB2 ))
 ASSI {  290}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 3    and name HB2 ))
      2.100     0.600     0.600 peak   290 weight  0.10000E+01 volume  0.19097E-01 ppm1      4.182 ppm2      1.699 CV     1
 OR {  290}
   (( segid "B   " and resid 34   and name HA  ))
   (( segid "B   " and resid 34   and name HB2 ))
 OR {  290}
   (( segid "B   " and resid 21   and name HA  ))
   (( segid "B   " and resid 21   and name HD1 ))
 ASSI {  294}
   (( segid "B   " and resid 24   and name HA  ))
   (( segid "B   " and resid 27   and name HB1 ))
      3.200     1.300     1.300 peak   294 weight  0.10000E+01 volume  0.16214E-02 ppm1      4.162 ppm2      1.971 CV     1
 OR {  294}
   (( segid "B   " and resid 27   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 HB2 ))
      3.600     1.600     1.600 peak   295 weight  0.10000E+01 volume  0.12211E-02 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 ))
 OR {  295}
   (( segid "B   " and resid 16   and name HB  ))
   (( segid "A   " and resid 4    and name HB  ))
 ASSI {  311}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 8    and name HB1 ))
      3.700     1.700     1.700 peak   311 weight  0.10000E+01 volume  0.11010E-02 ppm1      4.027 ppm2      1.782 CV     1
 OR {  311}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "A   " and resid 8    and name HB1 ))
 OR {  311}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 15   and name HB  ))
 ASSI {  336}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 3    and name HB2 ))
      4.100     2.100     1.900 peak   336 weight  0.10000E+01 volume  0.14012E-02 ppm1      3.303 ppm2      1.686 CV     1
 OR {  336}
   (( segid "B   " and resid 35   and name HB2 ))
   (( segid "B   " and resid 32   and name HG2 ))
 ASSI {  347}
   (( segid "A   " and resid 3    and name HE1 ))
   (( segid "B   " and resid 17   and name HB  ))
      2.900     1.100     1.100 peak   347 weight  0.10000E+01 volume  0.37232E-02 ppm1      2.881 ppm2      1.917 CV     1
 OR {  347}
   (( segid "A   " and resid 10   and name HB2 ))
   (( segid "A   " and resid 11   and name HB2 ))
 ASSI {  358}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 13   and name HD11))
      3.500     1.500     1.500 peak   358 weight  0.10000E+01 volume  0.19017E-02 ppm1      4.431 ppm2      0.890 CV     1
 OR {  358}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  358}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  358}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 14   and name HD21))
 ASSI {  359}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 17   and name HG21))
      2.800     1.000     1.000 peak   359 weight  0.10000E+01 volume  0.10609E-02 ppm1      4.414 ppm2      0.840 CV     1
 OR {  359}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 14   and name HD21))
 OR {  359}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  362}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
      3.700     1.700     1.700 peak   362 weight  0.10000E+01 volume  0.12211E-02 ppm1      4.374 ppm2      0.862 CV     1
 OR {  362}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  362}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  363}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
      3.500     1.500     1.500 peak   363 weight  0.10000E+01 volume  0.13412E-02 ppm1      4.371 ppm2      0.839 CV     1
 OR {  363}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  366}
   (( segid "A   " and resid 4    and name HA  ))
   (  segid "A   " and resid 4    and name HG2%)
      1.800     1.800     4.200 peak   366 weight  0.10000E+01 volume  0.45160E-01 ppm1      4.028 ppm2      0.946 CV     1
 OR {  366}
   (( segid "A   " and resid 4    and name HA  ))
   (  segid "A   " and resid 4    and name HG1%)
 OR {  366}
   (( segid "B   " and resid 12   and name HA  ))
   (  segid "A   " and resid 4    and name HG1%)
 ASSI {  380}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 14   and name HD11))
      3.300     1.400     1.400 peak   380 weight  0.10000E+01 volume  0.14813E-02 ppm1      3.206 ppm2      0.911 CV     1
 OR {  380}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 14   and name HD11))
 OR {  380}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  382}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 14   and name HD11))
      3.300     1.300     1.300 peak   382 weight  0.10000E+01 volume  0.10609E-02 ppm1      3.200 ppm2      0.980 CV     1
 OR {  382}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 13   and name HD21))
 OR {  382}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 14   and name HD11))
 ASSI {  387}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 13   and name HD21))
      3.100     1.200     1.200 peak   387 weight  0.10000E+01 volume  0.16415E-02 ppm1      3.176 ppm2      0.915 CV     1
 OR {  387}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 14   and name HD11))
 OR {  387}
   (( segid "A   " and resid 9    and name HD2 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  394}
   (( segid "B   " and resid 12   and name HE2 ))
   (  segid "A   " and resid 4    and name HG2%)
      3.700     1.700     1.700 peak   394 weight  0.10000E+01 volume  0.13212E-02 ppm1      3.023 ppm2      0.903 CV     1
 OR {  394}
   (( segid "A   " and resid 7    and name HB2 ))
   (  segid "A   " and resid 4    and name HG2%)
 OR {  394}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  394}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  394}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 17   and name HD11))
 ASSI {  395}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 13   and name HD11))
      3.800     1.800     1.800 peak   395 weight  0.10000E+01 volume  0.16615E-02 ppm1      3.013 ppm2      0.882 CV     1
 OR {  395}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 17   and name HG21))
 OR {  395}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  395}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 17   and name HG21))
 OR {  395}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 17   and name HD11))
 OR {  395}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  398}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 17   and name HG21))
      4.000     2.000     2.000 peak   398 weight  0.10000E+01 volume  0.13812E-02 ppm1      2.997 ppm2      0.840 CV     1
 OR {  398}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 17   and name HG21))
 OR {  398}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 17   and name HD11))
 ASSI {  399}
   (( segid "B   " and resid 12   and name HE2 ))
   (  segid "A   " and resid 4    and name HG2%)
      3.700     1.800     1.800 peak   399 weight  0.10000E+01 volume  0.12411E-02 ppm1      2.968 ppm2      0.918 CV     1
 OR {  399}
   (( segid "A   " and resid 7    and name HB2 ))
   (  segid "A   " and resid 4    and name HG2%)
 OR {  399}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  399}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  399}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  406}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 9    and name HG2 ))
      3.200     1.300     1.300 peak   406 weight  0.10000E+01 volume  0.30626E-02 ppm1      4.705 ppm2      1.630 CV     1
 OR {  406}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 13   and name HG  ))
 OR {  406}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 20   and name HG2 ))
 OR {  406}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 14   and name HB2 ))
 OR {  406}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 32   and name HG2 ))
 ASSI {  409}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 11   and name HB2 ))
      3.500     1.500     1.500 peak   409 weight  0.10000E+01 volume  0.15213E-02 ppm1      4.706 ppm2      1.911 CV     1
 OR {  409}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 20   and name HB2 ))
 ASSI {  420}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
      3.300     3.300     2.700 peak   420 weight  0.10000E+01 volume  0.12811E-02 ppm1      4.703 ppm2      0.901 CV     1
 OR {  420}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 14   and name HD11))
 OR {  420}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  426}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 15   and name HA  ))
      3.200     1.200     1.200 peak   426 weight  0.10000E+01 volume  0.41837E-02 ppm1      4.550 ppm2      4.225 CV     1
 OR {  426}
   (( segid "B   " and resid 36   and name HA  ))
   (( segid "B   " and resid 33   and name HA  ))
 OR {  426}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 22   and name HA  ))
 OR {  426}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 24   and name HA  ))
 OR {  426}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 20   and name HA  ))
 OR {  426}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 8    and name HA  ))
 OR {  426}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 20   and name HA  ))
 OR {  426}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 24   and name HA  ))
 OR {  426}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 9    and name HA  ))
 ASSI {  430}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "A   " and resid 8    and name HA  ))
      2.400     0.700     0.700 peak   430 weight  0.10000E+01 volume  0.27224E-02 ppm1      4.407 ppm2      4.177 CV     1
 OR {  430}
   (( segid "B   " and resid 16   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 HB2 ))
      3.900     1.900     1.900 peak   436 weight  0.10000E+01 volume  0.12811E-02 ppm1      4.706 ppm2      2.998 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  ))
      3.600     1.600     1.600 peak   445 weight  0.10000E+01 volume  0.94083E-03 ppm1      7.106 ppm2      4.229 CV     1
 OR {  445}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 16   and name HB  ))
 ASSI {  457}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 19   and name HB1 ))
      4.100     2.100     1.900 peak   457 weight  0.10000E+01 volume  0.82072E-03 ppm1      7.249 ppm2      2.711 CV     1
 OR {  457}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 19   and name HB1 ))
 ASSI {  473}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 17   and name HD11))
      4.000     2.000     2.000 peak   473 weight  0.10000E+01 volume  0.74066E-03 ppm1      7.112 ppm2      0.887 CV     1
 OR {  473}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  473}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  486}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
      2.900     1.000     1.000 peak   486 weight  0.10000E+01 volume  0.24020E-02 ppm1      4.293 ppm2      0.876 CV     1
 OR {  486}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  486}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  501}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "A   " and resid 1    and name HB2 ))
      4.100     2.100     1.900 peak   501 weight  0.10000E+01 volume  0.66059E-03 ppm1      7.660 ppm2      1.918 CV     1
 OR {  501}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "B   " and resid 17   and name HB  ))
 ASSI {  524}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "B   " and resid 17   and name HG21))
      3.800     1.800     1.800 peak   524 weight  0.10000E+01 volume  0.13812E-02 ppm1      2.081 ppm2      0.873 CV     1
 OR {  524}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "B   " and resid 17   and name HD11))
 OR {  524}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  528}
   (  segid "B   " and resid 15   and name HG1%)
   (( segid "B   " and resid 15   and name HD11))
      2.600     0.800     0.800 peak   528 weight  0.10000E+01 volume  0.36432E-02 ppm1      1.148 ppm2      0.864 CV     1
 OR {  528}
   (  segid "B   " and resid 15   and name HG1%)
   (( segid "B   " and resid 15   and name HG21))
 OR {  528}
   (  segid "B   " and resid 17   and name HG1%)
   (( segid "B   " and resid 17   and name HD11))
 ASSI {  532}
   (  segid "B   " and resid 15   and name HG1%)
   (( segid "B   " and resid 15   and name HD11))
      2.900     1.000     1.000 peak   532 weight  0.10000E+01 volume  0.21018E-02 ppm1      1.143 ppm2      0.842 CV     1
 OR {  532}
   (  segid "B   " and resid 17   and name HG1%)
   (( segid "B   " and resid 17   and name HD11))
 ASSI {  535}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
      4.500     2.500     1.500 peak   535 weight  0.10000E+01 volume  0.80071E-03 ppm1      4.574 ppm2      0.903 CV     1
 OR {  535}
   (( segid "A   " and resid 7    and name HA  ))
   (  segid "A   " and resid 4    and name HG2%)
 ASSI {  537}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 13   and name HD21))
      3.400     1.500     1.500 peak   537 weight  0.10000E+01 volume  0.10209E-02 ppm1      4.690 ppm2      0.942 CV     1
 OR {  537}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 14   and name HD11))
 ASSI {  540}
   (( segid "A   " and resid 9    and name HA  ))
   (  segid "B   " and resid 15   and name HG1%)
      3.400     1.500     1.500 peak   540 weight  0.10000E+01 volume  0.96084E-03 ppm1      4.297 ppm2      1.146 CV     1
 OR {  540}
   (( segid "A   " and resid 11   and name HA  ))
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  541}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
      3.100     1.200     1.200 peak   541 weight  0.10000E+01 volume  0.18216E-02 ppm1      4.199 ppm2      0.881 CV     1
 OR {  541}
   (( segid "B   " and resid 16   and name HB  ))
   (( segid "B   " and resid 17   and name HG21))
 OR {  541}
   (( segid "B   " and resid 15   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  541}
   (( segid "B   " and resid 15   and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  542}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
      3.000     1.100     1.100 peak   542 weight  0.10000E+01 volume  0.18016E-02 ppm1      4.242 ppm2      0.913 CV     1
 OR {  542}
   (( segid "A   " and resid 1    and name HA  ))
   (  segid "A   " and resid 4    and name HG2%)
 ASSI {  544}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
      3.800     1.800     1.800 peak   544 weight  0.10000E+01 volume  0.70062E-03 ppm1      4.238 ppm2      0.844 CV     1
 OR {  544}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  544}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  556}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 9    and name HD1 ))
      2.500     0.800     0.800 peak   556 weight  0.10000E+01 volume  0.28024E-02 ppm1      4.560 ppm2      3.193 CV     1
 OR {  556}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 26   and name HB1 ))
 OR {  556}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 23   and name HB1 ))
 OR {  556}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 9    and name HD2 ))
 ASSI {  557}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 26   and name HB1 ))
      2.600     0.900     0.900 peak   557 weight  0.10000E+01 volume  0.29627E-02 ppm1      4.587 ppm2      3.174 CV     1
 OR {  557}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 23   and name HB1 ))
 ASSI {  558}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 23   and name HB2 ))
      3.500     1.500     1.500 peak   558 weight  0.10000E+01 volume  0.11010E-02 ppm1      4.558 ppm2      3.049 CV     1
 OR {  558}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 6    and name HB2 ))
 ASSI {  566}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 10   and name HB2 ))
      4.200     2.200     1.800 peak   566 weight  0.10000E+01 volume  0.90079E-03 ppm1      4.227 ppm2      2.832 CV     1
 OR {  566}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 10   and name HB2 ))
 ASSI {  567}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 19   and name HB2 ))
      4.200     2.200     1.800 peak   567 weight  0.10000E+01 volume  0.82072E-03 ppm1      4.236 ppm2      2.777 CV     1
 OR {  567}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "B   " and resid 19   and name HB2 ))
 OR {  567}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 10   and name HB1 ))
 OR {  567}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 10   and name HB1 ))
 ASSI {  571}
   (( segid "B   " and resid 35   and name HB2 ))
   (( segid "B   " and resid 32   and name HB1 ))
      4.300     2.300     1.700 peak   571 weight  0.10000E+01 volume  0.92082E-03 ppm1      3.302 ppm2      1.829 CV     1
 OR {  571}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 17   and name HB  ))
 ASSI {  582}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 26   and name HB2 ))
      1.900     0.500     0.500 peak   582 weight  0.10000E+01 volume  0.77869E-02 ppm1      3.206 ppm2      3.058 CV     1
 OR {  582}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 23   and name HB2 ))
 ASSI {  583}
   (( segid "A   " and resid 9    and name HD2 ))
   (( segid "A   " and resid 8    and name HE2 ))
      3.100     1.200     1.200 peak   583 weight  0.10000E+01 volume  0.36432E-02 ppm1      3.207 ppm2      2.968 CV     1
 OR {  583}
   (( segid "A   " and resid 9    and name HD1 ))
   (( segid "A   " and resid 6    and name HB2 ))
 OR {  583}
   (( segid "A   " and resid 9    and name HD1 ))
   (( segid "A   " and resid 8    and name HE2 ))
 OR {  583}
   (( segid "A   " and resid 9    and name HD2 ))
   (( segid "A   " and resid 6    and name HB2 ))
 ASSI {  589}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "B   " and resid 17   and name HG21))
      4.200     2.200     1.800 peak   589 weight  0.10000E+01 volume  0.76067E-03 ppm1      3.080 ppm2      0.864 CV     1
 OR {  589}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  589}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "B   " and resid 17   and name HD11))
 ASSI {  593}
   (( segid "A   " and resid 7    and name HB1 ))
   (  segid "A   " and resid 4    and name HG2%)
      4.500     2.500     1.500 peak   593 weight  0.10000E+01 volume  0.74066E-03 ppm1      3.091 ppm2      0.909 CV     1
 OR {  593}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  593}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "B   " and resid 17   and name HD11))
 ASSI {  597}
   (( segid "A   " and resid 9    and name HD2 ))
   (( segid "A   " and resid 8    and name HG2 ))
      2.800     1.000     1.000 peak   597 weight  0.10000E+01 volume  0.88078E-03 ppm1      3.202 ppm2      1.392 CV     1
 OR {  597}
   (( segid "A   " and resid 9    and name HD1 ))
   (( segid "A   " and resid 8    and name HG2 ))
 OR {  597}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 25   and name HG1 ))
 ASSI {  599}
   (( segid "A   " and resid 9    and name HD2 ))
   (( segid "A   " and resid 8    and name HG2 ))
      2.500     0.800     0.800 peak   599 weight  0.10000E+01 volume  0.14213E-02 ppm1      3.133 ppm2      1.389 CV     1
 OR {  599}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 31   and name HB1 ))
 OR {  599}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 31   and name HB1 ))
 ASSI {  601}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 31   and name HB1 ))
      4.100     2.100     1.900 peak   601 weight  0.10000E+01 volume  0.62055E-03 ppm1      3.106 ppm2      1.418 CV     1
 OR {  601}
   (( segid "B   " and resid 23   and name HB2 ))
   (( segid "B   " and resid 25   and name HG1 ))
 OR {  601}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "B   " and resid 12   and name HG2 ))
 OR {  601}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 25   and name HG1 ))
 ASSI {  602}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 25   and name HG1 ))
      2.900     1.100     1.100 peak   602 weight  0.10000E+01 volume  0.13011E-02 ppm1      3.170 ppm2      1.437 CV     1
 OR {  602}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 25   and name HG1 ))
 OR {  602}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  606}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 33   and name HB1 ))
      3.700     1.700     1.700 peak   606 weight  0.10000E+01 volume  0.14012E-02 ppm1      3.191 ppm2      1.538 CV     1
 OR {  606}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 30   and name HG1 ))
 ASSI {  607}
   (( segid "B   " and resid 20   and name HD2 ))
   (( segid "B   " and resid 20   and name HG2 ))
      3.400     1.400     1.400 peak   607 weight  0.10000E+01 volume  0.64056E-03 ppm1      3.192 ppm2      1.624 CV     1
 OR {  607}
   (( segid "A   " and resid 9    and name HD1 ))
   (( segid "A   " and resid 9    and name HG2 ))
 OR {  607}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 32   and name HG2 ))
 OR {  607}
   (( segid "A   " and resid 11   and name HD2 ))
   (( segid "A   " and resid 11   and name HG1 ))
 OR {  607}
   (( segid "A   " and resid 9    and name HD2 ))
   (( segid "A   " and resid 9    and name HG2 ))
 OR {  607}
   (( segid "A   " and resid 11   and name HE  ))
   (( segid "A   " and resid 11   and name HG1 ))
 OR {  607}
   (( segid "A   " and resid 9    and name HD2 ))
   (( segid "A   " and resid 8    and name HD2 ))
 ASSI {  608}
   (( segid "B   " and resid 20   and name HD2 ))
   (( segid "B   " and resid 20   and name HG2 ))
      2.200     0.600     0.600 peak   608 weight  0.10000E+01 volume  0.88277E-02 ppm1      3.199 ppm2      1.649 CV     1
 OR {  608}
   (( segid "A   " and resid 9    and name HD1 ))
   (( segid "A   " and resid 9    and name HG2 ))
 OR {  608}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 32   and name HG2 ))
 OR {  608}
   (( segid "A   " and resid 11   and name HD2 ))
   (( segid "A   " and resid 11   and name HG1 ))
 OR {  608}
   (( segid "A   " and resid 9    and name HD2 ))
   (( segid "A   " and resid 9    and name HG2 ))
 OR {  608}
   (( segid "A   " and resid 11   and name HE  ))
   (( segid "A   " and resid 11   and name HG1 ))
 ASSI {  610}
   (( segid "A   " and resid 9    and name HD1 ))
   (( segid "A   " and resid 9    and name HB2 ))
      2.500     0.800     0.800 peak   610 weight  0.10000E+01 volume  0.84875E-02 ppm1      3.194 ppm2      1.761 CV     1
 OR {  610}
   (( segid "A   " and resid 9    and name HD2 ))
   (( segid "A   " and resid 9    and name HB2 ))
 OR {  610}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 32   and name HB2 ))
 OR {  610}
   (( segid "A   " and resid 9    and name HD2 ))
   (( segid "A   " and resid 8    and name HB1 ))
 OR {  610}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 21   and name HB1 ))
 OR {  610}
   (( segid "A   " and resid 9    and name HD1 ))
   (( segid "A   " and resid 8    and name HB1 ))
 ASSI {  614}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 8    and name HB1 ))
      2.800     1.000     1.000 peak   614 weight  0.10000E+01 volume  0.50044E-02 ppm1      2.998 ppm2      1.800 CV     1
 OR {  614}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 8    and name HB1 ))
 OR {  614}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 11   and name HB1 ))
 OR {  614}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 8    and name HB1 ))
 ASSI {  615}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 32   and name HB1 ))
      2.300     0.700     0.700 peak   615 weight  0.10000E+01 volume  0.52646E-02 ppm1      3.191 ppm2      1.839 CV     1
 OR {  615}
   (( segid "A   " and resid 9    and name HD2 ))
   (( segid "A   " and resid 9    and name HB1 ))
 OR {  615}
   (( segid "A   " and resid 11   and name HE  ))
   (( segid "A   " and resid 11   and name HB1 ))
 OR {  615}
   (( segid "A   " and resid 9    and name HD1 ))
   (( segid "A   " and resid 9    and name HB1 ))
 OR {  615}
   (( segid "A   " and resid 11   and name HD2 ))
   (( segid "A   " and resid 11   and name HB1 ))
 ASSI {  616}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 12   and name HB2 ))
      3.500     1.500     1.500 peak   616 weight  0.10000E+01 volume  0.21418E-02 ppm1      2.991 ppm2      1.913 CV     1
 OR {  616}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 11   and name HB2 ))
 OR {  616}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "B   " and resid 12   and name HB2 ))
 ASSI {  618}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 29   and name HB2 ))
      3.400     1.400     1.400 peak   618 weight  0.10000E+01 volume  0.13011E-02 ppm1      3.205 ppm2      2.105 CV     1
 OR {  618}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 28   and name HB2 ))
 ASSI {  619}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 29   and name HB2 ))
      3.400     1.400     1.400 peak   619 weight  0.10000E+01 volume  0.12611E-02 ppm1      3.211 ppm2      2.064 CV     1
 OR {  619}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HB2 ))
 OR {  619}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 28   and name HB2 ))
 OR {  619}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HB2 ))
 ASSI {  620}
   (( segid "B   " and resid 26   and name HB2 ))
   (( segid "B   " and resid 29   and name HB2 ))
      3.800     1.800     1.800 peak   620 weight  0.10000E+01 volume  0.10009E-02 ppm1      3.111 ppm2      2.083 CV     1
 OR {  620}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "A   " and resid 4    and name HB  ))
 ASSI {  621}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 29   and name HB2 ))
      4.000     2.000     2.000 peak   621 weight  0.10000E+01 volume  0.66059E-03 ppm1      3.156 ppm2      2.046 CV     1
 OR {  621}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "A   " and resid 4    and name HB  ))
 OR {  621}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HB2 ))
 ASSI {  622}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HB2 ))
      4.500     2.500     1.500 peak   622 weight  0.10000E+01 volume  0.68060E-03 ppm1      3.180 ppm2      1.995 CV     1
 OR {  622}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HB1 ))
 OR {  622}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 22   and name HB1 ))
 ASSI {  623}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HB2 ))
      4.300     2.300     1.700 peak   623 weight  0.10000E+01 volume  0.86075E-03 ppm1      3.210 ppm2      2.001 CV     1
 OR {  623}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 22   and name HB1 ))
 ASSI {  627}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 4    and name HB  ))
      3.500     1.500     1.500 peak   627 weight  0.10000E+01 volume  0.18616E-02 ppm1      2.993 ppm2      2.076 CV     1
 OR {  627}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "A   " and resid 4    and name HB  ))
 ASSI {  631}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HG1 ))
      3.500     1.500     1.500 peak   631 weight  0.10000E+01 volume  0.11810E-02 ppm1      3.179 ppm2      2.368 CV     1
 OR {  631}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 29   and name HG2 ))
 OR {  631}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HG1 ))
 ASSI {  632}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HG2 ))
      3.900     1.900     1.900 peak   632 weight  0.10000E+01 volume  0.13612E-02 ppm1      3.199 ppm2      2.278 CV     1
 OR {  632}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 22   and name HG1 ))
 OR {  632}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 27   and name HG2 ))
 OR {  632}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HG2 ))
 ASSI {  633}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 27   and name HG2 ))
      4.100     2.100     1.900 peak   633 weight  0.10000E+01 volume  0.96084E-03 ppm1      3.190 ppm2      2.206 CV     1
 OR {  633}
   (( segid "B   " and resid 23   and name HB1 ))
   (( segid "B   " and resid 22   and name HG1 ))
 OR {  633}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 22   and name HG2 ))
 OR {  633}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 27   and name HG2 ))
 OR {  633}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 27   and name HG2 ))
 ASSI {  638}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 19   and name HB1 ))
      3.900     1.900     1.900 peak   638 weight  0.10000E+01 volume  0.72063E-03 ppm1      3.207 ppm2      2.723 CV     1
 OR {  638}
   (( segid "A   " and resid 9    and name HD1 ))
   (( segid "A   " and resid 10   and name HB1 ))
 OR {  638}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 19   and name HB1 ))
 OR {  638}
   (( segid "A   " and resid 9    and name HD2 ))
   (( segid "A   " and resid 10   and name HB1 ))
 ASSI {  639}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 19   and name HB2 ))
      3.300     1.400     1.400 peak   639 weight  0.10000E+01 volume  0.15414E-02 ppm1      3.209 ppm2      2.789 CV     1
 OR {  639}
   (( segid "A   " and resid 9    and name HD1 ))
   (( segid "A   " and resid 10   and name HB1 ))
 OR {  639}
   (( segid "A   " and resid 9    and name HD2 ))
   (( segid "A   " and resid 10   and name HB1 ))
 ASSI {  640}
   (( segid "A   " and resid 9    and name HD1 ))
   (( segid "A   " and resid 10   and name HB2 ))
      3.300     1.400     1.400 peak   640 weight  0.10000E+01 volume  0.14613E-02 ppm1      3.209 ppm2      2.868 CV     1
 OR {  640}
   (( segid "A   " and resid 11   and name HE  ))
   (( segid "A   " and resid 10   and name HB2 ))
 OR {  640}
   (( segid "A   " and resid 11   and name HD2 ))
   (( segid "A   " and resid 10   and name HB2 ))
 ASSI {  642}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 8    and name HD2 ))
      3.200     1.300     1.300 peak   642 weight  0.10000E+01 volume  0.17415E-02 ppm1      3.002 ppm2      1.622 CV     1
 OR {  642}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 13   and name HB2 ))
 OR {  642}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 9    and name HG2 ))
 ASSI {  643}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 3    and name HD1 ))
      3.600     1.700     1.700 peak   643 weight  0.10000E+01 volume  0.23620E-02 ppm1      2.995 ppm2      1.556 CV     1
 OR {  643}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 13   and name HB2 ))
 ASSI {  646}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 8    and name HG2 ))
      2.600     0.900     0.900 peak   646 weight  0.10000E+01 volume  0.68060E-02 ppm1      2.998 ppm2      1.393 CV     1
 OR {  646}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  647}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 8    and name HG2 ))
      2.800     1.000     1.000 peak   647 weight  0.10000E+01 volume  0.50444E-02 ppm1      2.997 ppm2      1.345 CV     1
 OR {  647}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 8    and name HG2 ))
 ASSI {  651}
   (( segid "B   " and resid 19   and name HB1 ))
   (( segid "B   " and resid 24   and name HB1 ))
      3.200     1.300     1.300 peak   651 weight  0.10000E+01 volume  0.96084E-03 ppm1      2.736 ppm2      1.398 CV     1
 OR {  651}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 24   and name HB1 ))
 OR {  651}
   (( segid "A   " and resid 10   and name HB1 ))
   (( segid "A   " and resid 8    and name HG2 ))
 ASSI {  655}
   (( segid "B   " and resid 17   and name HB  ))
   (( segid "B   " and resid 17   and name HD11))
      2.200     0.600     0.600 peak   655 weight  0.10000E+01 volume  0.44238E-02 ppm1      1.828 ppm2      0.865 CV     1
 OR {  655}
   (( segid "B   " and resid 17   and name HB  ))
   (( segid "B   " and resid 17   and name HG21))
 OR {  655}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  655}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  657}
   (( segid "B   " and resid 13   and name HB2 ))
   (( segid "B   " and resid 13   and name HD11))
      2.400     0.700     0.700 peak   657 weight  0.10000E+01 volume  0.65057E-02 ppm1      1.611 ppm2      0.880 CV     1
 OR {  657}
   (( segid "B   " and resid 13   and name HG  ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  657}
   (( segid "B   " and resid 14   and name HG  ))
   (( segid "B   " and resid 14   and name HD21))
 OR {  657}
   (( segid "B   " and resid 14   and name HB2 ))
   (( segid "B   " and resid 14   and name HD21))
 OR {  657}
   (( segid "B   " and resid 13   and name HG  ))
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  658}
   (( segid "B   " and resid 13   and name HG  ))
   (( segid "B   " and resid 13   and name HD21))
      2.200     0.600     0.600 peak   658 weight  0.10000E+01 volume  0.75267E-02 ppm1      1.619 ppm2      0.917 CV     1
 OR {  658}
   (( segid "B   " and resid 13   and name HB2 ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  658}
   (( segid "B   " and resid 14   and name HG  ))
   (( segid "B   " and resid 14   and name HD11))
 OR {  658}
   (( segid "B   " and resid 13   and name HG  ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  658}
   (( segid "B   " and resid 14   and name HG  ))
   (( segid "B   " and resid 14   and name HD21))
 OR {  658}
   (( segid "B   " and resid 14   and name HB2 ))
   (( segid "B   " and resid 14   and name HD11))
 OR {  658}
   (( segid "B   " and resid 13   and name HB2 ))
   (( segid "B   " and resid 13   and name HD21))
 ASSI {  659}
   (( segid "B   " and resid 13   and name HG  ))
   (( segid "B   " and resid 13   and name HD21))
      2.200     0.600     0.600 peak   659 weight  0.10000E+01 volume  0.76467E-02 ppm1      1.619 ppm2      0.955 CV     1
 OR {  659}
   (( segid "B   " and resid 13   and name HB2 ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  659}
   (( segid "B   " and resid 14   and name HG  ))
   (( segid "B   " and resid 14   and name HD11))
 OR {  659}
   (( segid "B   " and resid 13   and name HG  ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  659}
   (( segid "B   " and resid 14   and name HB2 ))
   (( segid "B   " and resid 14   and name HD11))
 OR {  659}
   (( segid "A   " and resid 8    and name HD2 ))
   (  segid "A   " and resid 4    and name HG1%)
 ASSI {  664}
   (( segid "B   " and resid 12   and name HG2 ))
   (  segid "A   " and resid 4    and name HG2%)
      3.700     1.700     1.700 peak   664 weight  0.10000E+01 volume  0.15414E-02 ppm1      1.396 ppm2      0.948 CV     1
 OR {  664}
   (( segid "B   " and resid 12   and name HG2 ))
   (  segid "A   " and resid 4    and name HG1%)
 OR {  664}
   (( segid "A   " and resid 8    and name HG2 ))
   (  segid "A   " and resid 4    and name HG1%)
 ASSI {  666}
   (( segid "B   " and resid 12   and name HG2 ))
   (  segid "A   " and resid 4    and name HG2%)
      3.200     1.300     1.300 peak   666 weight  0.10000E+01 volume  0.23620E-02 ppm1      1.467 ppm2      0.907 CV     1
 OR {  666}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 13   and name HD11))
 ASSI {  667}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 17   and name HG21))
      2.300     0.700     0.700 peak   667 weight  0.10000E+01 volume  0.30827E-02 ppm1      1.465 ppm2      0.870 CV     1
 OR {  667}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  668}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 17   and name HG21))
      2.500     0.800     0.800 peak   668 weight  0.10000E+01 volume  0.21619E-02 ppm1      1.392 ppm2      0.862 CV     1
 OR {  668}
   (( segid "A   " and resid 8    and name HG2 ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  668}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  679}
   (( segid "B   " and resid 12   and name HD2 ))
   (( segid "B   " and resid 17   and name HG21))
      3.500     1.600     1.600 peak   679 weight  0.10000E+01 volume  0.14213E-02 ppm1      1.694 ppm2      0.869 CV     1
 OR {  679}
   (( segid "A   " and resid 8    and name HD2 ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  679}
   (( segid "A   " and resid 11   and name HG1 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  679}
   (( segid "A   " and resid 9    and name HB2 ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  679}
   (( segid "A   " and resid 3    and name HB2 ))
   (( segid "B   " and resid 17   and name HD11))
 OR {  679}
   (( segid "A   " and resid 9    and name HB2 ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  679}
   (( segid "B   " and resid 12   and name HD2 ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  679}
   (( segid "A   " and resid 3    and name HB2 ))
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  680}
   (( segid "A   " and resid 8    and name HD2 ))
   (  segid "A   " and resid 4    and name HG2%)
      3.400     1.500     1.500 peak   680 weight  0.10000E+01 volume  0.13212E-02 ppm1      1.698 ppm2      0.912 CV     1
 OR {  680}
   (( segid "B   " and resid 12   and name HD2 ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  680}
   (( segid "B   " and resid 12   and name HD2 ))
   (  segid "A   " and resid 4    and name HG2%)
 OR {  680}
   (( segid "A   " and resid 3    and name HB2 ))
   (  segid "A   " and resid 4    and name HG2%)
 ASSI {  681}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 15   and name HG21))
      3.600     1.600     1.600 peak   681 weight  0.10000E+01 volume  0.68060E-03 ppm1      1.823 ppm2      0.898 CV     1
 OR {  681}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  681}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  682}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 15   and name HG21))
      3.400     1.400     1.400 peak   682 weight  0.10000E+01 volume  0.13011E-02 ppm1      1.804 ppm2      0.944 CV     1
 OR {  682}
   (( segid "A   " and resid 8    and name HB1 ))
   (  segid "A   " and resid 4    and name HG1%)
 ASSI {  683}
   (( segid "B   " and resid 12   and name HB2 ))
   (  segid "A   " and resid 4    and name HG1%)
      2.500     0.800     0.800 peak   683 weight  0.10000E+01 volume  0.19617E-02 ppm1      1.911 ppm2      0.976 CV     1
 OR {  683}
   (( segid "A   " and resid 1    and name HB2 ))
   (  segid "A   " and resid 4    and name HG2%)
 ASSI {  688}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 16   and name HG21))
      3.000     3.000     3.000 peak   688 weight  0.10000E+01 volume  0.26623E-02 ppm1      1.396 ppm2      1.161 CV     1
 OR {  688}
   (( segid "A   " and resid 8    and name HG2 ))
   (  segid "B   " and resid 15   and name HG1%)
 OR {  688}
   (( segid "B   " and resid 12   and name HG2 ))
   (  segid "B   " and resid 17   and name HG1%)
 ASSI {  692}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 3    and name HG2 ))
      4.100     2.100     1.900 peak   692 weight  0.10000E+01 volume  0.10609E-02 ppm1      1.399 ppm2      1.059 CV     1
 OR {  692}
   (( segid "A   " and resid 8    and name HG2 ))
   (( segid "A   " and resid 3    and name HG2 ))
 ASSI {  694}
   (( segid "A   " and resid 8    and name HG2 ))
   (  segid "B   " and resid 15   and name HG1%)
      3.900     1.900     1.900 peak   694 weight  0.10000E+01 volume  0.96084E-03 ppm1      1.310 ppm2      1.174 CV     1
 OR {  694}
   (( segid "A   " and resid 8    and name HG2 ))
   (( segid "B   " and resid 16   and name HG21))
 ASSI {  698}
   (( segid "B   " and resid 20   and name HG2 ))
   (  segid "B   " and resid 17   and name HG1%)
      3.500     1.600     1.600 peak   698 weight  0.10000E+01 volume  0.13812E-02 ppm1      1.632 ppm2      1.154 CV     1
 OR {  698}
   (( segid "B   " and resid 13   and name HG  ))
   (  segid "B   " and resid 17   and name HG1%)
 OR {  698}
   (( segid "B   " and resid 14   and name HG  ))
   (  segid "B   " and resid 15   and name HG1%)
 OR {  698}
   (( segid "A   " and resid 8    and name HD2 ))
   (( segid "B   " and resid 16   and name HG21))
 OR {  698}
   (( segid "B   " and resid 13   and name HB2 ))
   (  segid "B   " and resid 17   and name HG1%)
 ASSI {  699}
   (( segid "B   " and resid 34   and name HB2 ))
   (( segid "B   " and resid 34   and name HG1 ))
      2.500     0.800     0.800 peak   699 weight  0.10000E+01 volume  0.41236E-02 ppm1      1.734 ppm2      1.308 CV     1
 OR {  699}
   (( segid "A   " and resid 9    and name HB2 ))
   (( segid "A   " and resid 8    and name HG2 ))
 ASSI {  700}
   (( segid "B   " and resid 34   and name HB2 ))
   (( segid "B   " and resid 34   and name HG1 ))
      2.700     0.900     0.900 peak   700 weight  0.10000E+01 volume  0.35030E-02 ppm1      1.686 ppm2      1.356 CV     1
 OR {  700}
   (( segid "B   " and resid 21   and name HD1 ))
   (( segid "B   " and resid 21   and name HG2 ))
 OR {  700}
   (( segid "A   " and resid 8    and name HD2 ))
   (( segid "A   " and resid 8    and name HG2 ))
 ASSI {  701}
   (( segid "B   " and resid 34   and name HD2 ))
   (( segid "B   " and resid 34   and name HG1 ))
      2.400     0.700     0.700 peak   701 weight  0.10000E+01 volume  0.55449E-02 ppm1      1.641 ppm2      1.307 CV     1
 OR {  701}
   (( segid "A   " and resid 8    and name HD2 ))
   (( segid "A   " and resid 8    and name HG2 ))
 OR {  701}
   (( segid "A   " and resid 9    and name HG2 ))
   (( segid "A   " and resid 8    and name HG2 ))
 ASSI {  702}
   (( segid "B   " and resid 32   and name HB1 ))
   (( segid "B   " and resid 34   and name HG1 ))
      4.000     2.000     2.000 peak   702 weight  0.10000E+01 volume  0.90079E-03 ppm1      1.825 ppm2      1.294 CV     1
 OR {  702}
   (( segid "B   " and resid 30   and name HB2 ))
   (( segid "B   " and resid 34   and name HG1 ))
 ASSI {  705}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 8    and name HD2 ))
      2.200     0.600     0.600 peak   705 weight  0.10000E+01 volume  0.12891E-01 ppm1      1.839 ppm2      1.647 CV     1
 OR {  705}
   (( segid "A   " and resid 11   and name HB1 ))
   (( segid "A   " and resid 11   and name HG1 ))
 OR {  705}
   (( segid "A   " and resid 9    and name HB1 ))
   (( segid "A   " and resid 9    and name HG2 ))
 OR {  705}
   (( segid "B   " and resid 21   and name HB1 ))
   (( segid "B   " and resid 21   and name HD1 ))
 OR {  705}
   (( segid "B   " and resid 32   and name HB1 ))
   (( segid "B   " and resid 32   and name HG2 ))
 ASSI {  706}
   (( segid "B   " and resid 32   and name HB1 ))
   (( segid "B   " and resid 33   and name HB1 ))
      4.300     2.300     1.700 peak   706 weight  0.10000E+01 volume  0.68060E-03 ppm1      1.810 ppm2      1.465 CV     1
 OR {  706}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "B   " and resid 12   and name HG2 ))
 OR {  706}
   (( segid "B   " and resid 32   and name HB2 ))
   (( segid "B   " and resid 33   and name HB1 ))
 OR {  706}
   (( segid "B   " and resid 30   and name HB2 ))
   (( segid "B   " and resid 33   and name HB1 ))
 ASSI {  707}
   (( segid "B   " and resid 32   and name HB2 ))
   (( segid "B   " and resid 32   and name HG2 ))
      2.100     0.500     0.500 peak   707 weight  0.10000E+01 volume  0.15614E-01 ppm1      1.756 ppm2      1.631 CV     1
 OR {  707}
   (( segid "A   " and resid 9    and name HB2 ))
   (( segid "A   " and resid 9    and name HG2 ))
 OR {  707}
   (( segid "B   " and resid 34   and name HB2 ))
   (( segid "B   " and resid 34   and name HD2 ))
 OR {  707}
   (( segid "B   " and resid 25   and name HB2 ))
   (( segid "B   " and resid 25   and name HD1 ))
 ASSI {  709}
   (( segid "B   " and resid 13   and name HB2 ))
   (( segid "B   " and resid 12   and name HG2 ))
      3.000     1.100     1.100 peak   709 weight  0.10000E+01 volume  0.28625E-02 ppm1      1.558 ppm2      1.413 CV     1
 OR {  709}
   (( segid "B   " and resid 13   and name HG  ))
   (( segid "B   " and resid 12   and name HG2 ))
 OR {  709}
   (( segid "B   " and resid 30   and name HG1 ))
   (( segid "B   " and resid 31   and name HB1 ))
 ASSI {  710}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 24   and name HB1 ))
      3.500     1.500     1.500 peak   710 weight  0.10000E+01 volume  0.16615E-02 ppm1      2.364 ppm2      1.438 CV     1
 OR {  710}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 24   and name HB1 ))
 ASSI {  712}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 31   and name HB1 ))
      4.300     2.300     1.700 peak   712 weight  0.10000E+01 volume  0.66059E-03 ppm1      2.357 ppm2      1.399 CV     1
 OR {  712}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 24   and name HB1 ))
 ASSI {  714}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 34   and name HG1 ))
      4.200     2.200     1.800 peak   714 weight  0.10000E+01 volume  0.84075E-03 ppm1      2.413 ppm2      1.314 CV     1
 OR {  714}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "A   " and resid 8    and name HG2 ))
 ASSI {  725}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 34   and name HB2 ))
      3.500     1.500     1.500 peak   725 weight  0.10000E+01 volume  0.90079E-03 ppm1      2.277 ppm2      1.713 CV     1
 OR {  725}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 30   and name HB1 ))
 ASSI {  726}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.600     1.600     1.600 peak   726 weight  0.10000E+01 volume  0.10810E-02 ppm1      2.283 ppm2      1.729 CV     1
 OR {  726}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HB1 ))
 ASSI {  727}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.700     1.700     1.700 peak   727 weight  0.10000E+01 volume  0.11010E-02 ppm1      2.285 ppm2      1.766 CV     1
 OR {  727}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HB1 ))
 OR {  727}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  727}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 ASSI {  728}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.800     1.800     1.800 peak   728 weight  0.10000E+01 volume  0.12811E-02 ppm1      2.357 ppm2      1.770 CV     1
 OR {  728}
   (( segid "B   " and resid 27   and name HG1 ))
   (( 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 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 ASSI {  729}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.900     1.900     1.900 peak   729 weight  0.10000E+01 volume  0.10609E-02 ppm1      2.359 ppm2      1.725 CV     1
 OR {  729}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 32   and name HB2 ))
 OR {  729}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HB1 ))
 ASSI {  733}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.900     1.900     1.900 peak   733 weight  0.10000E+01 volume  0.10609E-02 ppm1      2.403 ppm2      1.813 CV     1
 OR {  733}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 32   and name HB2 ))
 OR {  733}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HB1 ))
 OR {  733}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 32   and name HB1 ))
 ASSI {  734}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HB1 ))
      4.400     2.400     1.600 peak   734 weight  0.10000E+01 volume  0.74066E-03 ppm1      2.371 ppm2      1.822 CV     1
 OR {  734}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "A   " and resid 8    and name HB1 ))
 OR {  734}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  734}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 32   and name HB1 ))
 ASSI {  735}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 32   and name HB1 ))
      3.800     1.800     1.800 peak   735 weight  0.10000E+01 volume  0.10009E-02 ppm1      2.277 ppm2      1.825 CV     1
 OR {  735}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 ASSI {  738}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 28   and name HB2 ))
      3.000     1.100     1.100 peak   738 weight  0.10000E+01 volume  0.24020E-02 ppm1      2.366 ppm2      2.102 CV     1
 OR {  738}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 29   and name HB2 ))
 ASSI {  739}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 27   and name HB2 ))
      2.600     0.800     0.800 peak   739 weight  0.10000E+01 volume  0.33228E-02 ppm1      2.363 ppm2      2.068 CV     1
 OR {  739}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 28   and name HB2 ))
 OR {  739}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 29   and name HB2 ))
 OR {  739}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "A   " and resid 1    and name HE1 ))
 ASSI {  740}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 27   and name HB2 ))
      2.800     1.000     1.000 peak   740 weight  0.10000E+01 volume  0.15614E-02 ppm1      2.356 ppm2      2.037 CV     1
 OR {  740}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 29   and name HB2 ))
 ASSI {  742}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 27   and name HB1 ))
      2.900     1.000     1.000 peak   742 weight  0.10000E+01 volume  0.26222E-02 ppm1      2.280 ppm2      1.948 CV     1
 OR {  742}
   (( segid "B   " and resid 22   and name HG1 ))
   (( segid "B   " and resid 22   and name HB1 ))
 ASSI {  744}
   (( segid "B   " and resid 22   and name HG2 ))
   (( segid "B   " and resid 22   and name HB1 ))
      3.300     1.300     1.300 peak   744 weight  0.10000E+01 volume  0.14012E-02 ppm1      2.208 ppm2      1.934 CV     1
 OR {  744}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 27   and name HB1 ))
 OR {  744}
   (( segid "B   " and resid 22   and name HG1 ))
   (( segid "B   " and resid 22   and name HB1 ))
 ASSI {  745}
   (( segid "B   " and resid 22   and name HG2 ))
   (( segid "B   " and resid 22   and name HB1 ))
      3.400     1.500     1.500 peak   745 weight  0.10000E+01 volume  0.96084E-03 ppm1      2.209 ppm2      2.006 CV     1
 OR {  745}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 27   and name HB2 ))
 OR {  745}
   (( segid "B   " and resid 22   and name HG1 ))
   (( segid "B   " and resid 22   and name HB1 ))
 ASSI {  758}
   (( segid "A   " and resid 10   and name HB1 ))
   (( segid "A   " and resid 11   and name HG1 ))
      4.600     2.600     1.400 peak   758 weight  0.10000E+01 volume  0.72063E-03 ppm1      2.762 ppm2      1.673 CV     1
 OR {  758}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 20   and name HG2 ))
 ASSI {  759}
   (( segid "A   " and resid 10   and name HB1 ))
   (( segid "A   " and resid 11   and name HG1 ))
      4.300     2.300     1.700 peak   759 weight  0.10000E+01 volume  0.60052E-03 ppm1      2.782 ppm2      1.645 CV     1
 OR {  759}
   (( segid "A   " and resid 10   and name HB1 ))
   (( segid "A   " and resid 9    and name HG2 ))
 OR {  759}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 20   and name HG2 ))
 ASSI {  766}
   (( segid "A   " and resid 10   and name HB1 ))
   (( segid "A   " and resid 11   and name HB1 ))
      4.500     2.600     1.500 peak   766 weight  0.10000E+01 volume  0.68060E-03 ppm1      2.724 ppm2      1.824 CV     1
 OR {  766}
   (( segid "B   " and resid 19   and name HB1 ))
   (( segid "B   " and resid 15   and name HB  ))
 OR {  766}
   (( segid "A   " and resid 10   and name HB1 ))
   (( segid "A   " and resid 9    and name HB1 ))
 ASSI {  768}
   (( segid "A   " and resid 10   and name HB2 ))
   (( segid "A   " and resid 9    and name HG2 ))
      4.400     2.400     1.600 peak   768 weight  0.10000E+01 volume  0.78068E-03 ppm1      2.841 ppm2      1.626 CV     1
 OR {  768}
   (( segid "A   " and resid 3    and name HE1 ))
   (( segid "B   " and resid 13   and name HG  ))
 OR {  768}
   (( segid "A   " and resid 10   and name HB2 ))
   (( segid "A   " and resid 11   and name HG1 ))
 ASSI {  774}
   (( segid "A   " and resid 3    and name HE1 ))
   (( segid "B   " and resid 12   and name HG2 ))
      4.200     2.200     1.800 peak   774 weight  0.10000E+01 volume  0.74066E-03 ppm1      2.883 ppm2      1.387 CV     1
 OR {  774}
   (( segid "A   " and resid 10   and name HB2 ))
   (( segid "A   " and resid 8    and name HG2 ))
 ASSI {  777}
   (( segid "B   " and resid 20   and name HD2 ))
   (  segid "B   " and resid 17   and name HG1%)
      3.700     1.700     1.700 peak   777 weight  0.10000E+01 volume  0.76067E-03 ppm1      3.208 ppm2      1.202 CV     1
 OR {  777}
   (( segid "B   " and resid 18   and name HB1 ))
   (  segid "B   " and resid 17   and name HG1%)
 ASSI {  792}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 19   and name HB1 ))
      3.900     1.900     1.900 peak   792 weight  0.10000E+01 volume  0.72063E-03 ppm1      4.234 ppm2      2.702 CV     1
 OR {  792}
   (( segid "B   " and resid 24   and name HA  ))
   (( segid "B   " and resid 19   and name HB1 ))
 OR {  792}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "B   " and resid 19   and name HB1 ))
 ASSI {  804}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 22   and name HG2 ))
      4.000     2.000     2.000 peak   804 weight  0.10000E+01 volume  0.68060E-03 ppm1      7.273 ppm2      2.210 CV     1
 OR {  804}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 27   and name HG2 ))
 OR {  804}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 22   and name HG1 ))
 ASSI {  805}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 22   and name HG1 ))
      4.400     2.400     1.600 peak   805 weight  0.10000E+01 volume  0.62055E-03 ppm1      7.327 ppm2      2.220 CV     1
 OR {  805}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HG2 ))
 ASSI {  808}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 12   and name HG2 ))
      3.100     1.200     1.200 peak   808 weight  0.10000E+01 volume  0.88078E-03 ppm1      4.448 ppm2      1.469 CV     1
 OR {  808}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  810}
   (( segid "B   " and resid 36   and name HB2 ))
   (( segid "B   " and resid 32   and name HG2 ))
      2.500     2.500     3.500 peak   810 weight  0.10000E+01 volume  0.60052E-03 ppm1      2.529 ppm2      1.638 CV     1
 OR {  810}
   (( segid "B   " and resid 36   and name HB2 ))
   (( segid "B   " and resid 34   and name HD2 ))
 ASSI {  812}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 8    and name HG2 ))
      4.100     2.100     1.900 peak   812 weight  0.10000E+01 volume  0.11410E-02 ppm1      2.091 ppm2      1.316 CV     1
 OR {  812}
   (( segid "A   " and resid 1    and name HE1 ))
   (( segid "A   " and resid 8    and name HG2 ))
 ASSI {  813}
   (( segid "B   " and resid 27   and name HB2 ))
   (( segid "B   " and resid 24   and name HB1 ))
      4.100     2.100     1.900 peak   813 weight  0.10000E+01 volume  0.84075E-03 ppm1      1.996 ppm2      1.396 CV     1
 OR {  813}
   (( segid "B   " and resid 27   and name HB2 ))
   (( segid "B   " and resid 31   and name HB1 ))
 ASSI {  817}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 8    and name HD2 ))
      3.700     1.700     1.700 peak   817 weight  0.10000E+01 volume  0.20218E-02 ppm1      2.084 ppm2      1.666 CV     1
 OR {  817}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "B   " and resid 12   and name HD2 ))
 OR {  817}
   (( segid "A   " and resid 1    and name HE1 ))
   (( segid "A   " and resid 3    and name HB2 ))
 OR {  817}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 3    and name HB2 ))
 ASSI {  818}
   (( segid "A   " and resid 1    and name HE1 ))
   (( segid "A   " and resid 1    and name HB2 ))
      2.000     0.500     0.500 peak   818 weight  0.10000E+01 volume  0.14213E-02 ppm1      2.086 ppm2      1.886 CV     1
 OR {  818}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "B   " and resid 12   and name HB2 ))
 ASSI {  819}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 8    and name HB1 ))
      3.500     1.500     1.500 peak   819 weight  0.10000E+01 volume  0.11410E-02 ppm1      2.095 ppm2      1.827 CV     1
 OR {  819}
   (( segid "B   " and resid 29   and name HB2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 ASSI {  820}
   (( segid "B   " and resid 29   and name HB2 ))
   (( segid "B   " and resid 30   and name HB1 ))
      3.500     1.500     1.500 peak   820 weight  0.10000E+01 volume  0.14213E-02 ppm1      2.085 ppm2      1.748 CV     1
 OR {  820}
   (( segid "B   " and resid 29   and name HB2 ))
   (( segid "B   " and resid 30   and name HB2 ))
 OR {  820}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "B   " and resid 12   and name HD2 ))
 OR {  820}
   (( segid "B   " and resid 28   and name HB2 ))
   (( segid "B   " and resid 32   and name HB2 ))
 ASSI {  826}
   (( segid "B   " and resid 17   and name HD11))
   (( segid "B   " and resid 17   and name HG21))
      3.000     1.200     1.200 peak   826 weight  0.10000E+01 volume  0.37833E-02 ppm1      0.903 ppm2      0.809 CV     1
 OR {  826}
   (( segid "B   " and resid 13   and name HD11))
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  827}
   (( segid "B   " and resid 20   and name HG2 ))
   (  segid "B   " and resid 17   and name HG1%)
      3.300     1.300     1.300 peak   827 weight  0.10000E+01 volume  0.12411E-02 ppm1      1.693 ppm2      1.205 CV     1
 OR {  827}
   (( segid "A   " and resid 9    and name HB2 ))
   (  segid "B   " and resid 15   and name HG1%)
 OR {  827}
   (( segid "A   " and resid 8    and name HD2 ))
   (  segid "B   " and resid 15   and name HG1%)
 ASSI {  830}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 1    and name HB2 ))
      3.700     1.700     1.700 peak   830 weight  0.10000E+01 volume  0.12011E-02 ppm1      2.109 ppm2      1.953 CV     1
 OR {  830}
   (( segid "B   " and resid 28   and name HB2 ))
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {  832}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 12   and name HD2 ))
      1.800     0.400     0.400 peak   832 weight  0.10000E+01 volume  0.32629E-01 ppm1      2.996 ppm2      1.689 CV     1
 OR {  832}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 8    and name HD2 ))
 OR {  832}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 3    and name HB2 ))
 ASSI {  833}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 27   and name HB2 ))
      4.300     2.300     1.700 peak   833 weight  0.10000E+01 volume  0.66059E-03 ppm1      4.567 ppm2      1.999 CV     1
 OR {  833}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 22   and name HB1 ))
 OR {  833}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 22   and name HB1 ))
 ASSI {  834}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 22   and name HB1 ))
      4.400     2.400     1.600 peak   834 weight  0.10000E+01 volume  0.64056E-03 ppm1      4.560 ppm2      1.967 CV     1
 OR {  834}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 22   and name HB1 ))
 OR {  834}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 27   and name HB1 ))
 OR {  834}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 27   and name HB1 ))
 ASSI {  835}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "A   " and resid 4    and name HB  ))
      4.200     2.200     1.800 peak   835 weight  0.10000E+01 volume  0.80071E-03 ppm1      4.430 ppm2      2.050 CV     1
 OR {  835}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "A   " and resid 4    and name HB  ))
 ASSI {  841}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 3    and name HG2 ))
      3.900     1.900     1.900 peak   841 weight  0.10000E+01 volume  0.78068E-03 ppm1      2.085 ppm2      1.038 CV     1
 OR {  841}
   (( segid "A   " and resid 1    and name HE1 ))
   (( segid "A   " and resid 3    and name HG2 ))
 ASSI {  842}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 8    and name HG2 ))
      4.000     2.000     2.000 peak   842 weight  0.10000E+01 volume  0.11210E-02 ppm1      2.088 ppm2      1.363 CV     1
 OR {  842}
   (( segid "B   " and resid 29   and name HB2 ))
   (( segid "B   " and resid 31   and name HB1 ))
 OR {  842}
   (( segid "A   " and resid 1    and name HE1 ))
   (( segid "A   " and resid 8    and name HG2 ))
 ASSI {  844}
   (( segid "A   " and resid 1    and name HE1 ))
   (( segid "A   " and resid 3    and name HD1 ))
      4.600     2.700     1.400 peak   844 weight  0.10000E+01 volume  0.11210E-02 ppm1      2.079 ppm2      1.540 CV     1
 OR {  844}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "A   " and resid 3    and name HD1 ))
 OR {  844}
   (( segid "B   " and resid 29   and name HB2 ))
   (( segid "B   " and resid 30   and name HG1 ))
 ASSI {  846}
   (( segid "B   " and resid 22   and name HG2 ))
   (( segid "B   " and resid 21   and name HB1 ))
      2.900     1.000     1.000 peak   846 weight  0.10000E+01 volume  0.70062E-03 ppm1      2.196 ppm2      1.818 CV     1
 OR {  846}
   (( segid "B   " and resid 22   and name HG1 ))
   (( segid "B   " and resid 21   and name HB1 ))
 OR {  846}
   (( segid "B   " and resid 22   and name HG1 ))
   (( segid "B   " and resid 25   and name HB2 ))
 OR {  846}
   (( segid "B   " and resid 22   and name HG1 ))
   (( segid "B   " and resid 32   and name HB2 ))
 OR {  846}
   (( segid "B   " and resid 22   and name HG2 ))
   (( segid "B   " and resid 25   and name HB2 ))
 ASSI {  847}
   (( segid "B   " and resid 22   and name HG2 ))
   (( segid "B   " and resid 21   and name HD1 ))
      2.500     2.500     3.500 peak   847 weight  0.10000E+01 volume  0.70062E-03 ppm1      2.183 ppm2      1.714 CV     1
 OR {  847}
   (( segid "B   " and resid 22   and name HG1 ))
   (( segid "B   " and resid 21   and name HD1 ))
 OR {  847}
   (( segid "B   " and resid 22   and name HG1 ))
   (( segid "B   " and resid 20   and name HG2 ))
 ASSI {  848}
   (( segid "B   " and resid 21   and name HB1 ))
   (( segid "B   " and resid 21   and name HG2 ))
      2.500     0.800     0.800 peak   848 weight  0.10000E+01 volume  0.90680E-02 ppm1      1.797 ppm2      1.348 CV     1
 OR {  848}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 8    and name HG2 ))
 OR {  848}
   (( segid "A   " and resid 9    and name HB1 ))
   (( segid "A   " and resid 8    and name HG2 ))
 ASSI {  849}
   (( segid "B   " and resid 25   and name HB2 ))
   (( segid "B   " and resid 25   and name HG1 ))
      2.400     0.700     0.700 peak   849 weight  0.10000E+01 volume  0.95684E-02 ppm1      1.801 ppm2      1.395 CV     1
 OR {  849}
   (( segid "B   " and resid 21   and name HB1 ))
   (( segid "B   " and resid 21   and name HG2 ))
 OR {  849}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 8    and name HG2 ))
 ASSI {  852}
   (( segid "A   " and resid 3    and name HB2 ))
   (( segid "B   " and resid 16   and name HG21))
      3.900     1.900     1.900 peak   852 weight  0.10000E+01 volume  0.10409E-02 ppm1      1.722 ppm2      1.157 CV     1
 OR {  852}
   (( segid "B   " and resid 12   and name HD2 ))
   (( segid "B   " and resid 16   and name HG21))
 OR {  852}
   (( segid "A   " and resid 9    and name HB2 ))
   (  segid "B   " and resid 15   and name HG1%)
 OR {  852}
   (( segid "A   " and resid 3    and name HB2 ))
   (  segid "B   " and resid 17   and name HG1%)
 ASSI {  853}
   (( segid "B   " and resid 13   and name HG  ))
   (  segid "B   " and resid 17   and name HG1%)
      3.700     1.700     1.700 peak   853 weight  0.10000E+01 volume  0.16214E-02 ppm1      1.568 ppm2      1.146 CV     1
 OR {  853}
   (( segid "A   " and resid 3    and name HD1 ))
   (( segid "B   " and resid 16   and name HG21))
 OR {  853}
   (( segid "A   " and resid 3    and name HD1 ))
   (  segid "B   " and resid 17   and name HG1%)
 ASSI {  855}
   (( segid "A   " and resid 11   and name HB1 ))
   (( segid "A   " and resid 3    and name HG2 ))
      4.000     2.000     2.000 peak   855 weight  0.10000E+01 volume  0.78068E-03 ppm1      1.802 ppm2      1.091 CV     1
 OR {  855}
   (( segid "A   " and resid 8    and name HB1 ))
   (( segid "A   " and resid 3    and name HG2 ))
 ASSI {  857}
   (( segid "A   " and resid 3    and name HG2 ))
   (( segid "B   " and resid 17   and name HD11))
      4.200     2.200     1.800 peak   857 weight  0.10000E+01 volume  0.88078E-03 ppm1      1.086 ppm2      0.908 CV     1
 OR {  857}
   (( segid "A   " and resid 3    and name HG2 ))
   (  segid "A   " and resid 4    and name HG2%)
 ASSI {  864}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 12   and name HD2 ))
      4.100     2.100     1.900 peak   864 weight  0.10000E+01 volume  0.72063E-03 ppm1      4.469 ppm2      1.699 CV     1
 OR {  864}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 9    and name HB2 ))
 OR {  864}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 8    and name HD2 ))
 ASSI {  865}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 31   and name HB1 ))
      3.500     1.600     1.600 peak   865 weight  0.10000E+01 volume  0.58051E-03 ppm1      4.157 ppm2      1.339 CV     1
 OR {  865}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 34   and name HG1 ))
 OR {  865}
   (( segid "B   " and resid 27   and name HA  ))
   (( segid "B   " and resid 31   and name HB1 ))
 OR {  865}
   (( segid "B   " and resid 34   and name HA  ))
   (( segid "B   " and resid 34   and name HG1 ))
 ASSI {  866}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 21   and name HA  ))
      3.800     1.800     1.800 peak   866 weight  0.10000E+01 volume  0.13412E-02 ppm1      4.710 ppm2      4.224 CV     1
 OR {  866}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 9    and name HA  ))
 OR {  866}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 34   and name HA  ))
 OR {  866}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 32   and name HA  ))
 OR {  866}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 33   and name HA  ))
 ASSI {   25}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HA  ))
      2.400     0.700     0.700 peak    25 weight  0.10000E+01 volume  0.56352E-02 ppm1      8.276 ppm2      4.278 CV     1
 ASSI {   34}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 22   and name HA  ))
      2.800     1.000     1.000 peak    34 weight  0.10000E+01 volume  0.80555E-02 ppm1      8.085 ppm2      4.214 CV     1
 ASSI {   37}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 30   and name HA  ))
      2.500     0.800     0.800 peak    37 weight  0.10000E+01 volume  0.68273E-02 ppm1      8.016 ppm2      4.175 CV     1
 ASSI {   46}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 20   and name HA  ))
      2.700     0.900     0.900 peak    46 weight  0.10000E+01 volume  0.55991E-02 ppm1      7.990 ppm2      4.245 CV     1
 ASSI {   52}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 23   and name HB2 ))
      3.800     1.800     1.800 peak    52 weight  0.10000E+01 volume  0.22036E-02 ppm1      8.191 ppm2      3.082 CV     1
 ASSI {   55}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 26   and name HB1 ))
      2.800     1.000     1.000 peak    55 weight  0.10000E+01 volume  0.43348E-02 ppm1      8.075 ppm2      3.175 CV     1
 ASSI {   86}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
      2.500     0.800     0.800 peak    86 weight  0.10000E+01 volume  0.29621E-02 ppm1      8.001 ppm2      1.844 CV     1
 ASSI {  106}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 25   and name HG1 ))
      2.200     0.600     0.600 peak   106 weight  0.10000E+01 volume  0.49851E-02 ppm1      8.061 ppm2      1.413 CV     1
 ASSI {  109}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 32   and name HB1 ))
      3.100     1.200     1.200 peak   109 weight  0.10000E+01 volume  0.40819E-02 ppm1      8.018 ppm2      1.749 CV     1
 ASSI {  113}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 9    and name HB1 ))
      3.600     1.700     1.700 peak   113 weight  0.10000E+01 volume  0.21675E-02 ppm1      7.998 ppm2      1.810 CV     1
 ASSI {  117}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 33   and name HB3 ))
      2.200     0.600     0.600 peak   117 weight  0.10000E+01 volume  0.12571E-01 ppm1      8.006 ppm2      1.294 CV     1
 OR {  117}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 33   and name HB1 ))
 OR {  117}
   (( segid "B   " and resid 33   and name HN  ))
   (( segid "B   " and resid 33   and name HB2 ))
 ASSI {  144}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 31   and name HB2 ))
      3.100     3.100     2.900 peak   144 weight  0.10000E+01 volume  0.28898E-02 ppm1      7.245 ppm2      1.374 CV     1
 OR {  144}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 31   and name HB1 ))
 ASSI {  156}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 27   and name HG2 ))
      3.700     1.800     1.800 peak   156 weight  0.10000E+01 volume  0.23120E-02 ppm1      7.246 ppm2      2.258 CV     1
 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  0.45153E-02 ppm1      8.126 ppm2      7.991 CV     1
 ASSI {  211}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 33   and name HN  ))
      2.300     0.700     0.700 peak   211 weight  0.10000E+01 volume  0.64300E-02 ppm1      7.944 ppm2      8.012 CV     1
 ASSI {  217}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 29   and name HN  ))
      2.500     0.800     0.800 peak   217 weight  0.10000E+01 volume  0.33955E-02 ppm1      8.063 ppm2      8.221 CV     1
 ASSI {  335}
   (( segid "A   " and resid 3    and name HG2 ))
   (( segid "B   " and resid 17   and name HB  ))
      3.800     1.800     1.800 peak   335 weight  0.10000E+01 volume  0.90307E-03 ppm1      1.051 ppm2      1.800 CV     1
 ASSI {  347}
   (( segid "B   " and resid 15   and name HG22))
   (( segid "B   " and resid 12   and name HE2 ))
      2.400     2.400     3.600 peak   347 weight  0.10000E+01 volume  0.93921E-03 ppm1      0.834 ppm2      2.971 CV     1
 OR {  347}
   (( segid "B   " and resid 15   and name HG23))
   (( segid "B   " and resid 12   and name HE2 ))
 OR {  347}
   (( segid "B   " and resid 15   and name HG21))
   (( segid "B   " and resid 12   and name HE2 ))
 ASSI {  361}
   (( segid "B   " and resid 17   and name HG23))
   (( segid "B   " and resid 19   and name HB2 ))
      4.400     2.400     1.600 peak   361 weight  0.10000E+01 volume  0.11198E-02 ppm1      0.809 ppm2      2.768 CV     1
 OR {  361}
   (( segid "B   " and resid 17   and name HG21))
   (( segid "B   " and resid 19   and name HB2 ))
 OR {  361}
   (( segid "B   " and resid 17   and name HG22))
   (( segid "B   " and resid 19   and name HB2 ))
 ASSI {  399}
   (( segid "B   " and resid 21   and name HD1 ))
   (( segid "B   " and resid 22   and name HB2 ))
      4.400     2.400     1.600 peak   399 weight  0.10000E+01 volume  0.11198E-02 ppm1      1.679 ppm2      1.974 CV     1
 ASSI {  402}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 23   and name HB1 ))
      3.200     1.300     1.300 peak   402 weight  0.10000E+01 volume  0.14088E-02 ppm1      2.369 ppm2      3.166 CV     1
 ASSI {  420}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HG2 ))
      4.100     2.100     1.900 peak   420 weight  0.10000E+01 volume  0.13727E-02 ppm1      7.344 ppm2      2.249 CV     1
 ASSI {  433}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 27   and name HG1 ))
      4.800     2.900     1.200 peak   433 weight  0.10000E+01 volume  0.11559E-02 ppm1      8.060 ppm2      2.386 CV     1
 ASSI {  478}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 21   and name HB1 ))
      3.900     1.900     1.900 peak   478 weight  0.10000E+01 volume  0.97533E-03 ppm1      8.500 ppm2      1.811 CV     1
 ASSI {  500}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 3    and name HG2 ))
      2.900     1.100     1.100 peak   500 weight  0.10000E+01 volume  0.79472E-03 ppm1      7.798 ppm2      1.063 CV     1
 ASSI {  507}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 14   and name HG  ))
      3.100     1.200     1.200 peak   507 weight  0.10000E+01 volume  0.17700E-02 ppm1      7.900 ppm2      1.603 CV     1
 OR {  507}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 14   and name HB2 ))
 ASSI {  524}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 13   and name HA  ))
      3.600     1.600     1.600 peak   524 weight  0.10000E+01 volume  0.90307E-03 ppm1      8.012 ppm2      4.406 CV     1
 ASSI {  153}
   (( segid "A   " and resid 2    and name HD1 ))
   (( segid "A   " and resid 1    and name HB2 ))
      3.400     3.400     2.600 peak   153 weight  0.10000E+01 volume  0.25287E-02 ppm1      7.245 ppm2      1.906 CV     1
 ASSI {   43}
   (( segid "A   " and resid 2    and name HN  ))
   (( segid "A   " and resid 1    and name HA  ))
      2.700     0.900     0.900 peak    43 weight  0.10000E+01 volume  0.38652E-02 ppm1      7.830 ppm2      4.222 CV     1
 ASSI {  431}
   (( segid "A   " and resid 2    and name HN  ))
   (( segid "A   " and resid 1    and name HB2 ))
      2.000     0.500     0.500 peak   431 weight  0.10000E+01 volume  0.10114E-02 ppm1      7.831 ppm2      1.900 CV     1
 ASSI {  202}
   (( segid "A   " and resid 1    and name HT1 ))
   (( segid "A   " and resid 2    and name HN  ))
      3.500     1.500     1.500 peak   202 weight  0.10000E+01 volume  0.24925E-02 ppm1      8.204 ppm2      7.827 CV     1
 ASSI {  313}
   (( segid "A   " and resid 2    and name HD1 ))
   (( segid "A   " and resid 2    and name HA  ))
      3.400     1.500     1.500 peak   313 weight  0.10000E+01 volume  0.23481E-02 ppm1      7.245 ppm2      4.627 CV     1
 ASSI {  165}
   (( segid "A   " and resid 2    and name HD1 ))
   (( segid "A   " and resid 2    and name HB2 ))
      2.600     2.600     3.400 peak   165 weight  0.10000E+01 volume  0.14124E-01 ppm1      7.246 ppm2      3.281 CV     1
 ASSI {  231}
   (( segid "A   " and resid 2    and name HE1 ))
   (( segid "A   " and resid 2    and name HD1 ))
      2.600     0.800     0.800 peak   231 weight  0.10000E+01 volume  0.70440E-02 ppm1     10.175 ppm2      7.243 CV     1
 ASSI {   17}
   (( segid "A   " and resid 2    and name HN  ))
   (( segid "A   " and resid 2    and name HA  ))
      2.400     0.700     0.700 peak    17 weight  0.10000E+01 volume  0.44070E-02 ppm1      7.824 ppm2      4.620 CV     1
 ASSI {   65}
   (( segid "A   " and resid 2    and name HN  ))
   (( segid "A   " and resid 2    and name HB2 ))
      2.200     2.200     3.800 peak    65 weight  0.10000E+01 volume  0.83083E-02 ppm1      7.829 ppm2      3.281 CV     1
 ASSI {  194}
   (( segid "A   " and resid 2    and name HN  ))
   (( segid "A   " and resid 2    and name HD1 ))
      2.700     2.700     3.300 peak   194 weight  0.10000E+01 volume  0.29621E-02 ppm1      7.830 ppm2      7.242 CV     1
 ASSI {  230}
   (( segid "A   " and resid 2    and name HE1 ))
   (( segid "A   " and resid 2    and name HZ2 ))
      3.000     1.100     1.100 peak   230 weight  0.10000E+01 volume  0.27092E-02 ppm1     10.175 ppm2      7.497 CV     1
 ASSI {  193}
   (( segid "A   " and resid 2    and name HZ2 ))
   (( segid "A   " and resid 2    and name HH2 ))
      2.800     1.000     1.000 peak   193 weight  0.10000E+01 volume -0.11234E-01 ppm1      7.503 ppm2      7.241 CV     1
 ASSI {  189}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "A   " and resid 2    and name HZ3 ))
      1.500     1.500     4.500 peak   189 weight  0.10000E+01 volume  0.51259E-01 ppm1      7.245 ppm2      7.127 CV     1
 ASSI {  191}
   (( segid "A   " and resid 2    and name HZ2 ))
   (( segid "A   " and resid 2    and name HZ3 ))
      3.100     1.200     1.200 peak   191 weight  0.10000E+01 volume  0.33955E-02 ppm1      7.502 ppm2      7.128 CV     1
 ASSI {   19}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "A   " and resid 2    and name HA  ))
      2.700     0.900     0.900 peak    19 weight  0.10000E+01 volume  0.62853E-02 ppm1      7.697 ppm2      4.628 CV     1
 ASSI {  157}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "A   " and resid 2    and name HB2 ))
      2.000     0.500     0.500 peak   157 weight  0.10000E+01 volume  0.27092E-02 ppm1      7.697 ppm2      3.282 CV     1
 ASSI {  173}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "A   " and resid 3    and name HA  ))
      2.300     0.600     0.600 peak   173 weight  0.10000E+01 volume  0.48765E-02 ppm1      7.693 ppm2      4.165 CV     1
 ASSI {  349}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "A   " and resid 3    and name HB2 ))
      3.600     1.600     1.600 peak   349 weight  0.10000E+01 volume  0.12282E-02 ppm1      7.698 ppm2      1.673 CV     1
 ASSI {  138}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "A   " and resid 3    and name HD1 ))
      3.000     3.000     3.000 peak   138 weight  0.10000E+01 volume  0.28176E-02 ppm1      7.698 ppm2      1.513 CV     1
 ASSI {  332}
   (( segid "A   " and resid 3    and name HN  ))
   (( segid "A   " and resid 3    and name HG2 ))
      3.000     1.100     1.100 peak   332 weight  0.10000E+01 volume  0.14449E-02 ppm1      7.698 ppm2      1.054 CV     1
 ASSI {  502}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 1    and name HA  ))
      5.000     3.100     1.000 peak   502 weight  0.10000E+01 volume  0.83083E-03 ppm1      7.799 ppm2      4.230 CV     1
 ASSI {  287}
   (( segid "A   " and resid 2    and name HH2 ))
   (  segid "A   " and resid 4    and name HG2%)
      3.200     1.300     1.300 peak   287 weight  0.10000E+01 volume  0.16255E-02 ppm1      7.247 ppm2      0.924 CV     1
 ASSI {   44}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 3    and name HA  ))
      2.300     2.300     3.700 peak    44 weight  0.10000E+01 volume  0.80194E-02 ppm1      7.801 ppm2      4.164 CV     1
 ASSI {  348}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 3    and name HB2 ))
      3.700     1.700     1.700 peak   348 weight  0.10000E+01 volume  0.11921E-02 ppm1      7.803 ppm2      1.676 CV     1
 ASSI {  200}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 3    and name HN  ))
      1.600     0.300     0.600 peak   200 weight  0.10000E+01 volume  0.99338E-02 ppm1      7.802 ppm2      7.695 CV     1
 ASSI {  342}
   (  segid "A   " and resid 4    and name HG1%)
   (( segid "A   " and resid 4    and name HA  ))
      2.500     0.800     0.800 peak   342 weight  0.10000E+01 volume  0.37569E-02 ppm1      0.957 ppm2      4.012 CV     1
 ASSI {   45}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 4    and name HA  ))
      1.900     1.900     4.100 peak    45 weight  0.10000E+01 volume  0.60686E-02 ppm1      7.803 ppm2      4.012 CV     1
 ASSI {   88}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 4    and name HB  ))
      2.200     0.600     0.600 peak    88 weight  0.10000E+01 volume  0.39375E-02 ppm1      7.802 ppm2      2.058 CV     1
 ASSI {  499}
   (( segid "A   " and resid 4    and name HN  ))
   (  segid "A   " and resid 4    and name HG2%)
      2.200     2.200     3.800 peak   499 weight  0.10000E+01 volume  0.18784E-02 ppm1      7.802 ppm2      0.921 CV     1
 ASSI {  137}
   (( segid "A   " and resid 4    and name HN  ))
   (  segid "A   " and resid 4    and name HG1%)
      2.900     1.000     1.000 peak   137 weight  0.10000E+01 volume  0.59964E-02 ppm1      7.801 ppm2      0.955 CV     1
 ASSI {  450}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 2    and name HB2 ))
      2.400     2.400     3.600 peak   450 weight  0.10000E+01 volume  0.93921E-03 ppm1      8.258 ppm2      3.252 CV     1
 ASSI {   41}
   (( segid "A   " and resid 4    and name HN  ))
   (( segid "A   " and resid 5    and name HA1 ))
      3.300     3.300     2.700 peak    41 weight  0.10000E+01 volume  0.44070E-02 ppm1      7.915 ppm2      3.898 CV     1
 ASSI {   26}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 4    and name HA  ))
      1.900     1.900     4.100 peak    26 weight  0.10000E+01 volume  0.15533E-01 ppm1      8.258 ppm2      4.009 CV     1
 ASSI {   72}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 4    and name HB  ))
      3.100     1.200     1.200 peak    72 weight  0.10000E+01 volume  0.24203E-02 ppm1      8.255 ppm2      2.064 CV     1
 ASSI {  134}
   (( segid "A   " and resid 5    and name HN  ))
   (  segid "A   " and resid 4    and name HG2%)
      2.300     0.700     0.700 peak   134 weight  0.10000E+01 volume  0.23842E-02 ppm1      8.261 ppm2      0.923 CV     1
 ASSI {  338}
   (( segid "A   " and resid 5    and name HN  ))
   (  segid "A   " and resid 4    and name HG1%)
      3.100     1.200     1.200 peak   338 weight  0.10000E+01 volume  0.97533E-03 ppm1      8.259 ppm2      0.951 CV     1
 ASSI {  201}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 4    and name HN  ))
      2.600     0.800     0.800 peak   201 weight  0.10000E+01 volume  0.28537E-02 ppm1      8.258 ppm2      7.798 CV     1
 ASSI {   27}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 5    and name HA1 ))
      2.000     0.500     0.500 peak    27 weight  0.10000E+01 volume  0.93198E-02 ppm1      8.257 ppm2      3.906 CV     1
 ASSI {   50}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 5    and name HA2 ))
      2.500     0.800     0.800 peak    50 weight  0.10000E+01 volume  0.45153E-02 ppm1      8.258 ppm2      3.837 CV     1
 ASSI {  269}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 4    and name HA  ))
      4.100     2.100     1.900 peak   269 weight  0.10000E+01 volume  0.90307E-03 ppm1      7.905 ppm2      4.011 CV     1
 ASSI {  516}
   (( segid "A   " and resid 6    and name HN  ))
   (  segid "A   " and resid 4    and name HG2%)
      3.800     1.800     1.800 peak   516 weight  0.10000E+01 volume  0.14811E-02 ppm1      7.916 ppm2      0.924 CV     1
 ASSI {  227}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 4    and name HN  ))
      2.800     2.800     3.200 peak   227 weight  0.10000E+01 volume  0.30704E-02 ppm1      7.919 ppm2      7.800 CV     1
 ASSI {  345}
   (( segid "A   " and resid 5    and name HA1 ))
   (( segid "A   " and resid 6    and name HN  ))
      3.100     1.200     1.200 peak   345 weight  0.10000E+01 volume  0.97533E-03 ppm1      3.904 ppm2      7.913 CV     1
 ASSI {   49}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 5    and name HA2 ))
      2.800     1.000     1.000 peak    49 weight  0.10000E+01 volume  0.44070E-02 ppm1      7.915 ppm2      3.844 CV     1
 ASSI {  203}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 6    and name HN  ))
      2.300     0.700     0.700 peak   203 weight  0.10000E+01 volume  0.37208E-02 ppm1      8.258 ppm2      7.913 CV     1
 ASSI {  188}
   (  segid "A   " and resid 6    and name HE% )
   (  segid "A   " and resid 6    and name HD% )
      1.800     1.800     4.200 peak   188 weight  0.10000E+01 volume  0.45623E-01 ppm1      7.315 ppm2      7.091 CV     1
 ASSI {    9}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 6    and name HA  ))
      2.300     0.600     0.600 peak     9 weight  0.10000E+01 volume  0.74413E-02 ppm1      7.913 ppm2      4.493 CV     1
 ASSI {   64}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 6    and name HB2 ))
      2.100     0.600     0.600 peak    64 weight  0.10000E+01 volume  0.10801E-01 ppm1      7.914 ppm2      2.969 CV     1
 ASSI {  470}
   (( segid "A   " and resid 6    and name HN  ))
   (  segid "A   " and resid 6    and name HE% )
      3.800     3.800     2.200 peak   470 weight  0.10000E+01 volume  0.14088E-02 ppm1      7.912 ppm2      7.362 CV     1
 ASSI {  325}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 3    and name HE1 ))
      3.900     3.900     2.100 peak   325 weight  0.10000E+01 volume  0.10476E-02 ppm1      7.219 ppm2      2.901 CV     1
 ASSI {   47}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 3    and name HA  ))
      2.800     2.800     3.200 peak    47 weight  0.10000E+01 volume  0.52018E-02 ppm1      7.994 ppm2      4.174 CV     1
 ASSI {  506}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 3    and name HD1 ))
      4.900     3.000     1.100 peak   506 weight  0.10000E+01 volume  0.97533E-03 ppm1      7.987 ppm2      1.568 CV     1
 ASSI {  520}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 4    and name HB  ))
      4.200     2.200     1.800 peak   520 weight  0.10000E+01 volume  0.79472E-03 ppm1      7.987 ppm2      2.062 CV     1
 ASSI {  228}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 4    and name HN  ))
      2.900     1.100     1.100 peak   228 weight  0.10000E+01 volume  0.24564E-02 ppm1      7.998 ppm2      7.801 CV     1
 ASSI {  449}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
      4.100     2.100     1.900 peak   449 weight  0.10000E+01 volume  0.10837E-02 ppm1      8.256 ppm2      3.125 CV     1
 ASSI {  381}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 5    and name HA1 ))
      4.000     2.000     2.000 peak   381 weight  0.10000E+01 volume  0.14088E-02 ppm1      2.966 ppm2      3.926 CV     1
 ASSI {  380}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 5    and name HA2 ))
      3.900     1.900     1.900 peak   380 weight  0.10000E+01 volume  0.15172E-02 ppm1      2.966 ppm2      3.844 CV     1
 ASSI {  442}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 7    and name HB2 ))
      3.400     1.500     1.500 peak   442 weight  0.10000E+01 volume  0.11198E-02 ppm1      8.261 ppm2      2.969 CV     1
 ASSI {  252}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 7    and name HN  ))
      3.100     1.200     1.200 peak   252 weight  0.10000E+01 volume  0.17339E-02 ppm1      8.250 ppm2      8.021 CV     1
 ASSI {  255}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 6    and name HN  ))
      1.900     0.400     0.400 peak   255 weight  0.10000E+01 volume  0.11812E-01 ppm1      7.984 ppm2      7.913 CV     1
 ASSI {  416}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 7    and name HB1 ))
      2.500     2.500     3.500 peak   416 weight  0.10000E+01 volume  0.30704E-02 ppm1      7.228 ppm2      3.097 CV     1
 ASSI {  168}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 7    and name HB2 ))
      2.600     0.900     0.900 peak   168 weight  0.10000E+01 volume  0.41181E-02 ppm1      7.224 ppm2      2.967 CV     1
 ASSI {  419}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 7    and name HB1 ))
      3.900     1.900     1.900 peak   419 weight  0.10000E+01 volume  0.15894E-02 ppm1      7.345 ppm2      3.053 CV     1
 ASSI {   60}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 7    and name HB1 ))
      3.200     1.300     1.300 peak    60 weight  0.10000E+01 volume  0.30704E-02 ppm1      7.992 ppm2      3.105 CV     1
 ASSI {   61}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 7    and name HB2 ))
      1.800     0.400     0.400 peak    61 weight  0.10000E+01 volume  0.93198E-02 ppm1      7.990 ppm2      2.966 CV     1
 ASSI {  197}
   (( segid "A   " and resid 7    and name HN  ))
   (  segid "A   " and resid 7    and name HD% )
      3.100     1.200     1.200 peak   197 weight  0.10000E+01 volume  0.21675E-02 ppm1      7.993 ppm2      7.221 CV     1
 ASSI {  330}
   (  segid "A   " and resid 8    and name HZ% )
   (  segid "A   " and resid 4    and name HG2%)
      2.500     2.500     3.500 peak   330 weight  0.10000E+01 volume  0.83083E-03 ppm1      7.490 ppm2      0.894 CV     1
 ASSI {  480}
   (( segid "A   " and resid 5    and name HN  ))
   (( segid "A   " and resid 8    and name HG2 ))
      3.800     1.800     1.800 peak   480 weight  0.10000E+01 volume  0.83083E-03 ppm1      8.252 ppm2      1.329 CV     1
 ASSI {  327}
   (  segid "A   " and resid 8    and name HZ% )
   (( segid "A   " and resid 5    and name HA2 ))
      3.500     1.500     1.500 peak   327 weight  0.10000E+01 volume  0.86695E-03 ppm1      7.489 ppm2      3.889 CV     1
 ASSI {  213}
   (( segid "A   " and resid 7    and name HN  ))
   (( segid "A   " and resid 8    and name HN  ))
      2.200     0.600     0.600 peak   213 weight  0.10000E+01 volume  0.55269E-02 ppm1      7.984 ppm2      8.065 CV     1
 ASSI {  351}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 8    and name HD2 ))
      3.500     1.600     1.600 peak   351 weight  0.10000E+01 volume  0.28176E-02 ppm1      4.210 ppm2      1.670 CV     1
 ASSI {  114}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 8    and name HB2 ))
      3.000     1.100     1.100 peak   114 weight  0.10000E+01 volume  0.48043E-02 ppm1      8.000 ppm2      1.775 CV     1
 ASSI {  115}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 8    and name HD2 ))
      2.400     0.700     0.700 peak   115 weight  0.10000E+01 volume  0.80916E-02 ppm1      7.998 ppm2      1.670 CV     1
 ASSI {  116}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 8    and name HG2 ))
      2.400     0.700     0.700 peak   116 weight  0.10000E+01 volume  0.24203E-02 ppm1      8.000 ppm2      1.368 CV     1
 ASSI {  354}
   (( segid "A   " and resid 6    and name HN  ))
   (( segid "A   " and resid 9    and name HD2 ))
      3.800     1.800     1.800 peak   354 weight  0.10000E+01 volume  0.10837E-02 ppm1      7.912 ppm2      3.186 CV     1
 ASSI {   33}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 8    and name HA  ))
      2.100     2.100     3.900 peak    33 weight  0.10000E+01 volume  0.12174E-01 ppm1      8.130 ppm2      4.207 CV     1
 ASSI {   32}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 9    and name HA  ))
      2.600     0.800     0.800 peak    32 weight  0.10000E+01 volume  0.41181E-02 ppm1      8.130 ppm2      4.266 CV     1
 ASSI {   99}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 9    and name HB1 ))
      2.800     1.000     1.000 peak    99 weight  0.10000E+01 volume  0.40458E-02 ppm1      8.130 ppm2      1.733 CV     1
 ASSI {  256}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 9    and name HG2 ))
      2.000     0.500     0.500 peak   256 weight  0.10000E+01 volume  0.16292E-01 ppm1      8.131 ppm2      1.610 CV     1
 ASSI {  459}
   (( segid "A   " and resid 10   and name HD21))
   (( segid "A   " and resid 7    and name HA  ))
      3.800     1.800     1.800 peak   459 weight  0.10000E+01 volume  0.31065E-02 ppm1      6.865 ppm2      4.534 CV     1
 OR {  459}
   (( segid "A   " and resid 10   and name HD22))
   (( segid "A   " and resid 7    and name HA  ))
 ASSI {  249}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 8    and name HN  ))
      3.800     1.800     1.800 peak   249 weight  0.10000E+01 volume  0.11559E-02 ppm1      8.383 ppm2      8.016 CV     1
 ASSI {   21}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak    21 weight  0.10000E+01 volume  0.57074E-02 ppm1      8.376 ppm2      4.267 CV     1
 ASSI {  490}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak   490 weight  0.10000E+01 volume  0.16617E-02 ppm1      8.132 ppm2      8.378 CV     1
 ASSI {   18}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 10   and name HA  ))
      2.700     0.900     0.900 peak    18 weight  0.10000E+01 volume  0.42264E-02 ppm1      8.384 ppm2      4.686 CV     1
 ASSI {  439}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 10   and name HB2 ))
      3.400     1.500     1.500 peak   439 weight  0.10000E+01 volume  0.15533E-02 ppm1      8.386 ppm2      2.616 CV     1
 ASSI {   66}
   (( segid "A   " and resid 10   and name HN  ))
   (( segid "A   " and resid 10   and name HB1 ))
      2.600     0.800     0.800 peak    66 weight  0.10000E+01 volume  0.27454E-02 ppm1      8.372 ppm2      2.753 CV     1
 ASSI {  162}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 11   and name HE  ))
      2.800     0.900     0.900 peak   162 weight  0.10000E+01 volume  0.30343E-02 ppm1      7.341 ppm2      3.181 CV     1
 ASSI {  505}
   (( segid "A   " and resid 8    and name HN  ))
   (( segid "A   " and resid 11   and name HB2 ))
      4.100     2.100     1.900 peak   505 weight  0.10000E+01 volume  0.79472E-03 ppm1      7.989 ppm2      1.894 CV     1
 ASSI {  491}
   (( segid "A   " and resid 9    and name HN  ))
   (( segid "A   " and resid 11   and name HN  ))
      3.400     1.400     1.400 peak   491 weight  0.10000E+01 volume  0.15172E-02 ppm1      8.135 ppm2      8.330 CV     1
 ASSI {   11}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 10   and name HA  ))
      3.100     1.200     1.200 peak    11 weight  0.10000E+01 volume  0.31427E-02 ppm1      8.274 ppm2      4.687 CV     1
 ASSI {   71}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HB1 ))
      3.100     1.200     1.200 peak    71 weight  0.10000E+01 volume  0.41542E-02 ppm1      8.274 ppm2      1.883 CV     1
 ASSI {  257}
   (( segid "A   " and resid 11   and name HN  ))
   (( segid "A   " and resid 11   and name HE  ))
      3.400     1.500     1.500 peak   257 weight  0.10000E+01 volume  0.11921E-02 ppm1      8.286 ppm2      3.181 CV     1
 ASSI {  238}
   (( segid "B   " and resid 13   and name HN  ))
   (( segid "B   " and resid 12   and name HA  ))
      3.200     1.300     1.300 peak   238 weight  0.10000E+01 volume  0.22036E-02 ppm1      8.590 ppm2      4.012 CV     1
 ASSI {  242}
   (( segid "B   " and resid 13   and name HN  ))
   (( segid "B   " and resid 13   and name HB2 ))
      2.600     0.900     0.900 peak   242 weight  0.10000E+01 volume  0.13004E-02 ppm1      8.595 ppm2      1.596 CV     1
 ASSI {  462}
   (( segid "B   " and resid 13   and name HN  ))
   (( segid "B   " and resid 13   and name HD11))
      4.100     2.100     1.900 peak   462 weight  0.10000E+01 volume  0.86695E-03 ppm1      8.601 ppm2      0.935 CV     1
 OR {  462}
   (( segid "B   " and resid 13   and name HN  ))
   (( segid "B   " and resid 13   and name HD12))
 OR {  462}
   (( segid "B   " and resid 13   and name HN  ))
   (( segid "B   " and resid 13   and name HD13))
 ASSI {  260}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 12   and name HA  ))
      3.400     1.400     1.400 peak   260 weight  0.10000E+01 volume  0.79472E-03 ppm1      8.393 ppm2      4.013 CV     1
 ASSI {  183}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 13   and name HA  ))
      2.200     0.600     0.600 peak   183 weight  0.10000E+01 volume  0.59603E-02 ppm1      8.398 ppm2      4.432 CV     1
 ASSI {  471}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 14   and name HA  ))
      3.300     1.300     1.300 peak   471 weight  0.10000E+01 volume  0.86695E-03 ppm1      8.392 ppm2      4.411 CV     1
 ASSI {  147}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 15   and name HA  ))
      3.200     1.300     1.300 peak   147 weight  0.10000E+01 volume  0.46237E-02 ppm1      8.382 ppm2      4.177 CV     1
 ASSI {  133}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 15   and name HG22))
      3.600     1.600     1.600 peak   133 weight  0.10000E+01 volume  0.39736E-02 ppm1      8.385 ppm2      0.863 CV     1
 OR {  133}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 15   and name HG23))
 OR {  133}
   (( segid "B   " and resid 14   and name HN  ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {    5}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 14   and name HA  ))
      3.000     1.100     1.100 peak     5 weight  0.10000E+01 volume  0.33233E-02 ppm1      8.073 ppm2      4.436 CV     1
 ASSI {  515}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 14   and name HD21))
      3.900     1.900     1.900 peak   515 weight  0.10000E+01 volume  0.72246E-03 ppm1      7.902 ppm2      0.892 CV     1
 OR {  515}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 14   and name HD23))
 ASSI {  222}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 14   and name HN  ))
      2.200     0.600     0.600 peak   222 weight  0.10000E+01 volume  0.26009E-02 ppm1      8.074 ppm2      8.403 CV     1
 ASSI {  130}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 15   and name HB  ))
      2.900     1.100     1.100 peak   130 weight  0.10000E+01 volume  0.21675E-02 ppm1      7.897 ppm2      1.815 CV     1
 ASSI {  512}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 15   and name HD13))
      3.900     1.900     1.900 peak   512 weight  0.10000E+01 volume  0.13366E-02 ppm1      7.898 ppm2      0.834 CV     1
 OR {  512}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 15   and name HD12))
 OR {  512}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  510}
   (( segid "B   " and resid 15   and name HN  ))
   (  segid "B   " and resid 15   and name HG1%)
      4.200     2.200     1.800 peak   510 weight  0.10000E+01 volume  0.90307E-03 ppm1      7.898 ppm2      1.139 CV     1
 ASSI {  136}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 15   and name HG22))
      2.600     0.900     0.900 peak   136 weight  0.10000E+01 volume  0.29260E-02 ppm1      7.898 ppm2      0.865 CV     1
 OR {  136}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 15   and name HG23))
 OR {  136}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  307}
   (( segid "B   " and resid 13   and name HB2 ))
   (( segid "B   " and resid 16   and name HG22))
      3.900     1.900     1.900 peak   307 weight  0.10000E+01 volume  0.17700E-02 ppm1      1.610 ppm2      1.119 CV     1
 OR {  307}
   (( segid "B   " and resid 13   and name HB2 ))
   (( segid "B   " and resid 16   and name HG23))
 OR {  307}
   (( segid "B   " and resid 13   and name HB2 ))
   (( segid "B   " and resid 16   and name HG21))
 ASSI {  467}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 14   and name HN  ))
      4.000     2.000     2.000 peak   467 weight  0.10000E+01 volume  0.86695E-03 ppm1      8.277 ppm2      8.387 CV     1
 ASSI {  511}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 16   and name HG22))
      4.400     2.400     1.600 peak   511 weight  0.10000E+01 volume  0.93921E-03 ppm1      7.906 ppm2      1.109 CV     1
 OR {  511}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 16   and name HG23))
 OR {  511}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 16   and name HG21))
 ASSI {  245}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 16   and name HA  ))
      2.700     0.900     0.900 peak   245 weight  0.10000E+01 volume  0.20950E-02 ppm1      8.274 ppm2      4.382 CV     1
 ASSI {  456}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 16   and name HG22))
      3.800     1.800     1.800 peak   456 weight  0.10000E+01 volume  0.10837E-02 ppm1      8.281 ppm2      1.117 CV     1
 OR {  456}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 16   and name HG21))
 OR {  456}
   (( segid "B   " and resid 16   and name HN  ))
   (( segid "B   " and resid 16   and name HG23))
 ASSI {    2}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 16   and name HA  ))
      2.400     2.400     3.600 peak     2 weight  0.10000E+01 volume  0.49851E-02 ppm1      8.097 ppm2      4.383 CV     1
 ASSI {  308}
   (( segid "B   " and resid 17   and name HB  ))
   (  segid "B   " and resid 17   and name HG1%)
      3.000     1.100     1.100 peak   308 weight  0.10000E+01 volume  0.18784E-02 ppm1      1.846 ppm2      1.116 CV     1
 ASSI {  151}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 17   and name HA  ))
      2.700     0.900     0.900 peak   151 weight  0.10000E+01 volume  0.21675E-02 ppm1      8.099 ppm2      4.122 CV     1
 ASSI {  464}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 17   and name HD11))
      4.500     2.500     1.500 peak   464 weight  0.10000E+01 volume  0.11559E-02 ppm1      8.090 ppm2      0.882 CV     1
 OR {  464}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 17   and name HD13))
 OR {  464}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 17   and name HD12))
 ASSI {  465}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 17   and name HG21))
      2.600     0.900     0.900 peak   465 weight  0.10000E+01 volume  0.11198E-02 ppm1      8.093 ppm2      0.844 CV     1
 OR {  465}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 17   and name HG23))
 OR {  465}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 17   and name HG22))
 ASSI {  279}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HD22))
      2.300     2.300     3.700 peak   279 weight  0.10000E+01 volume  0.12282E-02 ppm1      7.295 ppm2      0.925 CV     1
 OR {  279}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HD23))
 OR {  279}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HD21))
 ASSI {  282}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HG22))
      2.200     2.200     3.800 peak   282 weight  0.10000E+01 volume  0.14811E-02 ppm1      7.290 ppm2      0.868 CV     1
 OR {  282}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HG23))
 OR {  282}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HG21))
 ASSI {  283}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 17   and name HG23))
      3.800     1.800     1.800 peak   283 weight  0.10000E+01 volume  0.15894E-02 ppm1      7.290 ppm2      0.817 CV     1
 ASSI {  236}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 17   and name HA  ))
      3.100     1.200     1.200 peak   236 weight  0.10000E+01 volume  0.18784E-02 ppm1      8.506 ppm2      4.115 CV     1
 ASSI {  243}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 17   and name HG23))
      2.400     0.700     0.700 peak   243 weight  0.10000E+01 volume  0.16617E-02 ppm1      8.511 ppm2      0.844 CV     1
 OR {  243}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 17   and name HG21))
 OR {  243}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 17   and name HG22))
 ASSI {  261}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak   261 weight  0.10000E+01 volume  0.10837E-02 ppm1      8.100 ppm2      8.501 CV     1
 ASSI {  473}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 18   and name HB1 ))
      2.900     1.100     1.100 peak   473 weight  0.10000E+01 volume  0.90307E-03 ppm1      8.507 ppm2      3.233 CV     1
 ASSI {  474}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 18   and name HB2 ))
      3.100     1.200     1.200 peak   474 weight  0.10000E+01 volume  0.90307E-03 ppm1      8.500 ppm2      3.157 CV     1
 ASSI {  367}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 19   and name HB1 ))
      5.100     3.200     0.900 peak   367 weight  0.10000E+01 volume  0.11559E-02 ppm1      1.810 ppm2      2.696 CV     1
 ASSI {  358}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 19   and name HB2 ))
      4.100     2.100     1.900 peak   358 weight  0.10000E+01 volume  0.79472E-03 ppm1      7.900 ppm2      2.754 CV     1
 ASSI {  477}
   (( segid "B   " and resid 18   and name HN  ))
   (( segid "B   " and resid 19   and name HB1 ))
      4.100     2.100     1.900 peak   477 weight  0.10000E+01 volume  0.79472E-03 ppm1      8.506 ppm2      2.689 CV     1
 ASSI {  235}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 18   and name HA  ))
      3.100     1.200     1.200 peak   235 weight  0.10000E+01 volume  0.17700E-02 ppm1      8.244 ppm2      4.698 CV     1
 ASSI {   14}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 19   and name HA  ))
      2.800     1.000     1.000 peak    14 weight  0.10000E+01 volume  0.35763E-02 ppm1      8.253 ppm2      4.598 CV     1
 ASSI {   67}
   (( segid "B   " and resid 19   and name HN  ))
   (( segid "B   " and resid 19   and name HB2 ))
      2.800     1.000     1.000 peak    67 weight  0.10000E+01 volume  0.20950E-02 ppm1      8.255 ppm2      2.689 CV     1
 ASSI {  310}
   (( segid "B   " and resid 16   and name HG22))
   (( segid "B   " and resid 20   and name HD2 ))
      3.800     3.800     2.200 peak   310 weight  0.10000E+01 volume  0.10114E-02 ppm1      1.122 ppm2      3.185 CV     1
 OR {  310}
   (( segid "B   " and resid 16   and name HG21))
   (( segid "B   " and resid 20   and name HD2 ))
 OR {  310}
   (( segid "B   " and resid 16   and name HG23))
   (( segid "B   " and resid 20   and name HD2 ))
 ASSI {  357}
   (( segid "B   " and resid 17   and name HD12))
   (( segid "B   " and resid 20   and name HD2 ))
      3.100     1.200     1.200 peak   357 weight  0.10000E+01 volume  0.14811E-02 ppm1      0.784 ppm2      3.189 CV     1
 OR {  357}
   (( segid "B   " and resid 17   and name HD11))
   (( segid "B   " and resid 20   and name HD2 ))
 ASSI {   13}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 19   and name HA  ))
      3.100     1.200     1.200 peak    13 weight  0.10000E+01 volume  0.22758E-02 ppm1      8.305 ppm2      4.599 CV     1
 ASSI {  443}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 19   and name HB2 ))
      4.200     2.200     1.800 peak   443 weight  0.10000E+01 volume  0.10114E-02 ppm1      8.233 ppm2      2.784 CV     1
 ASSI {  207}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak   207 weight  0.10000E+01 volume  0.35038E-02 ppm1      8.232 ppm2      8.129 CV     1
 ASSI {  154}
   (( segid "B   " and resid 20   and name HH21))
   (( segid "B   " and resid 20   and name HB2 ))
      3.400     1.400     1.400 peak   154 weight  0.10000E+01 volume  0.21675E-02 ppm1      7.246 ppm2      1.963 CV     1
 ASSI {   28}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 20   and name HA  ))
      2.600     0.800     0.800 peak    28 weight  0.10000E+01 volume  0.26731E-02 ppm1      8.234 ppm2      4.251 CV     1
 ASSI {   96}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 20   and name HG1 ))
      2.600     0.900     0.900 peak    96 weight  0.10000E+01 volume  0.22758E-02 ppm1      8.234 ppm2      1.627 CV     1
 ASSI {  365}
   (( segid "B   " and resid 21   and name HB1 ))
   (( segid "B   " and resid 19   and name HB2 ))
      3.900     3.900     2.100 peak   365 weight  0.10000E+01 volume  0.15533E-02 ppm1      1.796 ppm2      2.782 CV     1
 ASSI {   95}
   (( segid "B   " and resid 20   and name HN  ))
   (( segid "B   " and resid 21   and name HB1 ))
      3.500     1.500     1.500 peak    95 weight  0.10000E+01 volume  0.28176E-02 ppm1      8.235 ppm2      1.798 CV     1
 ASSI {   24}
   (( segid "B   " and resid 21   and name HN  ))
   (( segid "B   " and resid 20   and name HA  ))
      2.500     0.800     0.800 peak    24 weight  0.10000E+01 volume  0.40819E-02 ppm1      8.339 ppm2      4.251 CV     1
 ASSI {  411}
   (( segid "B   " and resid 21   and name HG2 ))
   (( segid "B   " and resid 21   and name HA  ))
      2.300     0.600     0.600 peak   411 weight  0.10000E+01 volume  0.11415E-01 ppm1      1.376 ppm2      4.226 CV     1
 ASSI {   23}
   (( segid "B   " and resid 21   and name HN  ))
   (( segid "B   " and resid 21   and name HA  ))
      2.600     0.900     0.900 peak    23 weight  0.10000E+01 volume  0.49851E-02 ppm1      8.340 ppm2      4.220 CV     1
 ASSI {   90}
   (( segid "B   " and resid 21   and name HN  ))
   (( segid "B   " and resid 21   and name HB1 ))
      2.500     0.800     0.800 peak    90 weight  0.10000E+01 volume  0.57074E-02 ppm1      8.337 ppm2      1.796 CV     1
 ASSI {   92}
   (( segid "B   " and resid 21   and name HN  ))
   (( segid "B   " and resid 21   and name HG2 ))
      3.600     1.600     1.600 peak    92 weight  0.10000E+01 volume  0.21675E-02 ppm1      8.341 ppm2      1.384 CV     1
 ASSI {  400}
   (( segid "B   " and resid 21   and name HB1 ))
   (( segid "B   " and resid 22   and name HG2 ))
      4.100     2.100     1.900 peak   400 weight  0.10000E+01 volume  0.12282E-02 ppm1      1.791 ppm2      2.187 CV     1
 ASSI {  378}
   (( segid "B   " and resid 21   and name HD1 ))
   (( segid "B   " and resid 22   and name HG2 ))
      3.500     1.600     1.600 peak   378 weight  0.10000E+01 volume  0.15533E-02 ppm1      1.680 ppm2      2.155 CV     1
 ASSI {   93}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 21   and name HB1 ))
      3.000     1.200     1.200 peak    93 weight  0.10000E+01 volume  0.42625E-02 ppm1      8.264 ppm2      1.792 CV     1
 ASSI {   94}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 21   and name HG2 ))
      3.000     1.100     1.100 peak    94 weight  0.10000E+01 volume  0.22758E-02 ppm1      8.262 ppm2      1.372 CV     1
 ASSI {   70}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 22   and name HB2 ))
      3.500     1.600     1.600 peak    70 weight  0.10000E+01 volume  0.24203E-02 ppm1      8.267 ppm2      1.971 CV     1
 ASSI {  438}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 22   and name HG1 ))
      2.600     0.900     0.900 peak   438 weight  0.10000E+01 volume  0.16617E-02 ppm1      8.264 ppm2      2.254 CV     1
 ASSI {  437}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 22   and name HG2 ))
      3.200     1.300     1.300 peak   437 weight  0.10000E+01 volume  0.14088E-02 ppm1      8.263 ppm2      2.179 CV     1
 ASSI {  100}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 21   and name HB1 ))
      1.900     1.900     4.100 peak   100 weight  0.10000E+01 volume  0.34677E-02 ppm1      8.090 ppm2      1.802 CV     1
 ASSI {  251}
   (( segid "B   " and resid 21   and name HN  ))
   (( segid "B   " and resid 23   and name HN  ))
      4.300     2.300     1.700 peak   251 weight  0.10000E+01 volume  0.13727E-02 ppm1      8.337 ppm2      8.090 CV     1
 ASSI {  370}
   (( segid "B   " and resid 22   and name HB2 ))
   (( segid "B   " and resid 23   and name HB1 ))
      4.400     2.400     1.600 peak   370 weight  0.10000E+01 volume  0.16255E-02 ppm1      1.969 ppm2      3.190 CV     1
 ASSI {  448}
   (( segid "B   " and resid 22   and name HN  ))
   (( segid "B   " and resid 23   and name HB2 ))
      4.500     2.500     1.500 peak   448 weight  0.10000E+01 volume  0.13004E-02 ppm1      8.262 ppm2      3.058 CV     1
 ASSI {  219}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 22   and name HN  ))
      3.300     1.400     1.400 peak   219 weight  0.10000E+01 volume  0.37930E-02 ppm1      8.091 ppm2      8.265 CV     1
 ASSI {  167}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 23   and name HB2 ))
      2.600     2.600     3.400 peak   167 weight  0.10000E+01 volume  0.51657E-02 ppm1      7.244 ppm2      3.065 CV     1
 ASSI {    3}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 23   and name HA  ))
      2.500     0.800     0.800 peak     3 weight  0.10000E+01 volume  0.34316E-02 ppm1      8.086 ppm2      4.544 CV     1
 ASSI {   54}
   (( segid "B   " and resid 23   and name HN  ))
   (( segid "B   " and resid 23   and name HB2 ))
      2.400     0.700     0.700 peak    54 weight  0.10000E+01 volume  0.34316E-02 ppm1      8.084 ppm2      3.057 CV     1
 ASSI {  118}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 24   and name HB3 ))
      2.100     0.600     0.600 peak   118 weight  0.10000E+01 volume  0.12788E-01 ppm1      7.995 ppm2      1.419 CV     1
 OR {  118}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 24   and name HB1 ))
 OR {  118}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 24   and name HB2 ))
 ASSI {  397}
   (( segid "B   " and resid 25   and name HD2 ))
   (( segid "B   " and resid 22   and name HG1 ))
      3.700     3.700     2.300 peak   397 weight  0.10000E+01 volume  0.15894E-02 ppm1      1.625 ppm2      2.246 CV     1
 ASSI {   53}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 23   and name HB1 ))
      3.000     1.100     1.100 peak    53 weight  0.10000E+01 volume  0.32510E-02 ppm1      8.191 ppm2      3.158 CV     1
 ASSI {  208}
   (( segid "B   " and resid 25   and name HN  ))
   (( segid "B   " and resid 24   and name HN  ))
      2.500     0.800     0.800 peak   208 weight  0.10000E+01 volume  0.31788E-02 ppm1      8.192 ppm2      8.018 CV     1
 ASSI {  423}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 25   and name HB2 ))
      3.400     3.400     2.600 peak   423 weight  0.10000E+01 volume  0.11921E-02 ppm1      7.343 ppm2      1.790 CV     1
 ASSI {  163}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 26   and name HB1 ))
      3.800     1.800     1.800 peak   163 weight  0.10000E+01 volume  0.22036E-02 ppm1      7.338 ppm2      3.155 CV     1
 ASSI {    4}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 26   and name HA  ))
      2.600     0.900     0.900 peak     4 weight  0.10000E+01 volume  0.41542E-02 ppm1      8.079 ppm2      4.567 CV     1
 ASSI {  198}
   (( segid "B   " and resid 26   and name HN  ))
   (  segid "B   " and resid 26   and name HD% )
      2.800     1.000     1.000 peak   198 weight  0.10000E+01 volume  0.22397E-02 ppm1      8.066 ppm2      7.242 CV     1
 ASSI {  375}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 23   and name HB2 ))
      3.600     1.600     1.600 peak   375 weight  0.10000E+01 volume  0.13004E-02 ppm1      2.259 ppm2      3.064 CV     1
 ASSI {  393}
   (( segid "B   " and resid 24   and name HB1 ))
   (( segid "B   " and resid 27   and name HG2 ))
      4.600     2.700     1.400 peak   393 weight  0.10000E+01 volume  0.16978E-02 ppm1      1.420 ppm2      2.259 CV     1
 OR {  393}
   (( segid "B   " and resid 24   and name HB2 ))
   (( segid "B   " and resid 27   and name HG2 ))
 OR {  393}
   (( segid "B   " and resid 24   and name HB3 ))
   (( segid "B   " and resid 27   and name HG2 ))
 ASSI {  436}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 27   and name HG2 ))
      4.600     2.700     1.400 peak   436 weight  0.10000E+01 volume  0.93921E-03 ppm1      8.000 ppm2      2.237 CV     1
 ASSI {  425}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HB2 ))
      3.900     3.900     2.100 peak   425 weight  0.10000E+01 volume  0.11198E-02 ppm1      7.338 ppm2      2.039 CV     1
 ASSI {  435}
   (( segid "B   " and resid 26   and name HN  ))
   (( segid "B   " and resid 27   and name HG2 ))
      4.200     2.200     1.800 peak   435 weight  0.10000E+01 volume  0.10114E-02 ppm1      8.073 ppm2      2.260 CV     1
 ASSI {    1}
   (( segid "B   " and resid 27   and name HN  ))
   (( segid "B   " and resid 26   and name HA  ))
      2.600     0.900     0.900 peak     1 weight  0.10000E+01 volume  0.43348E-02 ppm1      8.190 ppm2      4.535 CV     1
 ASSI {  199}
   (( segid "B   " and resid 27   and name HN  ))
   (  segid "B   " and resid 26   and name HD% )
      3.100     1.200     1.200 peak   199 weight  0.10000E+01 volume  0.26731E-02 ppm1      8.189 ppm2      7.238 CV     1
 ASSI {   80}
   (( segid "B   " and resid 27   and name HN  ))
   (( segid "B   " and resid 27   and name HB1 ))
      3.200     1.300     1.300 peak    80 weight  0.10000E+01 volume  0.46598E-02 ppm1      8.191 ppm2      1.945 CV     1
 ASSI {   79}
   (( segid "B   " and resid 27   and name HN  ))
   (( segid "B   " and resid 27   and name HB2 ))
      2.000     0.500     0.500 peak    79 weight  0.10000E+01 volume  0.74413E-02 ppm1      8.187 ppm2      2.023 CV     1
 ASSI {   78}
   (( segid "B   " and resid 27   and name HN  ))
   (( segid "B   " and resid 27   and name HG2 ))
      3.000     1.100     1.100 peak    78 weight  0.10000E+01 volume  0.45515E-02 ppm1      8.191 ppm2      2.254 CV     1
 ASSI {  391}
   (( segid "B   " and resid 24   and name HB2 ))
   (( segid "B   " and resid 28   and name HB2 ))
      3.600     1.600     1.600 peak   391 weight  0.10000E+01 volume  0.18423E-02 ppm1      1.415 ppm2      2.084 CV     1
 OR {  391}
   (( segid "B   " and resid 24   and name HB1 ))
   (( segid "B   " and resid 28   and name HB2 ))
 OR {  391}
   (( segid "B   " and resid 24   and name HB3 ))
   (( segid "B   " and resid 28   and name HB2 ))
 ASSI {   51}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 26   and name HB1 ))
      3.700     1.700     1.700 peak    51 weight  0.10000E+01 volume  0.23481E-02 ppm1      8.221 ppm2      3.164 CV     1
 ASSI {   82}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 28   and name HB2 ))
      2.500     0.800     0.800 peak    82 weight  0.10000E+01 volume  0.37569E-02 ppm1      8.176 ppm2      2.086 CV     1
 ASSI {   81}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 28   and name HG2 ))
      2.700     0.900     0.900 peak    81 weight  0.10000E+01 volume  0.26370E-02 ppm1      8.180 ppm2      2.332 CV     1
 ASSI {  306}
   (( segid "B   " and resid 26   and name HB1 ))
   (( segid "B   " and resid 29   and name HB2 ))
      3.000     3.000     3.000 peak   306 weight  0.10000E+01 volume  0.24203E-02 ppm1      3.165 ppm2      2.047 CV     1
 ASSI {   73}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 28   and name HB2 ))
      2.900     1.100     1.100 peak    73 weight  0.10000E+01 volume  0.31788E-02 ppm1      8.223 ppm2      2.082 CV     1
 ASSI {   74}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 28   and name HG2 ))
      3.700     1.700     1.700 peak    74 weight  0.10000E+01 volume  0.22758E-02 ppm1      8.222 ppm2      2.323 CV     1
 ASSI {   75}
   (( segid "B   " and resid 29   and name HN  ))
   (( segid "B   " and resid 29   and name HB2 ))
      2.300     0.700     0.700 peak    75 weight  0.10000E+01 volume  0.58880E-02 ppm1      8.221 ppm2      2.042 CV     1
 ASSI {  394}
   (( segid "B   " and resid 30   and name HG2 ))
   (( segid "B   " and resid 27   and name HG2 ))
      4.200     2.200     1.800 peak   394 weight  0.10000E+01 volume  0.11921E-02 ppm1      1.566 ppm2      2.250 CV     1
 ASSI {   84}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 29   and name HB2 ))
      2.500     0.800     0.800 peak    84 weight  0.10000E+01 volume  0.29621E-02 ppm1      8.066 ppm2      2.029 CV     1
 ASSI {  434}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 29   and name HG2 ))
      4.000     2.000     2.000 peak   434 weight  0.10000E+01 volume  0.14449E-02 ppm1      8.063 ppm2      2.332 CV     1
 ASSI {  155}
   (( segid "B   " and resid 30   and name HH21))
   (( segid "B   " and resid 30   and name HB2 ))
      3.400     1.400     1.400 peak   155 weight  0.10000E+01 volume  0.24203E-02 ppm1      7.245 ppm2      1.748 CV     1
 ASSI {  101}
   (( segid "B   " and resid 30   and name HN  ))
   (( segid "B   " and resid 30   and name HG2 ))
      3.200     1.300     1.300 peak   101 weight  0.10000E+01 volume  0.29621E-02 ppm1      8.070 ppm2      1.607 CV     1
 ASSI {  392}
   (( segid "B   " and resid 31   and name HB2 ))
   (( segid "B   " and resid 27   and name HG2 ))
      2.700     0.900     0.900 peak   392 weight  0.10000E+01 volume  0.18062E-02 ppm1      1.373 ppm2      2.256 CV     1
 OR {  392}
   (( segid "B   " and resid 31   and name HB1 ))
   (( segid "B   " and resid 27   and name HG2 ))
 OR {  392}
   (( segid "B   " and resid 31   and name HB3 ))
   (( segid "B   " and resid 27   and name HG2 ))
 ASSI {  412}
   (( segid "B   " and resid 31   and name HB1 ))
   (( segid "B   " and resid 31   and name HA  ))
      2.300     0.700     0.700 peak   412 weight  0.10000E+01 volume  0.65022E-02 ppm1      1.369 ppm2      4.181 CV     1
 OR {  412}
   (( segid "B   " and resid 31   and name HB3 ))
   (( segid "B   " and resid 31   and name HA  ))
 OR {  412}
   (( segid "B   " and resid 31   and name HB2 ))
   (( segid "B   " and resid 31   and name HA  ))
 ASSI {  107}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 31   and name HB3 ))
      2.100     0.600     0.600 peak   107 weight  0.10000E+01 volume  0.11451E-01 ppm1      8.064 ppm2      1.372 CV     1
 OR {  107}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 31   and name HB2 ))
 OR {  107}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 31   and name HB1 ))
 ASSI {  390}
   (( segid "B   " and resid 32   and name HB2 ))
   (( segid "B   " and resid 28   and name HB2 ))
      2.300     2.300     3.700 peak   390 weight  0.10000E+01 volume  0.13004E-02 ppm1      1.829 ppm2      2.090 CV     1
 ASSI {  432}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 29   and name HB2 ))
      2.300     2.300     3.700 peak   432 weight  0.10000E+01 volume  0.11559E-02 ppm1      7.945 ppm2      2.042 CV     1
 ASSI {  454}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 30   and name HD2 ))
      4.100     2.100     1.900 peak   454 weight  0.10000E+01 volume  0.90307E-03 ppm1      7.936 ppm2      3.080 CV     1
 ASSI {  126}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 31   and name HB2 ))
      2.700     0.900     0.900 peak   126 weight  0.10000E+01 volume  0.53101E-02 ppm1      7.939 ppm2      1.417 CV     1
 OR {  126}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 31   and name HB3 ))
 OR {  126}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 31   and name HB1 ))
 ASSI {   87}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.100     1.200     1.200 peak    87 weight  0.10000E+01 volume  0.21314E-02 ppm1      7.942 ppm2      1.854 CV     1
 ASSI {  124}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HB1 ))
      2.400     0.700     0.700 peak   124 weight  0.10000E+01 volume  0.44431E-02 ppm1      7.938 ppm2      1.753 CV     1
 ASSI {  125}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 32   and name HG2 ))
      3.700     1.700     1.700 peak   125 weight  0.10000E+01 volume  0.24203E-02 ppm1      7.939 ppm2      1.666 CV     1
 ASSI {  111}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 30   and name HG2 ))
      3.400     3.400     2.600 peak   111 weight  0.10000E+01 volume  0.23842E-02 ppm1      8.012 ppm2      1.596 CV     1
 ASSI {  108}
   (( segid "B   " and resid 31   and name HN  ))
   (( segid "B   " and resid 34   and name HG1 ))
      3.200     3.200     2.800 peak   108 weight  0.10000E+01 volume  0.24564E-02 ppm1      8.068 ppm2      1.294 CV     1
 ASSI {  129}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 34   and name HD2 ))
      3.500     1.500     1.500 peak   129 weight  0.10000E+01 volume  0.23481E-02 ppm1      7.936 ppm2      1.610 CV     1
 ASSI {  408}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 34   and name HG1 ))
      3.500     1.500     1.500 peak   408 weight  0.10000E+01 volume  0.16255E-02 ppm1      3.164 ppm2      1.293 CV     1
 ASSI {  128}
   (( segid "B   " and resid 32   and name HN  ))
   (( segid "B   " and resid 34   and name HG1 ))
      2.800     1.000     1.000 peak   128 weight  0.10000E+01 volume  0.28176E-02 ppm1      7.935 ppm2      1.296 CV     1
 ASSI {   57}
   (( segid "B   " and resid 34   and name HN  ))
   (( segid "B   " and resid 32   and name HD2 ))
      2.800     2.800     3.200 peak    57 weight  0.10000E+01 volume  0.28537E-02 ppm1      8.020 ppm2      3.173 CV     1
 ASSI {  123}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 31   and name HB2 ))
      3.100     3.100     2.900 peak   123 weight  0.10000E+01 volume  0.30704E-02 ppm1      7.970 ppm2      1.371 CV     1
 OR {  123}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 31   and name HB1 ))
 ASSI {  329}
   (( segid "B   " and resid 35   and name HZ2 ))
   (( segid "B   " and resid 32   and name HA  ))
      3.900     1.900     1.900 peak   329 weight  0.10000E+01 volume  0.83083E-03 ppm1      7.492 ppm2      4.212 CV     1
 ASSI {  141}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 34   and name HG1 ))
      3.400     3.400     2.600 peak   141 weight  0.10000E+01 volume  0.24203E-02 ppm1      7.251 ppm2      1.294 CV     1
 ASSI {  120}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 34   and name HB2 ))
      2.300     0.700     0.700 peak   120 weight  0.10000E+01 volume  0.58158E-02 ppm1      7.981 ppm2      1.715 CV     1
 ASSI {  121}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 34   and name HD2 ))
      1.900     1.900     4.100 peak   121 weight  0.10000E+01 volume  0.34677E-02 ppm1      7.987 ppm2      1.612 CV     1
 ASSI {  122}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 34   and name HG1 ))
      3.200     1.300     1.300 peak   122 weight  0.10000E+01 volume  0.29621E-02 ppm1      7.979 ppm2      1.332 CV     1
 ASSI {  427}
   (( segid "B   " and resid 35   and name HZ2 ))
   (( segid "B   " and resid 34   and name HG1 ))
      3.500     1.600     1.600 peak   427 weight  0.10000E+01 volume  0.97533E-03 ppm1      7.505 ppm2      1.287 CV     1
 ASSI {  164}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 35   and name HB2 ))
      2.300     0.700     0.700 peak   164 weight  0.10000E+01 volume  0.55269E-02 ppm1      7.253 ppm2      3.318 CV     1
 ASSI {  233}
   (( segid "B   " and resid 35   and name HE1 ))
   (( segid "B   " and resid 35   and name HA  ))
      4.000     2.000     2.000 peak   233 weight  0.10000E+01 volume  0.11921E-02 ppm1     10.099 ppm2      4.689 CV     1
 ASSI {  234}
   (( segid "B   " and resid 35   and name HE1 ))
   (( segid "B   " and resid 35   and name HB2 ))
      3.900     1.900     1.900 peak   234 weight  0.10000E+01 volume  0.15533E-02 ppm1     10.101 ppm2      3.317 CV     1
 ASSI {  232}
   (( segid "B   " and resid 35   and name HE1 ))
   (( segid "B   " and resid 35   and name HD1 ))
      2.300     0.700     0.700 peak   232 weight  0.10000E+01 volume  0.71885E-02 ppm1     10.099 ppm2      7.252 CV     1
 ASSI {   20}
   (( segid "B   " and resid 35   and name HE3 ))
   (( segid "B   " and resid 35   and name HA  ))
      2.600     0.900     0.900 peak    20 weight  0.10000E+01 volume  0.38652E-02 ppm1      7.650 ppm2      4.692 CV     1
 ASSI {  159}
   (( segid "B   " and resid 35   and name HE3 ))
   (( segid "B   " and resid 35   and name HB2 ))
      3.800     1.800     1.800 peak   159 weight  0.10000E+01 volume  0.23120E-02 ppm1      7.650 ppm2      3.276 CV     1
 ASSI {  186}
   (( segid "B   " and resid 35   and name HE3 ))
   (( segid "B   " and resid 35   and name HH2 ))
      3.600     1.600     1.600 peak   186 weight  0.10000E+01 volume  0.26370E-02 ppm1      7.652 ppm2      7.242 CV     1
 ASSI {   16}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 35   and name HA  ))
      2.600     0.900     0.900 peak    16 weight  0.10000E+01 volume  0.45153E-02 ppm1      7.979 ppm2      4.690 CV     1
 ASSI {   62}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 35   and name HB2 ))
      2.600     0.800     0.800 peak    62 weight  0.10000E+01 volume  0.39736E-02 ppm1      7.982 ppm2      3.317 CV     1
 ASSI {  195}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 35   and name HD1 ))
      2.900     1.100     1.100 peak   195 weight  0.10000E+01 volume  0.31788E-02 ppm1      7.982 ppm2      7.252 CV     1
 ASSI {  253}
   (( segid "B   " and resid 35   and name HN  ))
   (( segid "B   " and resid 35   and name HE3 ))
      3.100     1.200     1.200 peak   253 weight  0.10000E+01 volume  0.23481E-02 ppm1      7.983 ppm2      7.646 CV     1
 ASSI {  229}
   (( segid "B   " and resid 35   and name HE1 ))
   (( segid "B   " and resid 35   and name HZ2 ))
      2.700     0.900     0.900 peak   229 weight  0.10000E+01 volume  0.46959E-02 ppm1     10.099 ppm2      7.496 CV     1
 ASSI {  185}
   (( segid "B   " and resid 35   and name HE3 ))
   (( segid "B   " and resid 35   and name HZ3 ))
      2.200     0.600     0.600 peak   185 weight  0.10000E+01 volume  0.13727E-01 ppm1      7.652 ppm2      7.163 CV     1
 ASSI {  192}
   (( segid "B   " and resid 35   and name HZ2 ))
   (( segid "B   " and resid 35   and name HZ3 ))
      3.500     1.500     1.500 peak   192 weight  0.10000E+01 volume  0.35763E-02 ppm1      7.500 ppm2      7.168 CV     1
 ASSI {  110}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 34   and name HB2 ))
      3.200     3.200     2.800 peak   110 weight  0.10000E+01 volume  0.36846E-02 ppm1      8.016 ppm2      1.733 CV     1
 ASSI {   15}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 35   and name HA  ))
      2.700     0.900     0.900 peak    15 weight  0.10000E+01 volume  0.52379E-02 ppm1      8.017 ppm2      4.684 CV     1
 ASSI {   59}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 35   and name HB2 ))
      2.700     0.900     0.900 peak    59 weight  0.10000E+01 volume  0.22036E-02 ppm1      8.017 ppm2      3.321 CV     1
 ASSI {  196}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 35   and name HD1 ))
      3.300     1.300     1.300 peak   196 weight  0.10000E+01 volume  0.31427E-02 ppm1      8.020 ppm2      7.247 CV     1
 ASSI {    6}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 36   and name HA  ))
      2.300     0.600     0.600 peak     6 weight  0.10000E+01 volume  0.11523E-01 ppm1      8.012 ppm2      4.532 CV     1
 ASSI {   69}
   (( segid "B   " and resid 36   and name HN  ))
   (( segid "B   " and resid 36   and name HB2 ))
      2.200     0.600     0.600 peak    69 weight  0.10000E+01 volume  0.43709E-02 ppm1      8.018 ppm2      2.506 CV     1
 ASSI {  139}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 11   and name HG2 ))
      3.000     1.100     1.100 peak   139 weight  0.10000E+01 volume  0.20950E-02 ppm1      7.340 ppm2      1.609 CV     1
 OR {  139}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "A   " and resid 11   and name HG2 ))
 ASSI {  220}
   (( segid "B   " and resid 28   and name HN  ))
   (( segid "B   " and resid 29   and name HN  ))
      2.500     0.800     0.800 peak   220 weight  0.10000E+01 volume  0.26731E-02 ppm1      8.137 ppm2      8.253 CV     1
 ASSI {  275}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 17   and name HD11))
      3.500     3.500     2.500 peak   275 weight  0.10000E+01 volume  0.17700E-02 ppm1      7.341 ppm2      0.868 CV     1
 OR {  275}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 17   and name HG21))
 OR {  275}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "B   " and resid 17   and name HD11))
 ASSI {  277}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 17   and name HD11))
      3.600     3.600     2.400 peak   277 weight  0.10000E+01 volume  0.15533E-02 ppm1      7.325 ppm2      0.822 CV     1
 OR {  277}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  294}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 17   and name HD11))
      4.000     2.000     2.000 peak   294 weight  0.10000E+01 volume  0.90307E-03 ppm1      7.209 ppm2      0.844 CV     1
 OR {  294}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  301}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HA  ))
      3.400     1.400     1.400 peak   301 weight  0.10000E+01 volume  0.10476E-02 ppm1      7.300 ppm2      4.257 CV     1
 ASSI {  305}
   (( segid "B   " and resid 17   and name HN  ))
   (( segid "B   " and resid 17   and name HG21))
      2.300     0.700     0.700 peak   305 weight  0.10000E+01 volume  0.10837E-02 ppm1      8.138 ppm2      0.812 CV     1
 ASSI {  322}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 19   and name HB1 ))
      4.100     2.100     1.900 peak   322 weight  0.10000E+01 volume  0.11198E-02 ppm1      7.336 ppm2      2.692 CV     1
 ASSI {  366}
   (( segid "B   " and resid 24   and name HB1 ))
   (( segid "B   " and resid 19   and name HB2 ))
      3.200     1.200     1.200 peak   366 weight  0.10000E+01 volume  0.13727E-02 ppm1      1.417 ppm2      2.750 CV     1
 ASSI {  389}
   (( segid "B   " and resid 21   and name HG2 ))
   (( segid "B   " and resid 22   and name HG2 ))
      3.600     1.600     1.600 peak   389 weight  0.10000E+01 volume  0.12643E-02 ppm1      1.368 ppm2      2.169 CV     1
 ASSI {  407}
   (( segid "B   " and resid 19   and name HB1 ))
   (( segid "B   " and resid 16   and name HA  ))
      2.300     2.300     3.700 peak   407 weight  0.10000E+01 volume  0.13727E-02 ppm1      2.670 ppm2      4.441 CV     1
 ASSI {  460}
   (( segid "B   " and resid 36   and name HB2 ))
   (( segid "B   " and resid 36   and name HA  ))
      2.400     0.700     0.700 peak   460 weight  0.10000E+01 volume  0.79472E-02 ppm1      2.499 ppm2      4.534 CV     1
 ASSI {  513}
   (( segid "B   " and resid 15   and name HN  ))
   (( segid "B   " and resid 17   and name HG21))
      4.100     2.100     1.900 peak   513 weight  0.10000E+01 volume  0.93921E-03 ppm1      7.908 ppm2      0.808 CV     1
 ASSI {  518}
   (( segid "B   " and resid 24   and name HN  ))
   (( segid "B   " and resid 27   and name HB2 ))
      4.100     2.100     1.900 peak   518 weight  0.10000E+01 volume  0.79472E-03 ppm1      7.994 ppm2      2.031 CV     1
 ASSI {   10}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 3    and name HA  ))
      2.000     2.000     4.000 peak    10 weight  0.10000E+01 volume  0.26023E-02 ppm1      7.359 ppm2      4.233 CV     1
 ASSI {   17}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 33   and name HA  ))
      3.000     3.000     3.000 peak    17 weight  0.10000E+01 volume  0.32828E-02 ppm1      7.260 ppm2      4.188 CV     1
 ASSI {   43}
   (( segid "A   " and resid 2    and name HZ2 ))
   (( segid "B   " and resid 12   and name HD2 ))
      4.600     2.700     1.400 peak    43 weight  0.10000E+01 volume  0.88078E-03 ppm1      7.514 ppm2      1.693 CV     1
 ASSI {   50}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 7    and name HB2 ))
      2.900     2.900     3.100 peak    50 weight  0.10000E+01 volume  0.64456E-02 ppm1      7.361 ppm2      2.989 CV     1
 ASSI {   68}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 25   and name HG1 ))
      3.100     1.200     1.200 peak    68 weight  0.10000E+01 volume  0.22420E-02 ppm1      7.359 ppm2      1.394 CV     1
 ASSI {   87}
   (  segid "A   " and resid 6    and name HE% )
   (( segid "A   " and resid 6    and name HB2 ))
      3.200     1.300     1.300 peak    87 weight  0.10000E+01 volume  0.71864E-02 ppm1      7.326 ppm2      2.989 CV     1
 ASSI {  118}
   (( segid "B   " and resid 32   and name HH21))
   (( segid "B   " and resid 32   and name HB1 ))
      3.600     1.600     1.600 peak   118 weight  0.10000E+01 volume  0.17215E-02 ppm1      7.312 ppm2      1.829 CV     1
 ASSI {  126}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 27   and name HG1 ))
      4.200     2.200     1.800 peak   126 weight  0.10000E+01 volume  0.92082E-03 ppm1      7.262 ppm2      2.367 CV     1
 ASSI {  132}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 25   and name HD1 ))
      1.900     1.900     4.100 peak   132 weight  0.10000E+01 volume  0.38234E-02 ppm1      7.263 ppm2      1.637 CV     1
 ASSI {  134}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 25   and name HG1 ))
      2.900     1.100     1.100 peak   134 weight  0.10000E+01 volume  0.26023E-02 ppm1      7.264 ppm2      1.387 CV     1
 ASSI {  138}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 3    and name HG2 ))
      3.100     1.200     1.200 peak   138 weight  0.10000E+01 volume  0.16214E-02 ppm1      7.263 ppm2      1.076 CV     1
 ASSI {  143}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "A   " and resid 1    and name HB2 ))
      2.500     2.500     3.500 peak   143 weight  0.10000E+01 volume  0.99088E-02 ppm1      7.262 ppm2      1.917 CV     1
 OR {  143}
   (( segid "A   " and resid 2    and name HD1 ))
   (( segid "A   " and resid 1    and name HB2 ))
 ASSI {  150}
   (  segid "A   " and resid 7    and name HD% )
   (  segid "A   " and resid 4    and name HG1%)
      3.600     1.600     1.600 peak   150 weight  0.10000E+01 volume  0.37632E-02 ppm1      7.257 ppm2      0.978 CV     1
 ASSI {  151}
   (( segid "A   " and resid 2    and name HH2 ))
   (  segid "A   " and resid 4    and name HG1%)
      3.300     1.400     1.400 peak   151 weight  0.10000E+01 volume  0.48242E-02 ppm1      7.261 ppm2      0.947 CV     1
 ASSI {  171}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 2    and name HB2 ))
      3.400     1.400     1.400 peak   171 weight  0.10000E+01 volume  0.37033E-02 ppm1      7.144 ppm2      3.304 CV     1
 ASSI {  172}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 4    and name HB  ))
      2.100     0.500     0.500 peak   172 weight  0.10000E+01 volume  0.13812E-02 ppm1      7.142 ppm2      2.049 CV     1
 ASSI {  184}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 3    and name HB2 ))
      3.500     3.500     2.500 peak   184 weight  0.10000E+01 volume  0.12011E-02 ppm1      7.110 ppm2      1.694 CV     1
 ASSI {  211}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
      1.900     1.900     4.100 peak   211 weight  0.10000E+01 volume  0.16535E-01 ppm1      4.542 ppm2      2.987 CV     1
 ASSI {  218}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 9    and name HB1 ))
      3.800     1.800     1.800 peak   218 weight  0.10000E+01 volume  0.16415E-02 ppm1      4.512 ppm2      1.693 CV     1
 ASSI {  230}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 9    and name HB1 ))
      2.500     0.800     0.800 peak   230 weight  0.10000E+01 volume  0.75466E-02 ppm1      4.290 ppm2      1.796 CV     1
 ASSI {  231}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 11   and name HD2 ))
      2.700     0.900     0.900 peak   231 weight  0.10000E+01 volume  0.88678E-02 ppm1      4.292 ppm2      3.204 CV     1
 OR {  231}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 11   and name HE  ))
 ASSI {  235}
   (( segid "B   " and resid 15   and name HA  ))
   (( segid "B   " and resid 19   and name HB2 ))
      3.000     1.100     1.100 peak   235 weight  0.10000E+01 volume  0.13612E-02 ppm1      4.283 ppm2      2.755 CV     1
 ASSI {  242}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 24   and name HB3 ))
      1.800     0.400     0.400 peak   242 weight  0.10000E+01 volume  0.10930E-01 ppm1      4.274 ppm2      1.439 CV     1
 OR {  242}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 24   and name HB1 ))
 OR {  242}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 24   and name HB2 ))
 ASSI {  289}
   (( segid "B   " and resid 27   and name HA  ))
   (( segid "B   " and resid 27   and name HG2 ))
      2.400     0.700     0.700 peak   289 weight  0.10000E+01 volume  0.23021E-02 ppm1      4.183 ppm2      2.280 CV     1
 ASSI {  304}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 12   and name HG2 ))
      3.000     1.100     1.100 peak   304 weight  0.10000E+01 volume  0.23620E-02 ppm1      4.036 ppm2      1.451 CV     1
 ASSI {  310}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 8    and name HB1 ))
      4.300     2.300     1.700 peak   310 weight  0.10000E+01 volume  0.13412E-02 ppm1      4.028 ppm2      1.801 CV     1
 ASSI {  314}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "B   " and resid 12   and name HG2 ))
      4.000     2.000     2.000 peak   314 weight  0.10000E+01 volume  0.14413E-02 ppm1      4.030 ppm2      1.398 CV     1
 ASSI {  330}
   (( segid "B   " and resid 35   and name HB2 ))
   (( segid "B   " and resid 32   and name HG2 ))
      3.500     1.500     1.500 peak   330 weight  0.10000E+01 volume  0.34230E-02 ppm1      3.333 ppm2      1.641 CV     1
 ASSI {  388}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 17   and name HG23))
      3.200     1.300     1.300 peak   388 weight  0.10000E+01 volume  0.18016E-02 ppm1      3.181 ppm2      0.853 CV     1
 OR {  388}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 17   and name HG21))
 OR {  388}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 17   and name HG22))
 ASSI {  407}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 34   and name HB2 ))
      3.400     1.400     1.400 peak   407 weight  0.10000E+01 volume  0.17816E-02 ppm1      4.704 ppm2      1.756 CV     1
 ASSI {  433}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 22   and name HB1 ))
      4.400     2.400     1.600 peak   433 weight  0.10000E+01 volume  0.92082E-03 ppm1      4.609 ppm2      1.905 CV     1
 OR {  433}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 22   and name HB2 ))
 ASSI {  446}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 27   and name HA  ))
      4.300     2.300     1.700 peak   446 weight  0.10000E+01 volume  0.84075E-03 ppm1      7.264 ppm2      4.132 CV     1
 ASSI {  496}
   (  segid "A   " and resid 8    and name HZ% )
   (( segid "A   " and resid 9    and name HD2 ))
      4.000     2.000     2.000 peak   496 weight  0.10000E+01 volume  0.76067E-03 ppm1      7.507 ppm2      3.204 CV     1
 OR {  496}
   (  segid "A   " and resid 8    and name HZ% )
   (( segid "A   " and resid 9    and name HD1 ))
 ASSI {  523}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 15   and name HD13))
      4.500     2.500     1.500 peak   523 weight  0.10000E+01 volume  0.78068E-03 ppm1      4.042 ppm2      0.788 CV     1
 OR {  523}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 OR {  523}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 15   and name HD12))
 ASSI {  672}
   (( segid "A   " and resid 8    and name HG2 ))
   (( segid "B   " and resid 15   and name HG21))
      4.000     2.000     2.000 peak   672 weight  0.10000E+01 volume  0.96084E-03 ppm1      1.317 ppm2      0.860 CV     1
 OR {  672}
   (( segid "A   " and resid 8    and name HG2 ))
   (( segid "B   " and resid 15   and name HG22))
 OR {  672}
   (( segid "A   " and resid 8    and name HG2 ))
   (( segid "B   " and resid 15   and name HG23))
 ASSI {  713}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 24   and name HB1 ))
      3.900     1.900     1.900 peak   713 weight  0.10000E+01 volume  0.12211E-02 ppm1      2.404 ppm2      1.386 CV     1
 OR {  713}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 24   and name HB2 ))
 ASSI {  720}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 32   and name HG2 ))
      3.600     1.600     1.600 peak   720 weight  0.10000E+01 volume  0.11410E-02 ppm1      2.422 ppm2      1.652 CV     1
 ASSI {  721}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HG2 ))
      3.300     3.300     2.700 peak   721 weight  0.10000E+01 volume  0.12611E-02 ppm1      2.360 ppm2      1.659 CV     1
 ASSI {  723}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 32   and name HG2 ))
      3.400     1.400     1.400 peak   723 weight  0.10000E+01 volume  0.10409E-02 ppm1      2.280 ppm2      1.624 CV     1
 ASSI {  731}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 32   and name HB2 ))
      4.500     2.500     1.500 peak   731 weight  0.10000E+01 volume  0.68060E-03 ppm1      2.432 ppm2      1.742 CV     1
 ASSI {  732}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.500     1.500     1.500 peak   732 weight  0.10000E+01 volume  0.82072E-03 ppm1      2.412 ppm2      1.768 CV     1
 ASSI {  790}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "B   " and resid 19   and name HB1 ))
      3.600     1.600     1.600 peak   790 weight  0.10000E+01 volume  0.64056E-03 ppm1      4.303 ppm2      2.671 CV     1
 ASSI {  868}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 17   and name HD12))
      3.500     1.600     1.600 peak   868 weight  0.10000E+01 volume  0.72063E-03 ppm1      4.702 ppm2      0.833 CV     1
 ASSI {  869}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 21   and name HG2 ))
      4.300     2.300     1.700 peak   869 weight  0.10000E+01 volume  0.74066E-03 ppm1      4.701 ppm2      1.391 CV     1
 ASSI {  255}
   (( segid "A   " and resid 1    and name HA  ))
   (( segid "A   " and resid 1    and name HB2 ))
      1.900     1.900     4.100 peak   255 weight  0.10000E+01 volume  0.20518E-01 ppm1      4.242 ppm2      1.898 CV     1
 ASSI {  252}
   (( segid "A   " and resid 1    and name HA  ))
   (( segid "A   " and resid 1    and name HE1 ))
      3.000     1.100     1.100 peak   252 weight  0.10000E+01 volume  0.80071E-02 ppm1      4.242 ppm2      2.049 CV     1
 ASSI {  248}
   (( segid "A   " and resid 1    and name HA  ))
   (( segid "A   " and resid 1    and name HG2 ))
      3.200     1.300     1.300 peak   248 weight  0.10000E+01 volume  0.65258E-02 ppm1      4.241 ppm2      2.419 CV     1
 ASSI {  246}
   (( segid "A   " and resid 1    and name HA  ))
   (( segid "A   " and resid 2    and name HB2 ))
      3.500     3.500     2.500 peak   246 weight  0.10000E+01 volume  0.21818E-02 ppm1      4.241 ppm2      3.305 CV     1
 ASSI {  333}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 1    and name HB2 ))
      3.600     1.600     1.600 peak   333 weight  0.10000E+01 volume  0.27624E-02 ppm1      3.302 ppm2      1.917 CV     1
 ASSI {  332}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 1    and name HE1 ))
      3.700     1.800     1.800 peak   332 weight  0.10000E+01 volume  0.15013E-02 ppm1      3.300 ppm2      2.048 CV     1
 ASSI {    1}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 1    and name HA  ))
      3.800     1.800     1.800 peak     1 weight  0.10000E+01 volume  0.13412E-02 ppm1      7.594 ppm2      4.242 CV     1
 ASSI {   34}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 1    and name HB2 ))
      3.100     1.200     1.200 peak    34 weight  0.10000E+01 volume  0.15213E-02 ppm1      7.596 ppm2      1.918 CV     1
 ASSI {   33}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 1    and name HE1 ))
      3.300     1.300     1.300 peak    33 weight  0.10000E+01 volume  0.11810E-02 ppm1      7.595 ppm2      2.049 CV     1
 ASSI {  142}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "A   " and resid 1    and name HE1 ))
      4.100     2.100     1.900 peak   142 weight  0.10000E+01 volume  0.11410E-02 ppm1      7.264 ppm2      2.021 CV     1
 ASSI {  141}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "A   " and resid 1    and name HG2 ))
      3.900     3.900     2.100 peak   141 weight  0.10000E+01 volume  0.15614E-02 ppm1      7.260 ppm2      2.420 CV     1
 ASSI {  443}
   (( segid "A   " and resid 2    and name HZ2 ))
   (( segid "A   " and resid 1    and name HA  ))
      3.600     1.600     1.600 peak   443 weight  0.10000E+01 volume  0.84075E-03 ppm1      7.509 ppm2      4.228 CV     1
 ASSI {   42}
   (( segid "A   " and resid 2    and name HZ2 ))
   (( segid "A   " and resid 1    and name HB2 ))
      3.200     3.200     2.800 peak    42 weight  0.10000E+01 volume  0.19817E-02 ppm1      7.515 ppm2      1.917 CV     1
 ASSI {  444}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 1    and name HA  ))
      4.300     2.300     1.700 peak   444 weight  0.10000E+01 volume  0.82072E-03 ppm1      7.145 ppm2      4.244 CV     1
 ASSI {  173}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 1    and name HB2 ))
      3.400     1.500     1.500 peak   173 weight  0.10000E+01 volume  0.16415E-02 ppm1      7.140 ppm2      1.917 CV     1
 ASSI {   31}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 2    and name HB2 ))
      1.900     0.500     0.500 peak    31 weight  0.10000E+01 volume  0.20278E-01 ppm1      7.594 ppm2      3.304 CV     1
 ASSI {   39}
   (( segid "A   " and resid 2    and name HZ2 ))
   (( segid "A   " and resid 2    and name HB2 ))
      3.700     3.700     2.300 peak    39 weight  0.10000E+01 volume  0.10209E-02 ppm1      7.513 ppm2      3.306 CV     1
 ASSI {    2}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 3    and name HA  ))
      3.400     1.400     1.400 peak     2 weight  0.10000E+01 volume  0.28024E-02 ppm1      7.593 ppm2      4.182 CV     1
 ASSI {   23}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 3    and name HA  ))
      4.100     2.100     1.900 peak    23 weight  0.10000E+01 volume  0.13412E-02 ppm1      7.147 ppm2      4.182 CV     1
 ASSI {  574}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 3    and name HB2 ))
      4.600     2.700     1.400 peak   574 weight  0.10000E+01 volume  0.82072E-03 ppm1      3.298 ppm2      1.749 CV     1
 ASSI {   38}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 3    and name HB2 ))
      4.400     2.400     1.600 peak    38 weight  0.10000E+01 volume  0.11010E-02 ppm1      7.591 ppm2      1.697 CV     1
 ASSI {  168}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 3    and name HB2 ))
      4.400     2.400     1.600 peak   168 weight  0.10000E+01 volume  0.10409E-02 ppm1      7.150 ppm2      1.684 CV     1
 ASSI {  339}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 3    and name HD1 ))
      2.900     1.100     1.100 peak   339 weight  0.10000E+01 volume  0.11210E-02 ppm1      3.302 ppm2      1.553 CV     1
 ASSI {  148}
   (( segid "A   " and resid 2    and name HD1 ))
   (( segid "A   " and resid 3    and name HD1 ))
      3.800     1.800     1.800 peak   148 weight  0.10000E+01 volume  0.28024E-02 ppm1      7.259 ppm2      1.555 CV     1
 ASSI {  432}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 3    and name HD1 ))
      4.200     4.200     1.800 peak   432 weight  0.10000E+01 volume  0.88078E-03 ppm1      7.593 ppm2      1.548 CV     1
 ASSI {   44}
   (( segid "A   " and resid 2    and name HZ2 ))
   (( segid "A   " and resid 3    and name HD1 ))
      4.000     2.000     2.000 peak    44 weight  0.10000E+01 volume  0.12611E-02 ppm1      7.517 ppm2      1.550 CV     1
 ASSI {  468}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 3    and name HD1 ))
      4.700     2.800     1.300 peak   468 weight  0.10000E+01 volume  0.88078E-03 ppm1      7.139 ppm2      1.545 CV     1
 ASSI {  587}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 3    and name HE1 ))
      3.500     1.500     1.500 peak   587 weight  0.10000E+01 volume  0.16415E-02 ppm1      3.308 ppm2      2.889 CV     1
 ASSI {  513}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 3    and name HE1 ))
      3.600     1.600     1.600 peak   513 weight  0.10000E+01 volume  0.54048E-03 ppm1      7.598 ppm2      2.883 CV     1
 ASSI {  140}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "A   " and resid 3    and name HE1 ))
      2.900     2.900     3.100 peak   140 weight  0.10000E+01 volume  0.25223E-02 ppm1      7.260 ppm2      2.881 CV     1
 ASSI {   40}
   (( segid "A   " and resid 2    and name HZ2 ))
   (( segid "A   " and resid 3    and name HE1 ))
      2.900     2.900     3.100 peak    40 weight  0.10000E+01 volume  0.26423E-02 ppm1      7.516 ppm2      2.882 CV     1
 ASSI {  340}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 3    and name HG2 ))
      4.200     2.200     1.800 peak   340 weight  0.10000E+01 volume  0.10409E-02 ppm1      3.304 ppm2      1.079 CV     1
 ASSI {  448}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 3    and name HG2 ))
      3.200     1.300     1.300 peak   448 weight  0.10000E+01 volume  0.90079E-03 ppm1      7.595 ppm2      1.061 CV     1
 ASSI {  471}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 3    and name HG2 ))
      3.600     1.600     1.600 peak   471 weight  0.10000E+01 volume  0.72063E-03 ppm1      7.147 ppm2      1.071 CV     1
 ASSI {  288}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 3    and name HE1 ))
      3.900     1.900     1.900 peak   288 weight  0.10000E+01 volume  0.28024E-02 ppm1      4.180 ppm2      2.883 CV     1
 ASSI {  346}
   (( segid "A   " and resid 3    and name HE1 ))
   (( segid "A   " and resid 3    and name HB2 ))
      3.800     1.800     1.800 peak   346 weight  0.10000E+01 volume  0.29627E-02 ppm1      2.884 ppm2      1.698 CV     1
 ASSI {  349}
   (( segid "A   " and resid 3    and name HE1 ))
   (( segid "A   " and resid 3    and name HD1 ))
      1.800     0.400     0.400 peak   349 weight  0.10000E+01 volume  0.20838E-01 ppm1      2.878 ppm2      1.549 CV     1
 ASSI {  293}
   (( segid "A   " and resid 3    and name HA  ))
   (( segid "A   " and resid 3    and name HG2 ))
      2.500     2.500     3.500 peak   293 weight  0.10000E+01 volume  0.96886E-02 ppm1      4.181 ppm2      1.078 CV     1
 ASSI {  350}
   (( segid "A   " and resid 3    and name HE1 ))
   (( segid "A   " and resid 3    and name HG2 ))
      2.400     0.700     0.700 peak   350 weight  0.10000E+01 volume  0.69260E-02 ppm1      2.881 ppm2      1.074 CV     1
 ASSI {  315}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 1    and name HB2 ))
      3.600     3.600     2.400 peak   315 weight  0.10000E+01 volume  0.22020E-02 ppm1      4.024 ppm2      1.889 CV     1
 ASSI {  439}
   (( segid "A   " and resid 1    and name HA  ))
   (  segid "A   " and resid 4    and name HG2%)
      3.400     3.400     2.600 peak   439 weight  0.10000E+01 volume  0.51244E-02 ppm1      4.240 ppm2      0.946 CV     1
 ASSI {  438}
   (( segid "A   " and resid 1    and name HA  ))
   (  segid "A   " and resid 4    and name HG1%)
      3.200     1.300     1.300 peak   438 weight  0.10000E+01 volume  0.97085E-02 ppm1      4.243 ppm2      0.978 CV     1
 ASSI {  490}
   (( segid "A   " and resid 1    and name HG2 ))
   (  segid "A   " and resid 4    and name HG1%)
      3.300     1.400     1.400 peak   490 weight  0.10000E+01 volume  0.10609E-02 ppm1      2.417 ppm2      0.978 CV     1
 ASSI {  512}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 4    and name HA  ))
      4.000     2.000     2.000 peak   512 weight  0.10000E+01 volume  0.56050E-03 ppm1      7.598 ppm2      4.019 CV     1
 ASSI {   46}
   (( segid "A   " and resid 2    and name HZ2 ))
   (  segid "A   " and resid 4    and name HG2%)
      3.400     3.400     2.600 peak    46 weight  0.10000E+01 volume  0.15013E-02 ppm1      7.517 ppm2      0.946 CV     1
 ASSI {  377}
   (( segid "A   " and resid 2    and name HB2 ))
   (  segid "A   " and resid 4    and name HG1%)
      4.300     2.300     1.700 peak   377 weight  0.10000E+01 volume  0.31228E-02 ppm1      3.304 ppm2      0.978 CV     1
 ASSI {  103}
   (( segid "A   " and resid 2    and name HD1 ))
   (  segid "A   " and resid 4    and name HG1%)
      3.500     3.500     2.500 peak   103 weight  0.10000E+01 volume  0.31429E-02 ppm1      7.324 ppm2      0.978 CV     1
 ASSI {   36}
   (( segid "A   " and resid 2    and name HE3 ))
   (  segid "A   " and resid 4    and name HG1%)
      3.800     1.800     1.800 peak    36 weight  0.10000E+01 volume  0.19417E-02 ppm1      7.594 ppm2      0.979 CV     1
 ASSI {   45}
   (( segid "A   " and resid 2    and name HZ2 ))
   (  segid "A   " and resid 4    and name HG1%)
      4.400     2.400     1.600 peak    45 weight  0.10000E+01 volume  0.10810E-02 ppm1      7.515 ppm2      0.979 CV     1
 ASSI {  175}
   (( segid "A   " and resid 2    and name HZ3 ))
   (  segid "A   " and resid 4    and name HG1%)
      3.800     1.800     1.800 peak   175 weight  0.10000E+01 volume  0.14213E-02 ppm1      7.142 ppm2      0.978 CV     1
 ASSI {  312}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 3    and name HB2 ))
      3.100     3.100     2.900 peak   312 weight  0.10000E+01 volume  0.40637E-02 ppm1      4.027 ppm2      1.689 CV     1
 ASSI {  313}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 3    and name HD1 ))
      4.600     2.700     1.400 peak   313 weight  0.10000E+01 volume  0.12611E-02 ppm1      4.029 ppm2      1.530 CV     1
 ASSI {  521}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 3    and name HG2 ))
      3.300     1.400     1.400 peak   521 weight  0.10000E+01 volume  0.80071E-03 ppm1      4.030 ppm2      1.070 CV     1
 ASSI {  440}
   (( segid "A   " and resid 3    and name HA  ))
   (  segid "A   " and resid 4    and name HG2%)
      3.300     3.300     2.700 peak   440 weight  0.10000E+01 volume  0.33430E-02 ppm1      4.182 ppm2      0.945 CV     1
 ASSI {  663}
   (( segid "A   " and resid 3    and name HD1 ))
   (  segid "A   " and resid 4    and name HG2%)
      5.300     3.600     0.700 peak   663 weight  0.10000E+01 volume  0.14012E-02 ppm1      1.557 ppm2      0.947 CV     1
 ASSI {  403}
   (( segid "A   " and resid 3    and name HE1 ))
   (  segid "A   " and resid 4    and name HG2%)
      4.500     2.500     1.500 peak   403 weight  0.10000E+01 volume  0.10009E-02 ppm1      2.887 ppm2      0.945 CV     1
 ASSI {  437}
   (( segid "A   " and resid 3    and name HA  ))
   (  segid "A   " and resid 4    and name HG1%)
      3.300     1.400     1.400 peak   437 weight  0.10000E+01 volume  0.38033E-02 ppm1      4.181 ppm2      0.979 CV     1
 ASSI {  662}
   (( segid "A   " and resid 3    and name HD1 ))
   (  segid "A   " and resid 4    and name HG1%)
      5.000     3.100     1.000 peak   662 weight  0.10000E+01 volume  0.14813E-02 ppm1      1.542 ppm2      0.976 CV     1
 ASSI {  402}
   (( segid "A   " and resid 3    and name HE1 ))
   (  segid "A   " and resid 4    and name HG1%)
      4.300     2.300     1.700 peak   402 weight  0.10000E+01 volume  0.13011E-02 ppm1      2.885 ppm2      0.976 CV     1
 ASSI {  308}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 4    and name HB  ))
      1.600     0.300     0.600 peak   308 weight  0.10000E+01 volume  0.13772E-01 ppm1      4.027 ppm2      2.081 CV     1
 ASSI {  779}
   (( segid "A   " and resid 5    and name HA2 ))
   (( segid "A   " and resid 1    and name HB2 ))
      2.500     2.500     3.500 peak   779 weight  0.10000E+01 volume  0.74066E-03 ppm1      3.866 ppm2      1.918 CV     1
 ASSI {  372}
   (( segid "A   " and resid 5    and name HA1 ))
   (  segid "A   " and resid 4    and name HG1%)
      3.300     1.400     1.400 peak   372 weight  0.10000E+01 volume  0.33631E-02 ppm1      3.923 ppm2      0.946 CV     1
 ASSI {  565}
   (( segid "A   " and resid 5    and name HA2 ))
   (( segid "A   " and resid 4    and name HB  ))
      4.300     2.300     1.700 peak   565 weight  0.10000E+01 volume  0.62055E-03 ppm1      3.855 ppm2      2.084 CV     1
 ASSI {  374}
   (( segid "A   " and resid 5    and name HA2 ))
   (  segid "A   " and resid 4    and name HG1%)
      2.600     0.800     0.800 peak   374 weight  0.10000E+01 volume  0.30427E-02 ppm1      3.859 ppm2      0.945 CV     1
 ASSI {  354}
   (( segid "A   " and resid 6    and name HA  ))
   (  segid "A   " and resid 4    and name HG2%)
      3.700     1.700     1.700 peak   354 weight  0.10000E+01 volume  0.15814E-02 ppm1      4.509 ppm2      0.946 CV     1
 ASSI {  427}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 5    and name HA1 ))
      3.100     1.200     1.200 peak   427 weight  0.10000E+01 volume  0.16815E-02 ppm1      4.509 ppm2      3.922 CV     1
 ASSI {  428}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 5    and name HA2 ))
      3.300     1.400     1.400 peak   428 weight  0.10000E+01 volume  0.13812E-02 ppm1      4.509 ppm2      3.859 CV     1
 ASSI {  316}
   (( segid "A   " and resid 5    and name HA1 ))
   (( segid "A   " and resid 6    and name HB2 ))
      3.700     3.700     2.300 peak   316 weight  0.10000E+01 volume  0.11210E-02 ppm1      3.943 ppm2      2.997 CV     1
 ASSI {   27}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 5    and name HA1 ))
      3.400     3.400     2.600 peak    27 weight  0.10000E+01 volume  0.98087E-03 ppm1      7.108 ppm2      3.921 CV     1
 ASSI {   28}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 5    and name HA2 ))
      4.100     2.100     1.900 peak    28 weight  0.10000E+01 volume  0.10609E-02 ppm1      7.108 ppm2      3.861 CV     1
 ASSI {  504}
   (  segid "A   " and resid 6    and name HE% )
   (( segid "A   " and resid 5    and name HA1 ))
      3.400     3.400     2.600 peak   504 weight  0.10000E+01 volume  0.68060E-03 ppm1      7.331 ppm2      3.922 CV     1
 ASSI {  213}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 6    and name HB2 ))
      2.000     0.500     0.500 peak   213 weight  0.10000E+01 volume  0.37374E-01 ppm1      4.511 ppm2      2.997 CV     1
 ASSI {   25}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 6    and name HA  ))
      2.400     0.700     0.700 peak    25 weight  0.10000E+01 volume  0.10009E-01 ppm1      7.109 ppm2      4.509 CV     1
 ASSI {  178}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 6    and name HB2 ))
      2.000     0.500     0.500 peak   178 weight  0.10000E+01 volume  0.26382E-01 ppm1      7.109 ppm2      2.993 CV     1
 ASSI {    8}
   (  segid "A   " and resid 6    and name HE% )
   (( segid "A   " and resid 6    and name HA  ))
      2.000     2.000     4.000 peak     8 weight  0.10000E+01 volume  0.25022E-02 ppm1      7.326 ppm2      4.509 CV     1
 ASSI {  495}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 7    and name HB1 ))
      4.700     2.800     1.300 peak   495 weight  0.10000E+01 volume  0.60052E-03 ppm1      7.593 ppm2      3.110 CV     1
 ASSI {   32}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "A   " and resid 7    and name HB2 ))
      3.500     1.500     1.500 peak    32 weight  0.10000E+01 volume  0.19617E-02 ppm1      7.595 ppm2      2.996 CV     1
 ASSI {  345}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 3    and name HG2 ))
      2.300     0.700     0.700 peak   345 weight  0.10000E+01 volume  0.17015E-02 ppm1      2.995 ppm2      1.092 CV     1
 ASSI {  147}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 3    and name HB2 ))
      2.400     0.700     0.700 peak   147 weight  0.10000E+01 volume  0.38234E-02 ppm1      7.262 ppm2      1.693 CV     1
 ASSI {   64}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 3    and name HB2 ))
      2.800     0.900     0.900 peak    64 weight  0.10000E+01 volume  0.27224E-02 ppm1      7.359 ppm2      1.697 CV     1
 ASSI {  480}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 3    and name HG2 ))
      4.200     2.200     1.800 peak   480 weight  0.10000E+01 volume  0.68060E-03 ppm1      7.366 ppm2      1.089 CV     1
 ASSI {  351}
   (( segid "A   " and resid 7    and name HA  ))
   (  segid "A   " and resid 4    and name HG2%)
      4.000     2.000     2.000 peak   351 weight  0.10000E+01 volume  0.14413E-02 ppm1      4.555 ppm2      0.948 CV     1
 ASSI {  306}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 7    and name HB1 ))
      3.100     1.200     1.200 peak   306 weight  0.10000E+01 volume  0.98087E-03 ppm1      4.025 ppm2      3.108 CV     1
 ASSI {  392}
   (( segid "A   " and resid 7    and name HB1 ))
   (  segid "A   " and resid 4    and name HG1%)
      4.200     2.200     1.800 peak   392 weight  0.10000E+01 volume  0.11210E-02 ppm1      3.123 ppm2      0.979 CV     1
 ASSI {  307}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 7    and name HB2 ))
      2.100     0.600     0.600 peak   307 weight  0.10000E+01 volume  0.25022E-02 ppm1      4.026 ppm2      2.988 CV     1
 ASSI {  626}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 4    and name HB  ))
      3.800     1.800     1.800 peak   626 weight  0.10000E+01 volume  0.10409E-02 ppm1      2.967 ppm2      2.049 CV     1
 ASSI {  397}
   (( segid "A   " and resid 7    and name HB2 ))
   (  segid "A   " and resid 4    and name HG1%)
      3.100     1.200     1.200 peak   397 weight  0.10000E+01 volume  0.61454E-02 ppm1      2.995 ppm2      0.945 CV     1
 ASSI {   22}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 4    and name HA  ))
      3.700     1.700     1.700 peak    22 weight  0.10000E+01 volume  0.23021E-02 ppm1      7.243 ppm2      4.028 CV     1
 ASSI {   19}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 6    and name HA  ))
      3.600     1.600     1.600 peak    19 weight  0.10000E+01 volume  0.14012E-02 ppm1      7.244 ppm2      4.513 CV     1
 ASSI {  660}
   (( segid "A   " and resid 8    and name HD2 ))
   (  segid "A   " and resid 4    and name HG2%)
      3.000     1.100     1.100 peak   660 weight  0.10000E+01 volume  0.40035E-02 ppm1      1.693 ppm2      0.944 CV     1
 ASSI {  661}
   (( segid "A   " and resid 8    and name HD2 ))
   (  segid "A   " and resid 4    and name HG1%)
      2.800     1.000     1.000 peak   661 weight  0.10000E+01 volume  0.11210E-02 ppm1      1.694 ppm2      0.977 CV     1
 ASSI {  520}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 8    and name HG2 ))
      3.900     1.900     1.900 peak   520 weight  0.10000E+01 volume  0.82072E-03 ppm1      4.032 ppm2      1.346 CV     1
 ASSI {  324}
   (( segid "A   " and resid 5    and name HA2 ))
   (( segid "A   " and resid 8    and name HB1 ))
      4.300     2.300     1.700 peak   324 weight  0.10000E+01 volume  0.16815E-02 ppm1      3.860 ppm2      1.794 CV     1
 ASSI {  321}
   (( segid "A   " and resid 5    and name HA1 ))
   (( segid "A   " and resid 8    and name HD2 ))
      3.700     1.700     1.700 peak   321 weight  0.10000E+01 volume  0.26824E-02 ppm1      3.923 ppm2      1.692 CV     1
 ASSI {  325}
   (( segid "A   " and resid 5    and name HA2 ))
   (( segid "A   " and resid 8    and name HD2 ))
      2.600     0.900     0.900 peak   325 weight  0.10000E+01 volume  0.35831E-02 ppm1      3.854 ppm2      1.691 CV     1
 ASSI {  322}
   (( segid "A   " and resid 5    and name HA1 ))
   (( segid "A   " and resid 8    and name HG2 ))
      4.100     2.200     1.900 peak   322 weight  0.10000E+01 volume  0.10609E-02 ppm1      3.925 ppm2      1.351 CV     1
 ASSI {  326}
   (( segid "A   " and resid 5    and name HA2 ))
   (( segid "A   " and resid 8    and name HG2 ))
      3.600     1.600     1.600 peak   326 weight  0.10000E+01 volume  0.10810E-02 ppm1      3.862 ppm2      1.347 CV     1
 ASSI {  220}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 8    and name HD2 ))
      3.800     1.800     1.800 peak   220 weight  0.10000E+01 volume  0.21219E-02 ppm1      4.509 ppm2      1.620 CV     1
 ASSI {  267}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 7    and name HB1 ))
      3.300     1.400     1.400 peak   267 weight  0.10000E+01 volume  0.27825E-02 ppm1      4.227 ppm2      3.133 CV     1
 ASSI {  204}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 8    and name HB1 ))
      4.200     2.200     1.800 peak   204 weight  0.10000E+01 volume  0.10209E-02 ppm1      4.548 ppm2      1.814 CV     1
 ASSI {  207}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 8    and name HD2 ))
      3.500     3.500     2.500 peak   207 weight  0.10000E+01 volume  0.24222E-02 ppm1      4.552 ppm2      1.689 CV     1
 ASSI {  210}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 8    and name HG2 ))
      3.500     1.500     1.500 peak   210 weight  0.10000E+01 volume  0.13812E-02 ppm1      4.551 ppm2      1.352 CV     1
 ASSI {  272}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "A   " and resid 8    and name HG2 ))
      2.200     2.200     3.800 peak   272 weight  0.10000E+01 volume  0.11950E-01 ppm1      4.228 ppm2      1.341 CV     1
 ASSI {  781}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 9    and name HD1 ))
      4.300     2.300     1.700 peak   781 weight  0.10000E+01 volume  0.70062E-03 ppm1      4.032 ppm2      3.203 CV     1
 ASSI {  782}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 9    and name HD2 ))
      4.600     2.600     1.400 peak   782 weight  0.10000E+01 volume  0.64056E-03 ppm1      4.027 ppm2      3.162 CV     1
 ASSI {  563}
   (( segid "A   " and resid 5    and name HA2 ))
   (( segid "A   " and resid 9    and name HG2 ))
      4.300     2.300     1.700 peak   563 weight  0.10000E+01 volume  0.60052E-03 ppm1      3.852 ppm2      1.639 CV     1
 ASSI {  215}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 9    and name HB2 ))
      4.400     2.400     1.600 peak   215 weight  0.10000E+01 volume  0.12611E-02 ppm1      4.513 ppm2      1.835 CV     1
 ASSI {  212}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 9    and name HD1 ))
      2.400     0.700     0.700 peak   212 weight  0.10000E+01 volume  0.22820E-02 ppm1      4.511 ppm2      3.190 CV     1
 ASSI {  177}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 9    and name HD1 ))
      3.900     1.900     1.900 peak   177 weight  0.10000E+01 volume  0.13011E-02 ppm1      7.110 ppm2      3.191 CV     1
 ASSI {  239}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 8    and name HG2 ))
      3.100     1.200     1.200 peak   239 weight  0.10000E+01 volume  0.31026E-02 ppm1      4.282 ppm2      1.349 CV     1
 ASSI {  237}
   (( segid "A   " and resid 9    and name HA  ))
   (( segid "A   " and resid 9    and name HB2 ))
      2.000     0.500     0.500 peak   237 weight  0.10000E+01 volume  0.18777E-01 ppm1      4.286 ppm2      1.753 CV     1
 ASSI {  179}
   (  segid "A   " and resid 6    and name HD% )
   (( segid "A   " and resid 10   and name HB2 ))
      4.200     2.200     1.800 peak   179 weight  0.10000E+01 volume  0.10009E-02 ppm1      7.115 ppm2      2.885 CV     1
 ASSI {  202}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 10   and name HB2 ))
      3.100     1.200     1.200 peak   202 weight  0.10000E+01 volume  0.23021E-02 ppm1      4.548 ppm2      2.834 CV     1
 ASSI {  459}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 10   and name HB2 ))
      3.700     1.700     1.700 peak   459 weight  0.10000E+01 volume  0.90079E-03 ppm1      7.250 ppm2      2.832 CV     1
 ASSI {   52}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 10   and name HB2 ))
      3.900     3.900     2.100 peak    52 weight  0.10000E+01 volume  0.84075E-03 ppm1      7.359 ppm2      2.838 CV     1
 ASSI {  203}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 10   and name HB1 ))
      3.700     1.700     1.700 peak   203 weight  0.10000E+01 volume  0.21818E-02 ppm1      4.548 ppm2      2.769 CV     1
 ASSI {  458}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 10   and name HB1 ))
      4.200     2.200     1.800 peak   458 weight  0.10000E+01 volume  0.82072E-03 ppm1      7.245 ppm2      2.759 CV     1
 ASSI {  456}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 10   and name HB1 ))
      4.300     2.300     1.700 peak   456 weight  0.10000E+01 volume  0.86075E-03 ppm1      7.360 ppm2      2.751 CV     1
 ASSI {  411}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 10   and name HB2 ))
      2.000     0.500     0.500 peak   411 weight  0.10000E+01 volume  0.24581E-01 ppm1      4.706 ppm2      2.837 CV     1
 ASSI {  412}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 10   and name HB1 ))
      2.200     0.600     0.600 peak   412 weight  0.10000E+01 volume  0.12071E-01 ppm1      4.705 ppm2      2.783 CV     1
 ASSI {  232}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 7    and name HB1 ))
      3.800     3.800     2.200 peak   232 weight  0.10000E+01 volume  0.11210E-02 ppm1      4.288 ppm2      3.124 CV     1
 ASSI {   21}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 11   and name HA  ))
      4.000     2.000     2.000 peak    21 weight  0.10000E+01 volume  0.15213E-02 ppm1      7.252 ppm2      4.285 CV     1
 ASSI {    4}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 11   and name HA  ))
      4.100     2.100     1.900 peak     4 weight  0.10000E+01 volume  0.14413E-02 ppm1      7.358 ppm2      4.283 CV     1
 ASSI {    9}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "A   " and resid 11   and name HA  ))
      4.200     2.200     1.800 peak     9 weight  0.10000E+01 volume  0.13212E-02 ppm1      7.316 ppm2      4.284 CV     1
 ASSI {  189}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 11   and name HB2 ))
      3.900     1.900     1.900 peak   189 weight  0.10000E+01 volume  0.11810E-02 ppm1      4.560 ppm2      1.886 CV     1
 ASSI {   59}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 11   and name HB2 ))
      3.100     1.200     1.200 peak    59 weight  0.10000E+01 volume  0.23421E-02 ppm1      7.361 ppm2      1.917 CV     1
 ASSI {  190}
   (( segid "A   " and resid 7    and name HA  ))
   (( segid "A   " and resid 11   and name HB1 ))
      3.000     1.100     1.100 peak   190 weight  0.10000E+01 volume  0.10209E-02 ppm1      4.552 ppm2      1.849 CV     1
 ASSI {   63}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 11   and name HB1 ))
      3.300     1.400     1.400 peak    63 weight  0.10000E+01 volume  0.14813E-02 ppm1      7.360 ppm2      1.733 CV     1
 ASSI {  162}
   (  segid "A   " and resid 7    and name HD% )
   (( segid "A   " and resid 11   and name HG1 ))
      3.600     1.600     1.600 peak   162 weight  0.10000E+01 volume  0.10609E-02 ppm1      7.232 ppm2      1.591 CV     1
 ASSI {  110}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "A   " and resid 11   and name HG1 ))
      2.800     1.000     1.000 peak   110 weight  0.10000E+01 volume  0.23421E-02 ppm1      7.317 ppm2      1.655 CV     1
 ASSI {  165}
   (( segid "A   " and resid 11   and name HH21))
   (( segid "A   " and resid 7    and name HB2 ))
      2.400     2.400     3.600 peak   165 weight  0.10000E+01 volume  0.96084E-03 ppm1      7.186 ppm2      2.988 CV     1
 ASSI {  227}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 10   and name HB2 ))
      3.800     1.800     1.800 peak   227 weight  0.10000E+01 volume  0.10409E-02 ppm1      4.290 ppm2      2.852 CV     1
 ASSI {  229}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 11   and name HB2 ))
      2.000     2.000     4.000 peak   229 weight  0.10000E+01 volume  0.20078E-01 ppm1      4.290 ppm2      1.906 CV     1
 ASSI {  236}
   (( segid "A   " and resid 11   and name HA  ))
   (( segid "A   " and resid 11   and name HB1 ))
      2.100     0.500     0.500 peak   236 weight  0.10000E+01 volume  0.15434E-01 ppm1      4.287 ppm2      1.838 CV     1
 ASSI {  131}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 12   and name HD2 ))
      3.400     1.500     1.500 peak   131 weight  0.10000E+01 volume  0.22621E-02 ppm1      7.266 ppm2      1.738 CV     1
 ASSI {  139}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 12   and name HE2 ))
      3.800     1.800     1.800 peak   139 weight  0.10000E+01 volume  0.16615E-02 ppm1      7.261 ppm2      3.036 CV     1
 ASSI {  453}
   (( segid "A   " and resid 2    and name HZ2 ))
   (( segid "B   " and resid 12   and name HE2 ))
      4.500     2.600     1.500 peak   453 weight  0.10000E+01 volume  0.90079E-03 ppm1      7.513 ppm2      2.997 CV     1
 ASSI {  149}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 12   and name HG2 ))
      3.100     1.200     1.200 peak   149 weight  0.10000E+01 volume  0.12211E-02 ppm1      7.259 ppm2      1.473 CV     1
 ASSI {  455}
   (( segid "A   " and resid 2    and name HZ2 ))
   (( segid "B   " and resid 12   and name HG2 ))
      4.600     2.600     1.400 peak   455 weight  0.10000E+01 volume  0.92082E-03 ppm1      7.509 ppm2      1.439 CV     1
 ASSI {  348}
   (( segid "A   " and resid 3    and name HE1 ))
   (( segid "B   " and resid 12   and name HB2 ))
      4.200     2.200     1.800 peak   348 weight  0.10000E+01 volume  0.98087E-03 ppm1      2.880 ppm2      1.899 CV     1
 ASSI {  300}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 12   and name HB2 ))
      2.100     0.600     0.600 peak   300 weight  0.10000E+01 volume  0.51045E-02 ppm1      4.038 ppm2      1.924 CV     1
 ASSI {  301}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 12   and name HD2 ))
      3.400     1.500     1.500 peak   301 weight  0.10000E+01 volume  0.19817E-02 ppm1      4.036 ppm2      1.727 CV     1
 ASSI {  299}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 12   and name HE2 ))
      3.800     1.800     1.800 peak   299 weight  0.10000E+01 volume  0.13412E-02 ppm1      4.039 ppm2      3.027 CV     1
 ASSI {  617}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 12   and name HB2 ))
      3.300     1.300     1.300 peak   617 weight  0.10000E+01 volume  0.26824E-02 ppm1      3.025 ppm2      1.927 CV     1
 ASSI {  477}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "B   " and resid 13   and name HD12))
      3.900     3.900     2.100 peak   477 weight  0.10000E+01 volume  0.64056E-03 ppm1      7.593 ppm2      0.916 CV     1
 OR {  477}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  477}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "B   " and resid 13   and name HD13))
 ASSI {  152}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 13   and name HD11))
      2.900     1.000     1.000 peak   152 weight  0.10000E+01 volume  0.25223E-02 ppm1      7.259 ppm2      0.911 CV     1
 OR {  152}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 13   and name HD12))
 OR {  152}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 13   and name HD13))
 ASSI {  450}
   (( segid "A   " and resid 2    and name HZ2 ))
   (( segid "B   " and resid 13   and name HD11))
      3.600     1.600     1.600 peak   450 weight  0.10000E+01 volume  0.84075E-03 ppm1      7.514 ppm2      0.871 CV     1
 OR {  450}
   (( segid "A   " and resid 2    and name HZ2 ))
   (( segid "B   " and resid 13   and name HD12))
 OR {  450}
   (( segid "A   " and resid 2    and name HZ2 ))
   (( segid "B   " and resid 13   and name HD13))
 ASSI {  170}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 13   and name HD12))
      3.800     1.800     1.800 peak   170 weight  0.10000E+01 volume  0.10009E-02 ppm1      7.147 ppm2      0.906 CV     1
 OR {  170}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  170}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 13   and name HD13))
 ASSI {  404}
   (( segid "A   " and resid 3    and name HE1 ))
   (( segid "B   " and resid 13   and name HD12))
      3.600     1.600     1.600 peak   404 weight  0.10000E+01 volume  0.96084E-03 ppm1      2.887 ppm2      0.914 CV     1
 OR {  404}
   (( segid "A   " and resid 3    and name HE1 ))
   (( segid "B   " and resid 13   and name HD11))
 OR {  404}
   (( segid "A   " and resid 3    and name HE1 ))
   (( segid "B   " and resid 13   and name HD13))
 ASSI {  223}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 12   and name HG2 ))
      2.400     0.700     0.700 peak   223 weight  0.10000E+01 volume  0.33430E-02 ppm1      4.413 ppm2      1.406 CV     1
 ASSI {  303}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 13   and name HB2 ))
      4.100     2.100     1.900 peak   303 weight  0.10000E+01 volume  0.16014E-02 ppm1      4.038 ppm2      1.616 CV     1
 ASSI {  357}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 13   and name HD11))
      3.000     1.100     1.100 peak   357 weight  0.10000E+01 volume  0.38234E-02 ppm1      4.430 ppm2      0.916 CV     1
 OR {  357}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 13   and name HD12))
 OR {  357}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 13   and name HD13))
 ASSI {  367}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 14   and name HD21))
      3.100     3.100     2.900 peak   367 weight  0.10000E+01 volume  0.28225E-02 ppm1      4.027 ppm2      0.920 CV     1
 OR {  367}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 14   and name HD23))
 OR {  367}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 14   and name HD22))
 ASSI {  302}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 14   and name HG  ))
      3.700     1.700     1.700 peak   302 weight  0.10000E+01 volume  0.98087E-03 ppm1      4.033 ppm2      1.649 CV     1
 ASSI {  536}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 14   and name HD11))
      3.000     1.100     1.100 peak   536 weight  0.10000E+01 volume  0.22020E-02 ppm1      4.452 ppm2      0.940 CV     1
 OR {  536}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 14   and name HD13))
 OR {  536}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 14   and name HD12))
 ASSI {  355}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 14   and name HD21))
      3.600     1.600     1.600 peak   355 weight  0.10000E+01 volume  0.31829E-02 ppm1      4.457 ppm2      0.879 CV     1
 OR {  355}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 14   and name HD22))
 OR {  355}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 14   and name HD23))
 ASSI {  671}
   (( segid "A   " and resid 8    and name HG2 ))
   (( segid "B   " and resid 15   and name HD11))
      3.900     3.900     2.100 peak   671 weight  0.10000E+01 volume  0.10810E-02 ppm1      1.309 ppm2      0.834 CV     1
 OR {  671}
   (( segid "A   " and resid 8    and name HG2 ))
   (( segid "B   " and resid 15   and name HD13))
 OR {  671}
   (( segid "A   " and resid 8    and name HG2 ))
   (( segid "B   " and resid 15   and name HD12))
 ASSI {  309}
   (( segid "B   " and resid 12   and name HA  ))
   (( segid "B   " and resid 15   and name HB  ))
      4.100     2.100     1.900 peak   309 weight  0.10000E+01 volume  0.10209E-02 ppm1      4.037 ppm2      1.831 CV     1
 ASSI {  522}
   (( segid "B   " and resid 12   and name HA  ))
   (  segid "B   " and resid 15   and name HG1%)
      4.500     2.500     1.500 peak   522 weight  0.10000E+01 volume  0.68060E-03 ppm1      4.035 ppm2      1.150 CV     1
 ASSI {  435}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 15   and name HB  ))
      4.100     2.100     1.900 peak   435 weight  0.10000E+01 volume  0.82072E-03 ppm1      4.432 ppm2      1.795 CV     1
 ASSI {  137}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 16   and name HG23))
      3.800     1.800     1.800 peak   137 weight  0.10000E+01 volume  0.11210E-02 ppm1      7.265 ppm2      1.142 CV     1
 OR {  137}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 16   and name HG22))
 OR {  137}
   (( segid "A   " and resid 2    and name HH2 ))
   (( segid "B   " and resid 16   and name HG21))
 ASSI {  516}
   (( segid "A   " and resid 11   and name HE  ))
   (( segid "B   " and resid 16   and name HG21))
      2.300     2.300     3.700 peak   516 weight  0.10000E+01 volume  0.11610E-02 ppm1      3.207 ppm2      1.144 CV     1
 OR {  516}
   (( segid "A   " and resid 11   and name HE  ))
   (( segid "B   " and resid 16   and name HG22))
 OR {  516}
   (( segid "A   " and resid 11   and name HE  ))
   (( segid "B   " and resid 16   and name HG23))
 ASSI {  344}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 16   and name HG23))
      4.300     2.300     1.700 peak   344 weight  0.10000E+01 volume  0.11610E-02 ppm1      3.008 ppm2      1.147 CV     1
 OR {  344}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 16   and name HG22))
 OR {  344}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 16   and name HG21))
 ASSI {  364}
   (( segid "B   " and resid 16   and name HB  ))
   (( segid "B   " and resid 13   and name HD11))
      4.000     2.000     2.000 peak   364 weight  0.10000E+01 volume  0.10409E-02 ppm1      4.132 ppm2      0.948 CV     1
 OR {  364}
   (( segid "B   " and resid 16   and name HB  ))
   (( segid "B   " and resid 13   and name HD12))
 OR {  364}
   (( segid "B   " and resid 16   and name HB  ))
   (( segid "B   " and resid 13   and name HD13))
 ASSI {  224}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 16   and name HG21))
      2.500     0.800     0.800 peak   224 weight  0.10000E+01 volume  0.58451E-02 ppm1      4.408 ppm2      1.141 CV     1
 OR {  224}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 16   and name HG22))
 OR {  224}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 16   and name HG23))
 ASSI {  292}
   (( segid "B   " and resid 16   and name HB  ))
   (( segid "B   " and resid 16   and name HG22))
      2.200     0.600     0.600 peak   292 weight  0.10000E+01 volume  0.61255E-02 ppm1      4.180 ppm2      1.142 CV     1
 OR {  292}
   (( segid "B   " and resid 16   and name HB  ))
   (( segid "B   " and resid 16   and name HG23))
 OR {  292}
   (( segid "B   " and resid 16   and name HB  ))
   (( segid "B   " and resid 16   and name HG21))
 ASSI {  360}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 17   and name HG21))
      3.800     1.800     1.800 peak   360 weight  0.10000E+01 volume  0.16014E-02 ppm1      4.406 ppm2      0.867 CV     1
 OR {  360}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 17   and name HG23))
 OR {  360}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 17   and name HG22))
 ASSI {  296}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 17   and name HB  ))
      2.600     0.900     0.900 peak   296 weight  0.10000E+01 volume  0.19417E-02 ppm1      4.138 ppm2      1.828 CV     1
 ASSI {  298}
   (( segid "B   " and resid 17   and name HA  ))
   (  segid "B   " and resid 17   and name HG1%)
      3.000     1.100     1.100 peak   298 weight  0.10000E+01 volume  0.14813E-02 ppm1      4.140 ppm2      1.143 CV     1
 ASSI {  483}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 17   and name HG21))
      3.100     1.200     1.200 peak   483 weight  0.10000E+01 volume  0.28225E-02 ppm1      4.136 ppm2      0.868 CV     1
 OR {  483}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 17   and name HG23))
 OR {  483}
   (( segid "B   " and resid 17   and name HA  ))
   (( segid "B   " and resid 17   and name HG22))
 ASSI {  384}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 14   and name HD11))
      3.600     1.600     1.600 peak   384 weight  0.10000E+01 volume  0.18416E-02 ppm1      3.191 ppm2      0.945 CV     1
 OR {  384}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 14   and name HD12))
 ASSI {   15}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HA  ))
      3.600     1.600     1.600 peak    15 weight  0.10000E+01 volume  0.98087E-03 ppm1      7.258 ppm2      4.443 CV     1
 ASSI {  113}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HD11))
      2.800     1.000     1.000 peak   113 weight  0.10000E+01 volume  0.23220E-02 ppm1      7.319 ppm2      0.915 CV     1
 OR {  113}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HD12))
 ASSI {   98}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 14   and name HG  ))
      2.100     2.100     3.900 peak    98 weight  0.10000E+01 volume  0.18416E-02 ppm1      7.323 ppm2      1.602 CV     1
 ASSI {  381}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 15   and name HD13))
      3.500     1.500     1.500 peak   381 weight  0.10000E+01 volume  0.22820E-02 ppm1      3.209 ppm2      0.861 CV     1
 OR {  381}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 15   and name HD12))
 OR {  381}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {   83}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HB  ))
      3.400     3.400     2.600 peak    83 weight  0.10000E+01 volume  0.18416E-02 ppm1      7.332 ppm2      1.835 CV     1
 ASSI {  153}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD13))
      3.500     1.500     1.500 peak   153 weight  0.10000E+01 volume  0.26824E-02 ppm1      7.258 ppm2      0.839 CV     1
 OR {  153}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD12))
 OR {  153}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  413}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 18   and name HB2 ))
      2.900     1.000     1.000 peak   413 weight  0.10000E+01 volume  0.14613E-02 ppm1      4.712 ppm2      3.158 CV     1
 ASSI {  107}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 18   and name HB1 ))
      2.800     1.000     1.000 peak   107 weight  0.10000E+01 volume  0.17015E-02 ppm1      7.316 ppm2      3.215 CV     1
 ASSI {  487}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 15   and name HG22))
      2.400     2.400     3.600 peak   487 weight  0.10000E+01 volume  0.84075E-03 ppm1      2.766 ppm2      0.905 CV     1
 OR {  487}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 15   and name HG21))
 OR {  487}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 15   and name HG23))
 ASSI {   81}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 19   and name HB2 ))
      3.500     1.600     1.600 peak    81 weight  0.10000E+01 volume  0.11610E-02 ppm1      7.330 ppm2      2.777 CV     1
 ASSI {  418}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 19   and name HB2 ))
      2.600     0.800     0.800 peak   418 weight  0.10000E+01 volume  0.28825E-02 ppm1      4.621 ppm2      2.746 CV     1
 ASSI {  386}
   (( segid "B   " and resid 20   and name HD2 ))
   (( segid "B   " and resid 17   and name HD12))
      2.900     1.000     1.000 peak   386 weight  0.10000E+01 volume  0.10209E-02 ppm1      3.190 ppm2      0.795 CV     1
 ASSI {  243}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 19   and name HB1 ))
      3.500     1.500     1.500 peak   243 weight  0.10000E+01 volume  0.12611E-02 ppm1      4.260 ppm2      2.718 CV     1
 ASSI {  254}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 20   and name HB2 ))
      1.800     1.800     4.200 peak   254 weight  0.10000E+01 volume  0.18596E-01 ppm1      4.242 ppm2      1.916 CV     1
 ASSI {  408}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 21   and name HB1 ))
      2.900     1.100     1.100 peak   408 weight  0.10000E+01 volume  0.15213E-02 ppm1      4.706 ppm2      1.845 CV     1
 ASSI {  109}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 21   and name HB1 ))
      3.500     1.500     1.500 peak   109 weight  0.10000E+01 volume  0.19017E-02 ppm1      7.319 ppm2      1.768 CV     1
 ASSI {  112}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 21   and name HG2 ))
      3.800     3.800     2.200 peak   112 weight  0.10000E+01 volume  0.11410E-02 ppm1      7.316 ppm2      1.368 CV     1
 ASSI {  133}
   (( segid "B   " and resid 18   and name HD2 ))
   (( segid "B   " and resid 21   and name HG2 ))
      3.600     3.600     2.400 peak   133 weight  0.10000E+01 volume  0.26222E-02 ppm1      7.265 ppm2      1.439 CV     1
 ASSI {  434}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 21   and name HB1 ))
      4.000     2.000     2.000 peak   434 weight  0.10000E+01 volume  0.86075E-03 ppm1      4.620 ppm2      1.828 CV     1
 ASSI {   82}
   (( segid "B   " and resid 18   and name HD1 ))
   (( segid "B   " and resid 22   and name HG1 ))
      4.000     2.000     2.000 peak    82 weight  0.10000E+01 volume  0.10409E-02 ppm1      7.332 ppm2      2.276 CV     1
 ASSI {  245}
   (( segid "B   " and resid 20   and name HA  ))
   (( segid "B   " and resid 22   and name HG1 ))
      3.300     1.300     1.300 peak   245 weight  0.10000E+01 volume  0.12211E-02 ppm1      4.246 ppm2      2.232 CV     1
 ASSI {  249}
   (( segid "B   " and resid 22   and name HA  ))
   (( segid "B   " and resid 22   and name HG1 ))
      3.200     1.300     1.300 peak   249 weight  0.10000E+01 volume  0.30827E-02 ppm1      4.238 ppm2      2.279 CV     1
 ASSI {   13}
   (  segid "B   " and resid 23   and name HD% )
   (( segid "B   " and resid 23   and name HA  ))
      3.000     1.100     1.100 peak    13 weight  0.10000E+01 volume  0.21018E-02 ppm1      7.265 ppm2      4.570 CV     1
 ASSI {   74}
   (  segid "B   " and resid 23   and name HE% )
   (( segid "B   " and resid 23   and name HB2 ))
      4.200     2.200     1.800 peak    74 weight  0.10000E+01 volume  0.11610E-02 ppm1      7.353 ppm2      3.063 CV     1
 ASSI {  209}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 24   and name HB3 ))
      3.900     1.900     1.900 peak   209 weight  0.10000E+01 volume  0.15213E-02 ppm1      4.550 ppm2      1.399 CV     1
 OR {  209}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 24   and name HB1 ))
 OR {  209}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 24   and name HB2 ))
 ASSI {  280}
   (( segid "B   " and resid 24   and name HA  ))
   (( segid "B   " and resid 24   and name HB1 ))
      2.100     0.600     0.600 peak   280 weight  0.10000E+01 volume  0.63256E-02 ppm1      4.201 ppm2      1.438 CV     1
 OR {  280}
   (( segid "B   " and resid 24   and name HA  ))
   (( segid "B   " and resid 24   and name HB2 ))
 OR {  280}
   (( segid "B   " and resid 24   and name HA  ))
   (( segid "B   " and resid 24   and name HB3 ))
 ASSI {  205}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 25   and name HB2 ))
      4.500     2.600     1.500 peak   205 weight  0.10000E+01 volume  0.16615E-02 ppm1      4.550 ppm2      1.792 CV     1
 ASSI {  208}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 25   and name HD1 ))
      3.400     1.400     1.400 peak   208 weight  0.10000E+01 volume  0.18016E-02 ppm1      4.552 ppm2      1.636 CV     1
 ASSI {  206}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 25   and name HB2 ))
      3.200     1.300     1.300 peak   206 weight  0.10000E+01 volume  0.11610E-02 ppm1      4.549 ppm2      1.775 CV     1
 ASSI {  145}
   (  segid "B   " and resid 26   and name HD% )
   (( segid "B   " and resid 25   and name HB2 ))
      2.700     2.700     3.300 peak   145 weight  0.10000E+01 volume  0.23620E-02 ppm1      7.259 ppm2      1.796 CV     1
 ASSI {   65}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 25   and name HD1 ))
      2.000     2.000     4.000 peak    65 weight  0.10000E+01 volume  0.25623E-02 ppm1      7.358 ppm2      1.634 CV     1
 ASSI {  751}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 22   and name HG2 ))
      2.400     2.400     3.600 peak   751 weight  0.10000E+01 volume  0.88078E-03 ppm1      2.420 ppm2      2.182 CV     1
 ASSI {  518}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 27   and name HG1 ))
      3.700     1.700     1.700 peak   518 weight  0.10000E+01 volume  0.78068E-03 ppm1      4.543 ppm2      2.414 CV     1
 ASSI {  253}
   (( segid "B   " and resid 24   and name HA  ))
   (( segid "B   " and resid 27   and name HB2 ))
      1.700     0.300     0.500 peak   253 weight  0.10000E+01 volume  0.32028E-02 ppm1      4.238 ppm2      2.011 CV     1
 ASSI {  462}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 27   and name HG1 ))
      4.000     2.000     2.000 peak   462 weight  0.10000E+01 volume  0.88078E-03 ppm1      7.359 ppm2      2.361 CV     1
 ASSI {  517}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 27   and name HG2 ))
      4.500     2.600     1.500 peak   517 weight  0.10000E+01 volume  0.70062E-03 ppm1      4.561 ppm2      2.281 CV     1
 ASSI {  278}
   (( segid "B   " and resid 28   and name HA  ))
   (( segid "B   " and resid 28   and name HB2 ))
      2.800     1.000     1.000 peak   278 weight  0.10000E+01 volume  0.51646E-02 ppm1      4.201 ppm2      2.102 CV     1
 ASSI {  284}
   (( segid "B   " and resid 28   and name HA  ))
   (( segid "B   " and resid 28   and name HG2 ))
      2.600     0.800     0.800 peak   284 weight  0.10000E+01 volume  0.45041E-02 ppm1      4.200 ppm2      2.367 CV     1
 ASSI {  188}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 29   and name HB2 ))
      3.000     1.100     1.100 peak   188 weight  0.10000E+01 volume  0.17415E-02 ppm1      4.561 ppm2      2.049 CV     1
 ASSI {  279}
   (( segid "B   " and resid 29   and name HA  ))
   (( segid "B   " and resid 29   and name HB2 ))
      2.700     0.900     0.900 peak   279 weight  0.10000E+01 volume  0.65659E-02 ppm1      4.202 ppm2      2.052 CV     1
 ASSI {  191}
   (( segid "B   " and resid 26   and name HA  ))
   (( segid "B   " and resid 30   and name HB1 ))
      4.300     2.400     1.700 peak   191 weight  0.10000E+01 volume  0.12811E-02 ppm1      4.562 ppm2      1.767 CV     1
 ASSI {  281}
   (( segid "B   " and resid 30   and name HA  ))
   (( segid "B   " and resid 30   and name HD2 ))
      4.200     2.200     1.800 peak   281 weight  0.10000E+01 volume  0.12411E-02 ppm1      4.193 ppm2      3.107 CV     1
 ASSI {   77}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 31   and name HB1 ))
      3.800     1.800     1.800 peak    77 weight  0.10000E+01 volume  0.12811E-02 ppm1      7.356 ppm2      1.344 CV     1
 OR {   77}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 31   and name HB3 ))
 OR {   77}
   (  segid "B   " and resid 26   and name HE% )
   (( segid "B   " and resid 31   and name HB2 ))
 ASSI {  266}
   (( segid "B   " and resid 32   and name HA  ))
   (( segid "B   " and resid 32   and name HD2 ))
      2.200     0.600     0.600 peak   266 weight  0.10000E+01 volume  0.60653E-02 ppm1      4.229 ppm2      3.179 CV     1
 ASSI {  263}
   (( segid "B   " and resid 32   and name HA  ))
   (( segid "B   " and resid 32   and name HG2 ))
      2.000     0.500     0.500 peak   263 weight  0.10000E+01 volume  0.10689E-01 ppm1      4.231 ppm2      1.639 CV     1
 ASSI {  264}
   (( segid "B   " and resid 32   and name HA  ))
   (( segid "B   " and resid 33   and name HB3 ))
      3.800     1.800     1.800 peak   264 weight  0.10000E+01 volume  0.18416E-02 ppm1      4.235 ppm2      1.543 CV     1
 OR {  264}
   (( segid "B   " and resid 32   and name HA  ))
   (( segid "B   " and resid 33   and name HB1 ))
 OR {  264}
   (( segid "B   " and resid 32   and name HA  ))
   (( segid "B   " and resid 33   and name HB2 ))
 ASSI {  256}
   (( segid "B   " and resid 31   and name HA  ))
   (( segid "B   " and resid 34   and name HG1 ))
      2.000     0.500     0.500 peak   256 weight  0.10000E+01 volume  0.10769E-01 ppm1      4.237 ppm2      1.309 CV     1
 ASSI {  829}
   (( segid "B   " and resid 32   and name HB1 ))
   (( segid "B   " and resid 34   and name HG1 ))
      3.700     1.700     1.700 peak   829 weight  0.10000E+01 volume  0.15814E-02 ppm1      1.873 ppm2      1.315 CV     1
 ASSI {  135}
   (( segid "B   " and resid 35   and name HH2 ))
   (( segid "B   " and resid 31   and name HB1 ))
      2.200     2.200     3.800 peak   135 weight  0.10000E+01 volume  0.16214E-02 ppm1      7.263 ppm2      1.346 CV     1
 OR {  135}
   (( segid "B   " and resid 35   and name HH2 ))
   (( segid "B   " and resid 31   and name HB2 ))
 OR {  135}
   (( segid "B   " and resid 35   and name HH2 ))
   (( segid "B   " and resid 31   and name HB3 ))
 ASSI {  475}
   (( segid "B   " and resid 35   and name HZ2 ))
   (( segid "B   " and resid 31   and name HB1 ))
      3.500     1.600     1.600 peak   475 weight  0.10000E+01 volume  0.64056E-03 ppm1      7.510 ppm2      1.357 CV     1
 OR {  475}
   (( segid "B   " and resid 35   and name HZ2 ))
   (( segid "B   " and resid 31   and name HB2 ))
 ASSI {  579}
   (( segid "B   " and resid 35   and name HB2 ))
   (( segid "B   " and resid 32   and name HD2 ))
      3.200     1.300     1.300 peak   579 weight  0.10000E+01 volume  0.66059E-03 ppm1      3.338 ppm2      3.165 CV     1
 ASSI {  130}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HB1 ))
      3.800     1.800     1.800 peak   130 weight  0.10000E+01 volume  0.24222E-02 ppm1      7.262 ppm2      1.827 CV     1
 ASSI {  146}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.800     1.800     1.800 peak   146 weight  0.10000E+01 volume  0.26023E-02 ppm1      7.261 ppm2      1.770 CV     1
 ASSI {  420}
   (( segid "B   " and resid 35   and name HE3 ))
   (( segid "B   " and resid 32   and name HA  ))
      3.800     1.800     1.800 peak   420 weight  0.10000E+01 volume  0.82072E-03 ppm1      7.662 ppm2      4.237 CV     1
 ASSI {  497}
   (( segid "B   " and resid 35   and name HZ2 ))
   (( segid "B   " and resid 32   and name HD2 ))
      2.500     2.500     3.500 peak   497 weight  0.10000E+01 volume  0.60052E-03 ppm1      7.510 ppm2      3.160 CV     1
 ASSI {   47}
   (( segid "B   " and resid 35   and name HZ2 ))
   (( segid "B   " and resid 32   and name HG2 ))
      2.300     2.300     3.700 peak    47 weight  0.10000E+01 volume  0.10009E-02 ppm1      7.511 ppm2      1.629 CV     1
 ASSI {  286}
   (( segid "B   " and resid 33   and name HA  ))
   (( segid "B   " and resid 35   and name HB2 ))
      3.600     1.600     1.600 peak   286 weight  0.10000E+01 volume  0.20418E-02 ppm1      4.183 ppm2      3.306 CV     1
 ASSI {  331}
   (( segid "B   " and resid 35   and name HB2 ))
   (( segid "B   " and resid 33   and name HB1 ))
      3.100     3.100     2.900 peak   331 weight  0.10000E+01 volume  0.82273E-02 ppm1      3.334 ppm2      1.524 CV     1
 OR {  331}
   (( segid "B   " and resid 35   and name HB2 ))
   (( segid "B   " and resid 33   and name HB2 ))
 OR {  331}
   (( segid "B   " and resid 35   and name HB2 ))
   (( segid "B   " and resid 33   and name HB3 ))
 ASSI {  335}
   (( segid "B   " and resid 35   and name HB2 ))
   (( segid "B   " and resid 34   and name HB2 ))
      3.600     1.600     1.600 peak   335 weight  0.10000E+01 volume  0.17615E-02 ppm1      3.304 ppm2      1.702 CV     1
 ASSI {  499}
   (( segid "B   " and resid 35   and name HE3 ))
   (( segid "B   " and resid 34   and name HB2 ))
      3.300     1.400     1.400 peak   499 weight  0.10000E+01 volume  0.64056E-03 ppm1      7.665 ppm2      1.697 CV     1
 ASSI {  136}
   (( segid "B   " and resid 35   and name HH2 ))
   (( segid "B   " and resid 34   and name HG1 ))
      2.000     2.000     4.000 peak   136 weight  0.10000E+01 volume  0.26023E-02 ppm1      7.266 ppm2      1.309 CV     1
 ASSI {  166}
   (( segid "B   " and resid 35   and name HZ3 ))
   (( segid "B   " and resid 34   and name HB2 ))
      3.200     1.300     1.300 peak   166 weight  0.10000E+01 volume  0.96084E-03 ppm1      7.177 ppm2      1.686 CV     1
 ASSI {  174}
   (( segid "B   " and resid 35   and name HZ3 ))
   (( segid "B   " and resid 34   and name HD2 ))
      2.400     2.400     3.600 peak   174 weight  0.10000E+01 volume  0.92082E-03 ppm1      7.143 ppm2      1.620 CV     1
 ASSI {  415}
   (( segid "B   " and resid 35   and name HA  ))
   (( segid "B   " and resid 35   and name HB2 ))
      3.000     1.100     1.100 peak   415 weight  0.10000E+01 volume  0.39034E-02 ppm1      4.708 ppm2      3.292 CV     1
 ASSI {  423}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 35   and name HA  ))
      4.300     2.300     1.700 peak   423 weight  0.10000E+01 volume  0.88078E-03 ppm1      7.269 ppm2      4.704 CV     1
 ASSI {  636}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 36   and name HB2 ))
      3.300     1.300     1.300 peak   636 weight  0.10000E+01 volume  0.12411E-02 ppm1      3.180 ppm2      2.538 CV     1
 ASSI {  261}
   (( segid "B   " and resid 34   and name HA  ))
   (( segid "B   " and resid 36   and name HB2 ))
      3.500     1.600     1.600 peak   261 weight  0.10000E+01 volume  0.13612E-02 ppm1      4.231 ppm2      2.537 CV     1
 ASSI {  719}
   (( segid "B   " and resid 36   and name HB2 ))
   (( segid "B   " and resid 34   and name HG1 ))
      2.500     2.500     3.500 peak   719 weight  0.10000E+01 volume  0.74066E-03 ppm1      2.530 ppm2      1.311 CV     1
 ASSI {  193}
   (( segid "B   " and resid 36   and name HA  ))
   (( segid "B   " and resid 35   and name HB2 ))
      3.300     1.400     1.400 peak   193 weight  0.10000E+01 volume  0.12811E-02 ppm1      4.555 ppm2      3.305 CV     1
 ASSI {  124}
   (( segid "B   " and resid 35   and name HD1 ))
   (( segid "B   " and resid 36   and name HB2 ))
      4.300     2.300     1.700 peak   124 weight  0.10000E+01 volume  0.98087E-03 ppm1      7.267 ppm2      2.531 CV     1
 ASSI {   60}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 11   and name HB2 ))
      3.700     1.700     1.700 peak    60 weight  0.10000E+01 volume  0.80071E-03 ppm1      7.357 ppm2      1.873 CV     1
 OR {   60}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "A   " and resid 11   and name HB1 ))
 ASSI {  167}
   (( segid "A   " and resid 11   and name HH21))
   (( segid "A   " and resid 11   and name HE  ))
      3.100     1.200     1.200 peak   167 weight  0.10000E+01 volume  0.92082E-03 ppm1      7.152 ppm2      3.198 CV     1
 OR {  167}
   (( segid "A   " and resid 11   and name HH21))
   (( segid "A   " and resid 11   and name HD2 ))
 ASSI {  192}
   (( segid "A   " and resid 6    and name HA  ))
   (( segid "A   " and resid 8    and name HG2 ))
      4.000     2.000     2.000 peak   192 weight  0.10000E+01 volume  0.10609E-02 ppm1      4.560 ppm2      1.321 CV     1
 ASSI {  353}
   (( segid "B   " and resid 14   and name HA  ))
   (( segid "B   " and resid 14   and name HD11))
      3.000     1.100     1.100 peak   353 weight  0.10000E+01 volume  0.12211E-02 ppm1      4.509 ppm2      0.977 CV     1
 ASSI {  361}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
      3.900     1.900     1.900 peak   361 weight  0.10000E+01 volume  0.10409E-02 ppm1      4.373 ppm2      0.906 CV     1
 OR {  361}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  405}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 21   and name HD1 ))
      2.800     1.000     1.000 peak   405 weight  0.10000E+01 volume  0.23421E-02 ppm1      4.706 ppm2      1.668 CV     1
 ASSI {  410}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 11   and name HB2 ))
      3.800     1.800     1.800 peak   410 weight  0.10000E+01 volume  0.14012E-02 ppm1      4.703 ppm2      1.895 CV     1
 OR {  410}
   (( segid "A   " and resid 10   and name HA  ))
   (( segid "A   " and resid 11   and name HB1 ))
 ASSI {  421}
   (( segid "B   " and resid 18   and name HA  ))
   (( segid "B   " and resid 17   and name HG21))
      4.000     2.000     2.000 peak   421 weight  0.10000E+01 volume  0.13412E-02 ppm1      4.706 ppm2      0.864 CV     1
 ASSI {  431}
   (( segid "B   " and resid 16   and name HA  ))
   (( segid "A   " and resid 8    and name HA  ))
      2.900     1.000     1.000 peak   431 weight  0.10000E+01 volume  0.10209E-02 ppm1      4.371 ppm2      4.199 CV     1
 ASSI {  451}
   (( segid "A   " and resid 2    and name HZ2 ))
   (( segid "B   " and resid 17   and name HG21))
      3.800     1.800     1.800 peak   451 weight  0.10000E+01 volume  0.82072E-03 ppm1      7.513 ppm2      0.838 CV     1
 OR {  451}
   (( segid "A   " and resid 2    and name HZ2 ))
   (( segid "B   " and resid 17   and name HD11))
 ASSI {  466}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "A   " and resid 7    and name HB1 ))
      4.200     2.200     1.800 peak   466 weight  0.10000E+01 volume  0.82072E-03 ppm1      7.186 ppm2      3.109 CV     1
 ASSI {  481}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 17   and name HG21))
      3.600     1.600     1.600 peak   481 weight  0.10000E+01 volume  0.74066E-03 ppm1      7.136 ppm2      0.847 CV     1
 OR {  481}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 17   and name HD11))
 ASSI {  502}
   (( segid "A   " and resid 3    and name HN  ))
   (  segid "A   " and resid 4    and name HG2%)
      3.900     1.900     1.900 peak   502 weight  0.10000E+01 volume  0.72063E-03 ppm1      7.663 ppm2      0.944 CV     1
 ASSI {  526}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "B   " and resid 17   and name HG21))
      4.100     2.100     1.900 peak   526 weight  0.10000E+01 volume  0.82072E-03 ppm1      2.082 ppm2      0.819 CV     1
 OR {  526}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "B   " and resid 17   and name HD11))
 ASSI {  534}
   (( segid "B   " and resid 19   and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
      4.600     2.600     1.400 peak   534 weight  0.10000E+01 volume  0.90079E-03 ppm1      4.561 ppm2      0.842 CV     1
 ASSI {  543}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "B   " and resid 15   and name HG21))
      2.700     0.900     0.900 peak   543 weight  0.10000E+01 volume  0.20418E-02 ppm1      4.240 ppm2      0.865 CV     1
 OR {  543}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "B   " and resid 15   and name HD11))
 ASSI {  545}
   (( segid "B   " and resid 16   and name HB  ))
   (( segid "B   " and resid 17   and name HG21))
      3.300     1.400     1.400 peak   545 weight  0.10000E+01 volume  0.70062E-03 ppm1      4.204 ppm2      0.808 CV     1
 ASSI {  546}
   (( segid "A   " and resid 8    and name HA  ))
   (( segid "B   " and resid 17   and name HG21))
      4.200     2.200     1.800 peak   546 weight  0.10000E+01 volume  0.10209E-02 ppm1      4.237 ppm2      0.802 CV     1
 ASSI {  548}
   (( segid "A   " and resid 9    and name HA  ))
   (  segid "B   " and resid 15   and name HG1%)
      3.500     1.500     1.500 peak   548 weight  0.10000E+01 volume  0.82072E-03 ppm1      4.305 ppm2      1.200 CV     1
 ASSI {  555}
   (( segid "B   " and resid 36   and name HA  ))
   (( segid "B   " and resid 33   and name HB1 ))
      5.100     3.200     0.900 peak   555 weight  0.10000E+01 volume  0.68060E-03 ppm1      4.558 ppm2      1.476 CV     1
 ASSI {  564}
   (( segid "A   " and resid 5    and name HA1 ))
   (( segid "A   " and resid 1    and name HE1 ))
      4.500     2.500     1.500 peak   564 weight  0.10000E+01 volume  0.70062E-03 ppm1      3.930 ppm2      2.078 CV     1
 ASSI {  569}
   (( segid "B   " and resid 35   and name HB2 ))
   (( segid "B   " and resid 34   and name HG1 ))
      4.400     2.500     1.600 peak   569 weight  0.10000E+01 volume  0.72063E-03 ppm1      3.310 ppm2      1.315 CV     1
 ASSI {  572}
   (( segid "B   " and resid 35   and name HB2 ))
   (( segid "B   " and resid 32   and name HB1 ))
      4.400     2.400     1.600 peak   572 weight  0.10000E+01 volume  0.82072E-03 ppm1      3.303 ppm2      1.803 CV     1
 OR {  572}
   (( segid "B   " and resid 35   and name HB2 ))
   (( segid "B   " and resid 32   and name HB2 ))
 ASSI {  573}
   (( segid "B   " and resid 35   and name HB2 ))
   (( segid "B   " and resid 32   and name HB2 ))
      4.800     2.800     1.200 peak   573 weight  0.10000E+01 volume  0.68060E-03 ppm1      3.296 ppm2      1.771 CV     1
 ASSI {  577}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "A   " and resid 7    and name HB2 ))
      4.400     2.500     1.600 peak   577 weight  0.10000E+01 volume  0.13812E-02 ppm1      3.304 ppm2      3.005 CV     1
 ASSI {  581}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 18   and name HB2 ))
      2.000     0.500     0.500 peak   581 weight  0.10000E+01 volume  0.52047E-02 ppm1      3.259 ppm2      3.175 CV     1
 ASSI {  590}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "B   " and resid 17   and name HG21))
      4.200     2.200     1.800 peak   590 weight  0.10000E+01 volume  0.66059E-03 ppm1      3.093 ppm2      0.833 CV     1
 OR {  590}
   (( segid "A   " and resid 7    and name HB1 ))
   (( segid "B   " and resid 17   and name HD11))
 ASSI {  592}
   (( segid "A   " and resid 3    and name HE1 ))
   (( segid "B   " and resid 17   and name HD11))
      3.300     1.400     1.400 peak   592 weight  0.10000E+01 volume  0.70062E-03 ppm1      2.891 ppm2      0.857 CV     1
 ASSI {  594}
   (( segid "A   " and resid 9    and name HD2 ))
   (( segid "A   " and resid 8    and name HG2 ))
      2.700     0.900     0.900 peak   594 weight  0.10000E+01 volume  0.94083E-03 ppm1      3.173 ppm2      1.312 CV     1
 OR {  594}
   (( segid "A   " and resid 9    and name HD1 ))
   (( segid "A   " and resid 8    and name HG2 ))
 ASSI {  604}
   (( segid "B   " and resid 32   and name HD2 ))
   (( segid "B   " and resid 33   and name HB1 ))
      3.600     1.600     1.600 peak   604 weight  0.10000E+01 volume  0.78068E-03 ppm1      3.187 ppm2      1.472 CV     1
 ASSI {  637}
   (( segid "B   " and resid 18   and name HB1 ))
   (( segid "B   " and resid 19   and name HB1 ))
      3.700     1.700     1.700 peak   637 weight  0.10000E+01 volume  0.11810E-02 ppm1      3.186 ppm2      2.650 CV     1
 OR {  637}
   (( segid "B   " and resid 18   and name HB2 ))
   (( segid "B   " and resid 19   and name HB1 ))
 ASSI {  644}
   (( segid "A   " and resid 7    and name HB2 ))
   (( segid "A   " and resid 3    and name HD1 ))
      3.800     1.800     1.800 peak   644 weight  0.10000E+01 volume  0.23421E-02 ppm1      2.993 ppm2      1.531 CV     1
 ASSI {  645}
   (( segid "B   " and resid 12   and name HE2 ))
   (( segid "B   " and resid 12   and name HG2 ))
      2.900     1.100     1.100 peak   645 weight  0.10000E+01 volume  0.38835E-02 ppm1      3.017 ppm2      1.447 CV     1
 ASSI {  648}
   (( segid "A   " and resid 8    and name HE2 ))
   (( segid "A   " and resid 8    and name HG2 ))
      2.900     1.100     1.100 peak   648 weight  0.10000E+01 volume  0.37632E-02 ppm1      2.956 ppm2      1.307 CV     1
 ASSI {  649}
   (( segid "A   " and resid 3    and name HE1 ))
   (( segid "B   " and resid 12   and name HG2 ))
      4.000     2.000     2.000 peak   649 weight  0.10000E+01 volume  0.72063E-03 ppm1      2.879 ppm2      1.459 CV     1
 ASSI {  652}
   (( segid "B   " and resid 19   and name HB1 ))
   (( segid "B   " and resid 24   and name HB1 ))
      3.200     1.300     1.300 peak   652 weight  0.10000E+01 volume  0.68060E-03 ppm1      2.724 ppm2      1.466 CV     1
 ASSI {  656}
   (( segid "B   " and resid 15   and name HB  ))
   (( segid "B   " and resid 15   and name HD11))
      3.400     1.400     1.400 peak   656 weight  0.10000E+01 volume  0.29426E-02 ppm1      1.826 ppm2      0.835 CV     1
 ASSI {  665}
   (( segid "B   " and resid 12   and name HG2 ))
   (  segid "A   " and resid 4    and name HG2%)
      3.700     1.700     1.700 peak   665 weight  0.10000E+01 volume  0.14613E-02 ppm1      1.442 ppm2      0.955 CV     1
 OR {  665}
   (( segid "B   " and resid 12   and name HG2 ))
   (  segid "A   " and resid 4    and name HG1%)
 ASSI {  669}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 17   and name HG21))
      2.300     0.700     0.700 peak   669 weight  0.10000E+01 volume  0.29426E-02 ppm1      1.399 ppm2      0.839 CV     1
 ASSI {  676}
   (( segid "B   " and resid 12   and name HG2 ))
   (  segid "A   " and resid 4    and name HG1%)
      4.500     2.500     1.500 peak   676 weight  0.10000E+01 volume  0.62055E-03 ppm1      1.446 ppm2      1.023 CV     1
 ASSI {  677}
   (( segid "B   " and resid 13   and name HG  ))
   (( segid "B   " and resid 17   and name HG21))
      3.500     1.600     1.600 peak   677 weight  0.10000E+01 volume  0.92082E-03 ppm1      1.621 ppm2      0.806 CV     1
 ASSI {  678}
   (( segid "B   " and resid 12   and name HD2 ))
   (( segid "B   " and resid 17   and name HG21))
      3.700     1.700     1.700 peak   678 weight  0.10000E+01 volume  0.86075E-03 ppm1      1.727 ppm2      0.806 CV     1
 ASSI {  685}
   (( segid "A   " and resid 8    and name HB1 ))
   (  segid "A   " and resid 4    and name HG1%)
      4.800     2.800     1.200 peak   685 weight  0.10000E+01 volume  0.66059E-03 ppm1      1.799 ppm2      0.984 CV     1
 ASSI {  686}
   (( segid "A   " and resid 3    and name HD1 ))
   (( segid "A   " and resid 3    and name HG2 ))
      2.400     0.700     0.700 peak   686 weight  0.10000E+01 volume  0.81472E-02 ppm1      1.546 ppm2      1.074 CV     1
 ASSI {  687}
   (( segid "A   " and resid 3    and name HB2 ))
   (( segid "A   " and resid 3    and name HG2 ))
      2.100     0.600     0.600 peak   687 weight  0.10000E+01 volume  0.88478E-02 ppm1      1.697 ppm2      1.083 CV     1
 ASSI {  690}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "B   " and resid 16   and name HG21))
      3.600     1.600     1.600 peak   690 weight  0.10000E+01 volume  0.90079E-03 ppm1      1.447 ppm2      1.104 CV     1
 ASSI {  691}
   (( segid "B   " and resid 12   and name HG2 ))
   (( segid "A   " and resid 3    and name HG2 ))
      4.300     2.300     1.700 peak   691 weight  0.10000E+01 volume  0.84075E-03 ppm1      1.446 ppm2      1.064 CV     1
 ASSI {  697}
   (( segid "B   " and resid 15   and name HB  ))
   (  segid "B   " and resid 15   and name HG1%)
      3.000     1.100     1.100 peak   697 weight  0.10000E+01 volume  0.14613E-02 ppm1      1.823 ppm2      1.142 CV     1
 ASSI {  704}
   (( segid "A   " and resid 3    and name HB2 ))
   (( segid "A   " and resid 3    and name HD1 ))
      2.300     2.300     3.700 peak   704 weight  0.10000E+01 volume  0.29126E-01 ppm1      1.698 ppm2      1.536 CV     1
 ASSI {  708}
   (( segid "B   " and resid 13   and name HB2 ))
   (( segid "B   " and resid 12   and name HG2 ))
      3.000     1.200     1.200 peak   708 weight  0.10000E+01 volume  0.26023E-02 ppm1      1.554 ppm2      1.450 CV     1
 OR {  708}
   (( segid "B   " and resid 13   and name HG  ))
   (( segid "B   " and resid 12   and name HG2 ))
 ASSI {  717}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 31   and name HB1 ))
      3.000     1.100     1.100 peak   717 weight  0.10000E+01 volume  0.14813E-02 ppm1      2.282 ppm2      1.393 CV     1
 ASSI {  718}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 24   and name HB1 ))
      4.400     2.400     1.600 peak   718 weight  0.10000E+01 volume  0.82072E-03 ppm1      2.282 ppm2      1.436 CV     1
 ASSI {  736}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 32   and name HB1 ))
      4.400     2.500     1.600 peak   736 weight  0.10000E+01 volume  0.74066E-03 ppm1      2.276 ppm2      1.844 CV     1
 ASSI {  737}
   (( segid "A   " and resid 1    and name HG2 ))
   (( segid "A   " and resid 1    and name HE1 ))
      2.700     0.900     0.900 peak   737 weight  0.10000E+01 volume  0.30226E-02 ppm1      2.423 ppm2      2.087 CV     1
 ASSI {  741}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 27   and name HB1 ))
      3.500     1.500     1.500 peak   741 weight  0.10000E+01 volume  0.86075E-03 ppm1      2.350 ppm2      1.969 CV     1
 ASSI {  743}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 27   and name HB1 ))
      3.000     1.100     1.100 peak   743 weight  0.10000E+01 volume  0.20218E-02 ppm1      2.283 ppm2      1.974 CV     1
 ASSI {  746}
   (( segid "B   " and resid 22   and name HG2 ))
   (( segid "B   " and resid 22   and name HB1 ))
      3.800     1.800     1.800 peak   746 weight  0.10000E+01 volume  0.76067E-03 ppm1      2.173 ppm2      1.966 CV     1
 ASSI {  747}
   (( segid "B   " and resid 22   and name HG1 ))
   (( segid "B   " and resid 22   and name HG2 ))
      2.700     0.900     0.900 peak   747 weight  0.10000E+01 volume  0.90079E-03 ppm1      2.272 ppm2      2.150 CV     1
 ASSI {  748}
   (( segid "B   " and resid 29   and name HG2 ))
   (( segid "B   " and resid 28   and name HB2 ))
      3.300     1.300     1.300 peak   748 weight  0.10000E+01 volume  0.78068E-03 ppm1      2.286 ppm2      2.120 CV     1
 ASSI {  753}
   (( segid "B   " and resid 27   and name HG1 ))
   (( segid "B   " and resid 27   and name HG2 ))
      2.400     0.700     0.700 peak   753 weight  0.10000E+01 volume  0.15414E-02 ppm1      2.422 ppm2      2.271 CV     1
 ASSI {  755}
   (( segid "B   " and resid 28   and name HG2 ))
   (( segid "B   " and resid 27   and name HG2 ))
      4.000     2.000     2.000 peak   755 weight  0.10000E+01 volume  0.82072E-03 ppm1      2.331 ppm2      2.212 CV     1
 ASSI {  761}
   (( segid "B   " and resid 19   and name HB1 ))
   (( segid "B   " and resid 20   and name HG2 ))
      4.100     2.100     1.900 peak   761 weight  0.10000E+01 volume  0.70062E-03 ppm1      2.715 ppm2      1.641 CV     1
 ASSI {  767}
   (( segid "A   " and resid 10   and name HB2 ))
   (( segid "A   " and resid 8    and name HB1 ))
      3.500     1.500     1.500 peak   767 weight  0.10000E+01 volume  0.76067E-03 ppm1      2.833 ppm2      1.761 CV     1
 ASSI {  770}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 19   and name HB1 ))
      2.400     0.700     0.700 peak   770 weight  0.10000E+01 volume  0.14012E-02 ppm1      2.786 ppm2      2.647 CV     1
 ASSI {  773}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 22   and name HG1 ))
      4.000     2.000     2.000 peak   773 weight  0.10000E+01 volume  0.82072E-03 ppm1      2.756 ppm2      2.216 CV     1
 OR {  773}
   (( segid "B   " and resid 19   and name HB2 ))
   (( segid "B   " and resid 22   and name HG2 ))
 ASSI {  775}
   (( segid "A   " and resid 10   and name HB2 ))
   (( segid "A   " and resid 8    and name HG2 ))
      4.600     2.700     1.400 peak   775 weight  0.10000E+01 volume  0.78068E-03 ppm1      2.889 ppm2      1.343 CV     1
 ASSI {  783}
   (( segid "A   " and resid 4    and name HA  ))
   (( segid "A   " and resid 3    and name HE1 ))
      4.400     2.500     1.600 peak   783 weight  0.10000E+01 volume  0.66059E-03 ppm1      4.037 ppm2      2.924 CV     1
 ASSI {  793}
   (( segid "B   " and resid 15   and name HA  ))
   (( segid "B   " and resid 19   and name HB2 ))
      3.500     1.500     1.500 peak   793 weight  0.10000E+01 volume  0.74066E-03 ppm1      4.149 ppm2      2.737 CV     1
 OR {  793}
   (( segid "B   " and resid 15   and name HA  ))
   (( segid "B   " and resid 19   and name HB1 ))
 ASSI {  796}
   (( segid "B   " and resid 13   and name HA  ))
   (( segid "B   " and resid 12   and name HD2 ))
      3.600     1.600     1.600 peak   796 weight  0.10000E+01 volume  0.84075E-03 ppm1      4.438 ppm2      1.743 CV     1
 ASSI {  798}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "B   " and resid 17   and name HD11))
      4.700     2.800     1.300 peak   798 weight  0.10000E+01 volume  0.48043E-03 ppm1      7.597 ppm2      0.863 CV     1
 OR {  798}
   (( segid "A   " and resid 2    and name HE3 ))
   (( segid "B   " and resid 17   and name HG21))
 ASSI {  799}
   (( segid "A   " and resid 2    and name HZ3 ))
   (( segid "B   " and resid 12   and name HG2 ))
      3.600     1.700     1.700 peak   799 weight  0.10000E+01 volume  0.66059E-03 ppm1      7.143 ppm2      1.436 CV     1
 ASSI {  806}
   (  segid "A   " and resid 7    and name HE% )
   (( segid "B   " and resid 16   and name HA  ))
      4.500     2.600     1.500 peak   806 weight  0.10000E+01 volume  0.46040E-03 ppm1      7.324 ppm2      4.399 CV     1
 OR {  806}
   (( segid "A   " and resid 7    and name HZ  ))
   (( segid "B   " and resid 16   and name HA  ))
 ASSI {  811}
   (( segid "A   " and resid 4    and name HB  ))
   (( segid "B   " and resid 12   and name HG2 ))
      3.400     1.400     1.400 peak   811 weight  0.10000E+01 volume  0.15213E-02 ppm1      2.107 ppm2      1.442 CV     1
 ASSI {  821}
   (( segid "B   " and resid 27   and name HB1 ))
   (( segid "B   " and resid 32   and name HB2 ))
      3.300     1.300     1.300 peak   821 weight  0.10000E+01 volume  0.10609E-02 ppm1      1.981 ppm2      1.738 CV     1
 OR {  821}
   (( segid "B   " and resid 27   and name HB2 ))
   (( segid "B   " and resid 32   and name HB2 ))
 ASSI {  822}
   (( segid "B   " and resid 27   and name HB1 ))
   (( segid "B   " and resid 32   and name HB1 ))
      3.800     1.800     1.800 peak   822 weight  0.10000E+01 volume  0.13011E-02 ppm1      1.995 ppm2      1.834 CV     1
 OR {  822}
   (( segid "B   " and resid 27   and name HB2 ))
   (( segid "B   " and resid 32   and name HB1 ))
 ASSI {  823}
   (( segid "B   " and resid 20   and name HB2 ))
   (( segid "B   " and resid 20   and name HG2 ))
      3.600     1.600     1.600 peak   823 weight  0.10000E+01 volume  0.86075E-03 ppm1      1.962 ppm2      1.660 CV     1
 ASSI {  831}
   (( segid "B   " and resid 27   and name HG2 ))
   (( segid "B   " and resid 27   and name HB2 ))
      2.600     0.900     0.900 peak   831 weight  0.10000E+01 volume  0.32828E-02 ppm1      2.282 ppm2      2.039 CV     1
 ASSI {  840}
   (( segid "A   " and resid 2    and name HB2 ))
   (( segid "B   " and resid 17   and name HD11))
      4.800     2.800     1.200 peak   840 weight  0.10000E+01 volume  0.68060E-03 ppm1      3.311 ppm2      0.897 CV     1
 ASSI {  856}
   (( segid "A   " and resid 3    and name HG2 ))
   (( segid "B   " and resid 17   and name HD11))
      4.300     2.300     1.700 peak   856 weight  0.10000E+01 volume  0.86075E-03 ppm1      1.060 ppm2      0.900 CV     1
 ASSI {  861}
   (( segid "B   " and resid 23   and name HA  ))
   (( segid "B   " and resid 25   and name HG1 ))
      3.700     1.700     1.700 peak   861 weight  0.10000E+01 volume  0.66059E-03 ppm1      4.505 ppm2      1.402 CV     1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1  15.163  -5.084   9.540
    2   2H    MET   1          2HT       MET   1  14.885  -5.174   7.874
    3   3H    MET   1          3HT       MET   1  13.891  -6.028   8.943
    4    HA   MET   1           HA       MET   1  14.114  -3.082   8.931
    5   1HB   MET   1          2HB       MET   1  11.626  -3.748   7.937
    6   2HB   MET   1          1HB       MET   1  12.981  -3.107   7.025
    7   1HG   MET   1          2HG       MET   1  12.150  -5.007   5.884
    8   2HG   MET   1          1HG       MET   1  13.711  -5.437   6.583
    9   1HE   MET   1          1HE       MET   1  10.459  -4.783   8.109
   10   2HE   MET   1          2HE       MET   1  10.505  -5.951   9.434
   11   3HE   MET   1          3HE       MET   1   9.582  -6.311   7.974
   12    H    TRP   2           H        TRP   2  11.159  -3.082   9.224
   13    HA   TRP   2           HA       TRP   2  11.013  -3.952  12.037
   14   1HB   TRP   2          2HB       TRP   2   9.202  -1.776  11.365
   15   2HB   TRP   2          1HB       TRP   2  10.417  -1.864  12.654
   16    HD1  TRP   2           HD       TRP   2  12.654  -0.483  12.220
   17    HE1  TRP   2           1HE      TRP   2  13.466   0.981  10.252
   18    HE3  TRP   2           3HE      TRP   2   9.043  -1.644   8.875
   19    HZ2  TRP   2           2HZ      TRP   2  12.627   1.539   7.585
   20    HZ3  TRP   2           3HZ      TRP   2   9.086  -0.644   6.652
   21    HH2  TRP   2           HH       TRP   2  10.850   0.918   6.011
   22    H    LYS   3           H        LYS   3   8.620  -2.682   9.731
   23    HA   LYS   3           HA       LYS   3   6.976  -5.065  10.233
   24   1HB   LYS   3          2HB       LYS   3   5.005  -3.623  10.012
   25   2HB   LYS   3          1HB       LYS   3   6.037  -3.133  11.346
   26   1HG   LYS   3          2HG       LYS   3   6.185  -1.836   8.638
   27   2HG   LYS   3          1HG       LYS   3   5.061  -1.300   9.891
   28   1HD   LYS   3          2HD       LYS   3   6.995  -0.972  11.407
   29   2HD   LYS   3          1HD       LYS   3   8.054  -1.404  10.060
   30   1HE   LYS   3          2HE       LYS   3   7.595   0.514   8.891
   31   2HE   LYS   3          1HE       LYS   3   6.053   0.775   9.708
   32   1HZ   LYS   3          1HZ       LYS   3   8.692   1.050  11.039
   33   2HZ   LYS   3          2HZ       LYS   3   7.183   1.490  11.662
   34   3HZ   LYS   3          3HZ       LYS   3   7.842   2.346  10.362
   35    H    VAL   4           H        VAL   4   8.183  -2.873   7.859
   36    HA   VAL   4           HA       VAL   4   6.657  -3.061   5.671
   37    HB   VAL   4           HB       VAL   4   8.624  -1.892   5.389
   38   1HG1  VAL   4          1HG1      VAL   4  10.856  -2.892   5.674
   39   2HG1  VAL   4          2HG1      VAL   4  10.083  -4.393   6.189
   40   3HG1  VAL   4          3HG1      VAL   4   9.893  -2.926   7.152
   41   1HG2  VAL   4          1HG2      VAL   4   8.058  -3.144   3.353
   42   2HG2  VAL   4          2HG2      VAL   4   9.117  -4.452   3.884
   43   3HG2  VAL   4          3HG2      VAL   4   9.795  -2.867   3.503
   44    H    GLY   5           H        GLY   5   8.785  -5.649   6.812
   45   1HA   GLY   5          2HA       GLY   5   8.846  -7.478   4.894
   46   2HA   GLY   5          1HA       GLY   5   8.446  -7.948   6.539
   47    H    PHE   6           H        PHE   6   5.984  -6.801   6.826
   48    HA   PHE   6           HA       PHE   6   4.408  -8.132   4.791
   49   1HB   PHE   6          2HB       PHE   6   3.214  -7.769   7.377
   50   2HB   PHE   6          1HB       PHE   6   3.133  -9.164   6.326
   51    HD1  PHE   6           1HD      PHE   6   4.753  -7.634   9.170
   52    HD2  PHE   6           2HD      PHE   6   4.974 -10.825   6.364
   53    HE1  PHE   6           1HE      PHE   6   6.345  -8.806  10.635
   54    HE2  PHE   6           2HE      PHE   6   6.566 -12.004   7.824
   55    HZ   PHE   6           HZ       PHE   6   7.252 -10.994   9.964
   56    H    PHE   7           H        PHE   7   5.226  -5.227   6.178
   57    HA   PHE   7           HA       PHE   7   2.629  -4.014   6.071
   58   1HB   PHE   7          2HB       PHE   7   5.275  -3.295   6.990
   59   2HB   PHE   7          1HB       PHE   7   4.508  -1.975   6.104
   60    HD1  PHE   7           1HD      PHE   7   3.175  -4.558   8.434
   61    HD2  PHE   7           2HD      PHE   7   3.722  -0.437   7.569
   62    HE1  PHE   7           1HE      PHE   7   1.852  -3.971  10.428
   63    HE2  PHE   7           2HE      PHE   7   2.407   0.165   9.556
   64    HZ   PHE   7           HZ       PHE   7   1.466  -1.604  10.991
   65    H    LYS   8           H        LYS   8   5.502  -3.967   4.066
   66    HA   LYS   8           HA       LYS   8   4.818  -1.997   2.252
   67   1HB   LYS   8          2HB       LYS   8   6.389  -3.061   0.764
   68   2HB   LYS   8          1HB       LYS   8   6.985  -3.260   2.412
   69   1HG   LYS   8          2HG       LYS   8   5.494  -5.479   2.166
   70   2HG   LYS   8          1HG       LYS   8   6.044  -5.271   0.497
   71   1HD   LYS   8          2HD       LYS   8   8.380  -5.041   1.444
   72   2HD   LYS   8          1HD       LYS   8   7.701  -5.579   2.989
   73   1HE   LYS   8          2HE       LYS   8   7.746  -7.701   2.327
   74   2HE   LYS   8          1HE       LYS   8   6.824  -7.303   0.875
   75   1HZ   LYS   8          1HZ       LYS   8   9.407  -8.162   0.941
   76   2HZ   LYS   8          2HZ       LYS   8   9.569  -6.496   0.702
   77   3HZ   LYS   8          3HZ       LYS   8   8.647  -7.418  -0.375
   78    H    ARG   9           H        ARG   9   3.442  -5.077   2.800
   79    HA   ARG   9           HA       ARG   9   2.017  -5.016   0.235
   80   1HB   ARG   9          2HB       ARG   9   1.631  -7.486   0.771
   81   2HB   ARG   9          1HB       ARG   9   3.244  -6.994   0.277
   82   1HG   ARG   9          2HG       ARG   9   3.086  -6.786   3.106
   83   2HG   ARG   9          1HG       ARG   9   2.470  -8.368   2.622
   84   1HD   ARG   9          2HD       ARG   9   5.068  -7.229   1.620
   85   2HD   ARG   9          1HD       ARG   9   4.951  -8.232   3.064
   86    HE   ARG   9           HE       ARG   9   4.385  -9.108   0.314
   87   1HH1  ARG   9          1HH1      ARG   9   5.025  -9.826   3.662
   88   2HH1  ARG   9          2HH1      ARG   9   5.245 -11.522   3.390
   89   1HH2  ARG   9          1HH2      ARG   9   4.672 -11.339  -0.056
   90   2HH2  ARG   9          2HH2      ARG   9   5.045 -12.383   1.277
   91    H    ASN  10           H        ASN  10   1.642  -5.648   3.700
   92    HA   ASN  10           HA       ASN  10  -1.206  -5.901   3.496
   93   1HB   ASN  10          2HB       ASN  10   0.621  -6.807   5.269
   94   2HB   ASN  10          1HB       ASN  10  -0.146  -5.503   6.164
   95   1HD2  ASN  10          1HD2      ASN  10  -1.391  -6.586   7.568
   96   2HD2  ASN  10          2HD2      ASN  10  -2.623  -7.715   7.126
   97    H    ARG  11           H        ARG  11   0.543  -3.864   5.790
   98    HA   ARG  11           HA       ARG  11  -1.525  -1.899   5.775
   99   1HB   ARG  11          2HB       ARG  11   0.954  -2.388   7.256
  100   2HB   ARG  11          1HB       ARG  11   0.555  -0.692   7.034
  101   1HG   ARG  11          2HG       ARG  11  -0.322  -1.551   9.138
  102   2HG   ARG  11          1HG       ARG  11  -1.618  -1.037   8.055
  103   1HD   ARG  11          2HD       ARG  11  -2.255  -3.114   9.063
  104   2HD   ARG  11          1HD       ARG  11  -1.898  -3.408   7.362
  105    HE   ARG  11           HE       ARG  11   0.355  -4.185   8.223
  106   1HH1  ARG  11          1HH1      ARG  11  -2.570  -4.403  10.108
  107   2HH1  ARG  11          2HH1      ARG  11  -2.025  -5.761  11.034
  108   1HH2  ARG  11          1HH2      ARG  11   1.078  -5.977   9.436
  109   2HH2  ARG  11          2HH2      ARG  11   0.047  -6.656  10.651
  110   1H    LYS  12          1HT       LYS  12  10.537   1.414   1.079
  111   2H    LYS  12          2HT       LYS  12   9.359   1.363  -0.133
  112   3H    LYS  12          3HT       LYS  12  10.210  -0.040   0.279
  113    HA   LYS  12           HA       LYS  12   7.953  -0.030   1.182
  114   1HB   LYS  12          2HB       LYS  12   8.624  -1.040   3.146
  115   2HB   LYS  12          1HB       LYS  12  10.144  -1.007   2.265
  116   1HG   LYS  12          2HG       LYS  12   9.314   1.058   4.292
  117   2HG   LYS  12          1HG       LYS  12  10.319  -0.349   4.648
  118   1HD   LYS  12          2HD       LYS  12  10.997   1.786   2.626
  119   2HD   LYS  12          1HD       LYS  12  11.647   1.702   4.264
  120   1HE   LYS  12          2HE       LYS  12  11.986  -0.373   2.104
  121   2HE   LYS  12          1HE       LYS  12  13.214   0.774   2.640
  122   1HZ   LYS  12          1HZ       LYS  12  12.029  -0.879   4.714
  123   2HZ   LYS  12          2HZ       LYS  12  13.639  -0.412   4.489
  124   3HZ   LYS  12          3HZ       LYS  12  12.998  -1.697   3.594
  125    H    LEU  13           H        LEU  13   9.861   2.789   1.903
  126    HA   LEU  13           HA       LEU  13   7.996   3.863   3.800
  127   1HB   LEU  13          2HB       LEU  13  10.613   4.418   3.147
  128   2HB   LEU  13          1HB       LEU  13   9.751   5.799   2.494
  129    HG   LEU  13           HG       LEU  13   8.666   5.496   5.029
  130   1HD1  LEU  13          1HD1      LEU  13  11.211   4.217   5.000
  131   2HD1  LEU  13          2HD1      LEU  13  10.112   4.475   6.355
  132   3HD1  LEU  13          3HD1      LEU  13  11.322   5.695   5.957
  133   1HD2  LEU  13          1HD2      LEU  13   8.988   7.664   4.540
  134   2HD2  LEU  13          2HD2      LEU  13  10.467   7.352   3.630
  135   3HD2  LEU  13          3HD2      LEU  13  10.515   7.434   5.392
  136    H    LEU  14           H        LEU  14   6.911   3.054   1.287
  137    HA   LEU  14           HA       LEU  14   5.667   5.581   0.473
  138   1HB   LEU  14          2HB       LEU  14   6.707   5.307  -1.511
  139   2HB   LEU  14          1HB       LEU  14   7.103   3.633  -1.180
  140    HG   LEU  14           HG       LEU  14   4.668   3.107  -1.765
  141   1HD1  LEU  14          1HD1      LEU  14   4.290   5.762  -1.713
  142   2HD1  LEU  14          2HD1      LEU  14   3.305   4.661  -2.675
  143   3HD1  LEU  14          3HD1      LEU  14   4.631   5.544  -3.431
  144   1HD2  LEU  14          1HD2      LEU  14   5.296   3.598  -4.310
  145   2HD2  LEU  14          2HD2      LEU  14   6.060   2.318  -3.368
  146   3HD2  LEU  14          3HD2      LEU  14   6.879   3.865  -3.578
  147    H    ILE  15           H        ILE  15   5.506   2.152   1.028
  148    HA   ILE  15           HA       ILE  15   2.566   2.307   1.022
  149    HB   ILE  15           HB       ILE  15   3.000   0.874  -0.753
  150   1HG1  ILE  15          2HG1      ILE  15   2.272  -1.314  -0.064
  151   2HG1  ILE  15          1HG1      ILE  15   2.867  -1.051   1.571
  152   1HG2  ILE  15          1HG2      ILE  15   4.665  -1.080  -0.443
  153   2HG2  ILE  15          2HG2      ILE  15   5.300  -0.113   0.887
  154   3HG2  ILE  15          3HG2      ILE  15   5.295   0.539  -0.753
  155   1HD1  ILE  15          1HD1      ILE  15   0.629  -0.721   1.843
  156   2HD1  ILE  15          2HD1      ILE  15   0.425   0.005   0.247
  157   3HD1  ILE  15          3HD1      ILE  15   1.177   0.932   1.549
  158    H    THR  16           H        THR  16   5.229   0.319   2.307
  159    HA   THR  16           HA       THR  16   4.091  -0.997   4.355
  160    HB   THR  16           HB       THR  16   6.752   0.363   4.130
  161    HG1  THR  16           1HG      THR  16   6.748  -1.490   3.058
  162   1HG2  THR  16          1HG2      THR  16   5.643  -0.821   6.604
  163   2HG2  THR  16          2HG2      THR  16   6.815   0.479   6.389
  164   3HG2  THR  16          3HG2      THR  16   7.310  -1.199   6.176
  165    H    ILE  17           H        ILE  17   5.833   1.923   5.109
  166    HA   ILE  17           HA       ILE  17   4.214   2.426   7.460
  167    HB   ILE  17           HB       ILE  17   6.584   2.467   7.711
  168   1HG1  ILE  17          2HG1      ILE  17   6.982   4.943   8.290
  169   2HG1  ILE  17          1HG1      ILE  17   5.329   5.210   7.743
  170   1HG2  ILE  17          1HG2      ILE  17   7.273   2.747   5.459
  171   2HG2  ILE  17          2HG2      ILE  17   7.953   4.110   6.369
  172   3HG2  ILE  17          3HG2      ILE  17   6.516   4.349   5.354
  173   1HD1  ILE  17          1HD1      ILE  17   5.915   3.117   9.793
  174   2HD1  ILE  17          2HD1      ILE  17   4.421   4.015   9.485
  175   3HD1  ILE  17          3HD1      ILE  17   5.793   4.821  10.250
  176    H    HIS  18           H        HIS  18   5.149   4.045   4.478
  177    HA   HIS  18           HA       HIS  18   4.075   6.551   4.983
  178   1HB   HIS  18          2HB       HIS  18   5.600   6.341   3.204
  179   2HB   HIS  18          1HB       HIS  18   4.698   5.011   2.479
  180    HD1  HIS  18           1HD      HIS  18   2.232   5.793   1.621
  181    HD2  HIS  18           2HD      HIS  18   5.164   8.705   1.933
  182    HE1  HIS  18           1HE      HIS  18   1.455   7.683   0.138
  183    HE2  HIS  18           2HE      HIS  18   3.217   9.470   0.408
  184    H    ASP  19           H        ASP  19   2.403   3.628   4.404
  185    HA   ASP  19           HA       ASP  19   0.131   4.730   3.093
  186   1HB   ASP  19          2HB       ASP  19   0.561   2.398   2.901
  187   2HB   ASP  19          1HB       ASP  19   0.494   2.168   4.640
  188    H    ARG  20           H        ARG  20   0.788   3.923   6.507
  189    HA   ARG  20           HA       ARG  20  -1.739   4.785   7.464
  190   1HB   ARG  20          2HB       ARG  20   0.595   5.126   9.256
  191   2HB   ARG  20          1HB       ARG  20  -0.943   4.333   9.555
  192   1HG   ARG  20          2HG       ARG  20  -0.229   2.322   8.652
  193   2HG   ARG  20          1HG       ARG  20   1.082   3.083   7.748
  194   1HD   ARG  20          2HD       ARG  20   1.458   1.729  10.034
  195   2HD   ARG  20          1HD       ARG  20   2.492   3.058   9.516
  196    HE   ARG  20           HE       ARG  20   1.659   4.338  11.230
  197   1HH1  ARG  20          1HH1      ARG  20  -0.316   1.492  10.842
  198   2HH1  ARG  20          2HH1      ARG  20  -1.212   1.758  12.300
  199   1HH2  ARG  20          1HH2      ARG  20   0.488   4.693  13.152
  200   2HH2  ARG  20          2HH2      ARG  20  -0.756   3.579  13.614
  201    H    LYS  21           H        LYS  21   0.779   6.405   6.085
  202    HA   LYS  21           HA       LYS  21   0.595   8.894   7.526
  203   1HB   LYS  21          2HB       LYS  21   2.721   8.271   6.605
  204   2HB   LYS  21          1HB       LYS  21   2.009   8.021   5.010
  205   1HG   LYS  21          2HG       LYS  21   1.393  10.546   5.213
  206   2HG   LYS  21          1HG       LYS  21   2.679  10.566   6.421
  207   1HD   LYS  21          2HD       LYS  21   4.135   9.442   4.664
  208   2HD   LYS  21          1HD       LYS  21   2.871   9.856   3.504
  209   1HE   LYS  21          2HE       LYS  21   3.247  12.131   3.713
  210   2HE   LYS  21          1HE       LYS  21   3.997  11.962   5.300
  211   1HZ   LYS  21          1HZ       LYS  21   5.932  12.069   4.247
  212   2HZ   LYS  21          2HZ       LYS  21   5.208  11.937   2.724
  213   3HZ   LYS  21          3HZ       LYS  21   5.608  10.543   3.593
  214    H    GLU  22           H        GLU  22  -0.418   7.611   4.388
  215    HA   GLU  22           HA       GLU  22  -1.653  10.093   3.616
  216   1HB   GLU  22          2HB       GLU  22  -2.504   8.604   1.682
  217   2HB   GLU  22          1HB       GLU  22  -0.785   8.954   1.785
  218   1HG   GLU  22          2HG       GLU  22  -0.235   6.813   2.181
  219   2HG   GLU  22          1HG       GLU  22  -1.659   6.525   3.188
  220    H    PHE  23           H        PHE  23  -3.560   7.453   2.679
  221    HA   PHE  23           HA       PHE  23  -5.584   8.147   4.703
  222   1HB   PHE  23          2HB       PHE  23  -5.816   7.769   1.741
  223   2HB   PHE  23          1HB       PHE  23  -7.202   7.437   2.774
  224    HD1  PHE  23           1HD      PHE  23  -7.729   9.367   4.519
  225    HD2  PHE  23           2HD      PHE  23  -5.595   9.876   0.873
  226    HE1  PHE  23           1HE      PHE  23  -8.288  11.764   4.530
  227    HE2  PHE  23           2HE      PHE  23  -6.150  12.272   0.877
  228    HZ   PHE  23           HZ       PHE  23  -7.498  13.220   2.708
  229    H    ALA  24           H        ALA  24  -3.918   6.089   5.320
  230    HA   ALA  24           HA       ALA  24  -4.740   3.554   4.403
  231   1HB   ALA  24          1HB       ALA  24  -2.861   3.091   5.484
  232   2HB   ALA  24          2HB       ALA  24  -3.805   3.140   6.974
  233   3HB   ALA  24          3HB       ALA  24  -2.949   4.581   6.425
  234    H    LYS  25           H        LYS  25  -6.372   5.789   6.286
  235    HA   LYS  25           HA       LYS  25  -7.670   4.376   8.255
  236   1HB   LYS  25          2HB       LYS  25  -9.707   5.933   7.326
  237   2HB   LYS  25          1HB       LYS  25  -8.434   6.490   8.403
  238   1HG   LYS  25          2HG       LYS  25  -7.763   6.623   5.552
  239   2HG   LYS  25          1HG       LYS  25  -9.101   7.660   6.052
  240   1HD   LYS  25          2HD       LYS  25  -6.725   7.664   7.806
  241   2HD   LYS  25          1HD       LYS  25  -6.512   8.385   6.209
  242   1HE   LYS  25          2HE       LYS  25  -7.273   9.908   8.131
  243   2HE   LYS  25          1HE       LYS  25  -8.134  10.015   6.596
  244   1HZ   LYS  25          1HZ       LYS  25  -9.597   9.950   8.575
  245   2HZ   LYS  25          2HZ       LYS  25  -9.051   8.383   8.900
  246   3HZ   LYS  25          3HZ       LYS  25  -9.903   8.701   7.475
  247    H    PHE  26           H        PHE  26  -8.560   4.605   4.826
  248    HA   PHE  26           HA       PHE  26 -10.244   2.230   5.207
  249   1HB   PHE  26          2HB       PHE  26 -11.104   3.487   2.853
  250   2HB   PHE  26          1HB       PHE  26 -11.973   3.377   4.379
  251    HD1  PHE  26           1HD      PHE  26 -12.420   5.286   5.634
  252    HD2  PHE  26           2HD      PHE  26  -9.547   5.451   2.504
  253    HE1  PHE  26           1HE      PHE  26 -12.307   7.729   5.872
  254    HE2  PHE  26           2HE      PHE  26  -9.425   7.891   2.733
  255    HZ   PHE  26           HZ       PHE  26 -10.808   9.040   4.419
  256    H    GLU  27           H        GLU  27  -7.378   3.073   4.132
  257    HA   GLU  27           HA       GLU  27  -7.386   1.930   1.512
  258   1HB   GLU  27          2HB       GLU  27  -5.470   3.207   3.275
  259   2HB   GLU  27          1HB       GLU  27  -4.770   1.841   2.411
  260   1HG   GLU  27          2HG       GLU  27  -6.294   3.231   0.532
  261   2HG   GLU  27          1HG       GLU  27  -5.433   4.455   1.464
  262    H    GLU  28           H        GLU  28  -8.135   0.508   4.176
  263    HA   GLU  28           HA       GLU  28  -6.752  -2.005   3.534
  264   1HB   GLU  28          2HB       GLU  28  -7.732  -1.011   6.222
  265   2HB   GLU  28          1HB       GLU  28  -7.110  -2.632   5.925
  266   1HG   GLU  28          2HG       GLU  28  -5.225  -0.719   4.964
  267   2HG   GLU  28          1HG       GLU  28  -5.684  -0.303   6.615
  268    H    GLU  29           H        GLU  29  -9.550  -0.259   3.515
  269    HA   GLU  29           HA       GLU  29 -11.240  -2.668   3.470
  270   1HB   GLU  29          2HB       GLU  29 -12.173   0.121   4.156
  271   2HB   GLU  29          1HB       GLU  29 -13.071  -1.383   4.326
  272   1HG   GLU  29          2HG       GLU  29 -10.709  -1.686   5.819
  273   2HG   GLU  29          1HG       GLU  29 -11.346  -0.086   6.192
  274    H    ARG  30           H        ARG  30 -11.376   0.729   2.344
  275    HA   ARG  30           HA       ARG  30 -12.351  -0.279  -0.249
  276   1HB   ARG  30          2HB       ARG  30 -14.206   0.877   0.216
  277   2HB   ARG  30          1HB       ARG  30 -13.449   1.678   1.584
  278   1HG   ARG  30          2HG       ARG  30 -12.290   3.029  -0.429
  279   2HG   ARG  30          1HG       ARG  30 -13.830   2.604  -1.183
  280   1HD   ARG  30          2HD       ARG  30 -13.485   4.009   1.464
  281   2HD   ARG  30          1HD       ARG  30 -13.929   4.779  -0.058
  282    HE   ARG  30           HE       ARG  30 -15.726   2.679   0.609
  283   1HH1  ARG  30          1HH1      ARG  30 -14.901   5.978   1.364
  284   2HH1  ARG  30          2HH1      ARG  30 -16.499   6.397   1.882
  285   1HH2  ARG  30          1HH2      ARG  30 -17.836   3.221   1.290
  286   2HH2  ARG  30          2HH2      ARG  30 -18.167   4.829   1.839
  287    H    ALA  31           H        ALA  31 -10.628   2.465   1.251
  288    HA   ALA  31           HA       ALA  31  -9.807   3.764  -1.042
  289   1HB   ALA  31          1HB       ALA  31  -7.777   4.442   0.383
  290   2HB   ALA  31          2HB       ALA  31  -8.592   3.556   1.672
  291   3HB   ALA  31          3HB       ALA  31  -9.393   4.929   0.904
  292    H    ARG  32           H        ARG  32  -9.027   0.627  -0.307
  293    HA   ARG  32           HA       ARG  32  -6.389   0.771  -1.559
  294   1HB   ARG  32          2HB       ARG  32  -7.169  -0.700   0.521
  295   2HB   ARG  32          1HB       ARG  32  -7.547  -1.830  -0.761
  296   1HG   ARG  32          2HG       ARG  32  -4.873  -0.568  -0.202
  297   2HG   ARG  32          1HG       ARG  32  -5.329  -2.259   0.075
  298   1HD   ARG  32          2HD       ARG  32  -5.759  -1.172  -2.642
  299   2HD   ARG  32          1HD       ARG  32  -4.077  -1.432  -2.146
  300    HE   ARG  32           HE       ARG  32  -6.147  -3.529  -2.287
  301   1HH1  ARG  32          1HH1      ARG  32  -2.807  -2.533  -2.272
  302   2HH1  ARG  32          2HH1      ARG  32  -2.202  -4.114  -2.637
  303   1HH2  ARG  32          1HH2      ARG  32  -5.358  -5.611  -2.766
  304   2HH2  ARG  32          2HH2      ARG  32  -3.650  -5.863  -2.916
  305    H    ALA  33           H        ALA  33  -9.517  -0.842  -1.938
  306    HA   ALA  33           HA       ALA  33  -8.919  -2.242  -4.265
  307   1HB   ALA  33          1HB       ALA  33 -10.882  -2.838  -3.270
  308   2HB   ALA  33          2HB       ALA  33 -11.440  -1.984  -4.711
  309   3HB   ALA  33          3HB       ALA  33 -11.470  -1.181  -3.137
  310    H    LYS  34           H        LYS  34  -8.965   1.037  -3.751
  311    HA   LYS  34           HA       LYS  34  -9.856   2.077  -6.225
  312   1HB   LYS  34          2HB       LYS  34  -7.568   3.247  -4.640
  313   2HB   LYS  34          1HB       LYS  34  -8.821   4.095  -5.547
  314   1HG   LYS  34          2HG       LYS  34  -9.330   2.511  -3.050
  315   2HG   LYS  34          1HG       LYS  34  -8.978   4.245  -3.062
  316   1HD   LYS  34          2HD       LYS  34 -10.910   4.455  -4.715
  317   2HD   LYS  34          1HD       LYS  34 -11.334   2.816  -4.232
  318   1HE   LYS  34          2HE       LYS  34 -11.657   3.491  -1.962
  319   2HE   LYS  34          1HE       LYS  34 -10.996   5.092  -2.293
  320   1HZ   LYS  34          1HZ       LYS  34 -13.052   5.753  -2.720
  321   2HZ   LYS  34          2HZ       LYS  34 -13.657   4.181  -2.567
  322   3HZ   LYS  34          3HZ       LYS  34 -13.090   4.726  -4.064
  323    H    TRP  35           H        TRP  35  -6.852   0.914  -4.960
  324    HA   TRP  35           HA       TRP  35  -5.286   1.325  -7.318
  325   1HB   TRP  35          2HB       TRP  35  -4.552  -0.572  -5.116
  326   2HB   TRP  35          1HB       TRP  35  -3.508   0.520  -6.035
  327    HD1  TRP  35           HD       TRP  35  -3.906   0.185  -2.769
  328    HE1  TRP  35           1HE      TRP  35  -4.294   2.313  -1.417
  329    HE3  TRP  35           3HE      TRP  35  -5.488   3.278  -6.519
  330    HZ2  TRP  35           2HZ      TRP  35  -5.164   4.925  -1.836
  331    HZ3  TRP  35           3HZ      TRP  35  -6.110   5.588  -5.941
  332    HH2  TRP  35           HH       TRP  35  -5.937   6.404  -3.645
  333    H    ASP  36           H        ASP  36  -7.080  -1.258  -5.816
  334    HA   ASP  36           HA       ASP  36  -6.194  -3.511  -7.086
  335   1HB   ASP  36          2HB       ASP  36  -8.390  -2.797  -5.523
  336   2HB   ASP  36          1HB       ASP  36  -9.084  -3.502  -6.982
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1  15.465  -4.730   7.043
    2   2H    MET   1          2HT       MET   1  14.588  -5.485   8.277
    3   3H    MET   1          3HT       MET   1  15.904  -4.494   8.660
    4    HA   MET   1           HA       MET   1  14.777  -2.554   7.922
    5   1HB   MET   1          2HB       MET   1  12.177  -3.353   7.395
    6   2HB   MET   1          1HB       MET   1  13.368  -2.806   6.227
    7   1HG   MET   1          2HG       MET   1  12.458  -4.828   5.428
    8   2HG   MET   1          1HG       MET   1  14.100  -5.172   5.974
    9   1HE   MET   1          1HE       MET   1  11.078  -4.343   7.847
   10   2HE   MET   1          2HE       MET   1  11.366  -5.337   9.281
   11   3HE   MET   1          3HE       MET   1  10.218  -5.872   8.053
   12    H    TRP   2           H        TRP   2  11.896  -2.506   8.651
   13    HA   TRP   2           HA       TRP   2  12.188  -3.024  11.540
   14   1HB   TRP   2          2HB       TRP   2  10.256  -0.945  10.902
   15   2HB   TRP   2          1HB       TRP   2  11.656  -0.876  11.987
   16    HD1  TRP   2           HD       TRP   2  13.748   0.478  11.068
   17    HE1  TRP   2           1HE      TRP   2  14.219   1.698   8.839
   18    HE3  TRP   2           3HE      TRP   2   9.733  -1.142   8.453
   19    HZ2  TRP   2           2HZ      TRP   2  12.986   1.907   6.276
   20    HZ3  TRP   2           3HZ      TRP   2   9.426  -0.424   6.142
   21    HH2  TRP   2           HH       TRP   2  11.028   1.070   5.070
   22    H    LYS   3           H        LYS   3   9.455  -2.042   9.485
   23    HA   LYS   3           HA       LYS   3   7.947  -4.343  10.521
   24   1HB   LYS   3          2HB       LYS   3   5.934  -2.935  10.394
   25   2HB   LYS   3          1HB       LYS   3   7.132  -2.293  11.508
   26   1HG   LYS   3          2HG       LYS   3   6.918  -1.332   8.670
   27   2HG   LYS   3          1HG       LYS   3   5.940  -0.651   9.974
   28   1HD   LYS   3          2HD       LYS   3   8.052  -0.156  11.199
   29   2HD   LYS   3          1HD       LYS   3   8.929  -0.703   9.767
   30   1HE   LYS   3          2HE       LYS   3   8.283   1.087   8.500
   31   2HE   LYS   3          1HE       LYS   3   6.833   1.387   9.462
   32   1HZ   LYS   3          1HZ       LYS   3   8.021   2.505  11.064
   33   2HZ   LYS   3          2HZ       LYS   3   8.855   2.966   9.667
   34   3HZ   LYS   3          3HZ       LYS   3   9.490   1.763  10.672
   35    H    VAL   4           H        VAL   4   8.750  -2.463   7.737
   36    HA   VAL   4           HA       VAL   4   6.913  -2.926   5.849
   37    HB   VAL   4           HB       VAL   4   8.790  -1.799   5.126
   38   1HG1  VAL   4          1HG1      VAL   4  10.347  -2.614   6.767
   39   2HG1  VAL   4          2HG1      VAL   4  11.054  -2.758   5.157
   40   3HG1  VAL   4          3HG1      VAL   4  10.405  -4.186   5.967
   41   1HG2  VAL   4          1HG2      VAL   4   9.736  -3.076   3.240
   42   2HG2  VAL   4          2HG2      VAL   4   7.975  -3.183   3.324
   43   3HG2  VAL   4          3HG2      VAL   4   8.972  -4.531   3.880
   44    H    GLY   5           H        GLY   5   9.245  -5.352   6.950
   45   1HA   GLY   5          2HA       GLY   5   9.021  -7.405   5.278
   46   2HA   GLY   5          1HA       GLY   5   8.921  -7.666   7.013
   47    H    PHE   6           H        PHE   6   6.510  -6.445   7.541
   48    HA   PHE   6           HA       PHE   6   4.640  -8.061   6.033
   49   1HB   PHE   6          2HB       PHE   6   3.987  -7.276   8.742
   50   2HB   PHE   6          1HB       PHE   6   3.568  -8.753   7.907
   51    HD1  PHE   6           1HD      PHE   6   5.607 -10.342   7.419
   52    HD2  PHE   6           2HD      PHE   6   5.542  -7.349  10.443
   53    HE1  PHE   6           1HE      PHE   6   7.401 -11.522   8.621
   54    HE2  PHE   6           2HE      PHE   6   7.335  -8.522  11.650
   55    HZ   PHE   6           HZ       PHE   6   8.268 -10.611  10.739
   56    H    PHE   7           H        PHE   7   5.593  -4.996   6.929
   57    HA   PHE   7           HA       PHE   7   3.024  -3.774   7.036
   58   1HB   PHE   7          2HB       PHE   7   5.756  -2.997   7.416
   59   2HB   PHE   7          1HB       PHE   7   4.927  -1.820   6.396
   60    HD1  PHE   7           1HD      PHE   7   3.773  -3.878   9.268
   61    HD2  PHE   7           2HD      PHE   7   4.420   0.002   7.662
   62    HE1  PHE   7           1HE      PHE   7   2.723  -2.881  11.268
   63    HE2  PHE   7           2HE      PHE   7   3.374   1.012   9.648
   64    HZ   PHE   7           HZ       PHE   7   2.523  -0.432  11.455
   65    H    LYS   8           H        LYS   8   5.511  -4.002   4.567
   66    HA   LYS   8           HA       LYS   8   4.475  -2.325   2.650
   67   1HB   LYS   8          2HB       LYS   8   5.733  -3.634   1.045
   68   2HB   LYS   8          1HB       LYS   8   6.648  -3.547   2.547
   69   1HG   LYS   8          2HG       LYS   8   5.227  -5.796   2.963
   70   2HG   LYS   8          1HG       LYS   8   5.449  -5.860   1.210
   71   1HD   LYS   8          2HD       LYS   8   7.913  -5.397   1.684
   72   2HD   LYS   8          1HD       LYS   8   7.531  -5.772   3.373
   73   1HE   LYS   8          2HE       LYS   8   7.637  -7.948   2.937
   74   2HE   LYS   8          1HE       LYS   8   6.387  -7.770   1.702
   75   1HZ   LYS   8          1HZ       LYS   8   8.953  -6.865   0.808
   76   2HZ   LYS   8          2HZ       LYS   8   7.890  -7.966   0.089
   77   3HZ   LYS   8          3HZ       LYS   8   8.980  -8.493   1.270
   78    H    ARG   9           H        ARG   9   3.413  -5.416   3.749
   79    HA   ARG   9           HA       ARG   9   1.459  -5.637   1.580
   80   1HB   ARG   9          2HB       ARG   9   1.239  -8.009   2.479
   81   2HB   ARG   9          1HB       ARG   9   2.738  -7.588   1.663
   82   1HG   ARG   9          2HG       ARG   9   3.025  -7.031   4.443
   83   2HG   ARG   9          1HG       ARG   9   2.411  -8.674   4.238
   84   1HD   ARG   9          2HD       ARG   9   4.758  -7.592   2.699
   85   2HD   ARG   9          1HD       ARG   9   4.929  -8.407   4.253
   86    HE   ARG   9           HE       ARG   9   3.986  -9.639   1.755
   87   1HH1  ARG   9          1HH1      ARG   9   5.140  -9.917   5.031
   88   2HH1  ARG   9          2HH1      ARG   9   5.367 -11.631   4.941
   89   1HH2  ARG   9          1HH2      ARG   9   4.280 -11.896   1.630
   90   2HH2  ARG   9          2HH2      ARG   9   4.879 -12.755   3.010
   91    H    ASN  10           H        ASN  10   1.794  -5.146   4.993
   92    HA   ASN  10           HA       ASN  10  -1.030  -5.650   5.473
   93   1HB   ASN  10          2HB       ASN  10   1.027  -6.284   6.999
   94   2HB   ASN  10          1HB       ASN  10   0.684  -4.689   7.649
   95   1HD2  ASN  10          1HD2      ASN  10  -1.949  -6.438   6.321
   96   2HD2  ASN  10          2HD2      ASN  10  -2.679  -6.906   7.814
   97    H    ARG  11           H        ARG  11   1.096  -3.189   6.778
   98    HA   ARG  11           HA       ARG  11  -1.034  -1.234   6.652
   99   1HB   ARG  11          2HB       ARG  11   1.286  -1.725   8.233
  100   2HB   ARG  11          1HB       ARG  11   1.310  -0.078   7.618
  101   1HG   ARG  11          2HG       ARG  11   0.223   0.045   9.694
  102   2HG   ARG  11          1HG       ARG  11  -1.058   0.140   8.483
  103   1HD   ARG  11          2HD       ARG  11  -1.643  -1.358  10.341
  104   2HD   ARG  11          1HD       ARG  11  -1.572  -2.206   8.796
  105    HE   ARG  11           HE       ARG  11   0.822  -2.766   9.636
  106   1HH1  ARG  11          1HH1      ARG  11  -2.072  -2.565  11.570
  107   2HH1  ARG  11          2HH1      ARG  11  -1.524  -3.718  12.740
  108   1HH2  ARG  11          1HH2      ARG  11   1.551  -4.281  11.176
  109   2HH2  ARG  11          2HH2      ARG  11   0.535  -4.693  12.517
  110   1H    LYS  12          1HT       LYS  12   9.902  -0.311  -0.180
  111   2H    LYS  12          2HT       LYS  12   9.958   1.337   0.196
  112   3H    LYS  12          3HT       LYS  12   8.771   0.750  -0.856
  113    HA   LYS  12           HA       LYS  12   7.571  -0.277   0.809
  114   1HB   LYS  12          2HB       LYS  12   8.458  -1.036   2.829
  115   2HB   LYS  12          1HB       LYS  12   9.824  -1.204   1.734
  116   1HG   LYS  12          2HG       LYS  12   9.371   1.078   3.649
  117   2HG   LYS  12          1HG       LYS  12  10.476  -0.279   3.892
  118   1HD   LYS  12          2HD       LYS  12  10.648   1.838   1.751
  119   2HD   LYS  12          1HD       LYS  12  11.737   1.624   3.121
  120   1HE   LYS  12          2HE       LYS  12  11.319  -0.505   1.046
  121   2HE   LYS  12          1HE       LYS  12  12.521   0.770   0.850
  122   1HZ   LYS  12          1HZ       LYS  12  13.873  -0.569   1.976
  123   2HZ   LYS  12          2HZ       LYS  12  12.616  -1.584   2.478
  124   3HZ   LYS  12          3HZ       LYS  12  12.977  -0.186   3.359
  125    H    LEU  13           H        LEU  13   9.538   2.589   1.083
  126    HA   LEU  13           HA       LEU  13   7.896   3.822   3.072
  127   1HB   LEU  13          2HB       LEU  13  10.401   4.329   2.006
  128   2HB   LEU  13          1HB       LEU  13   9.427   5.673   1.433
  129    HG   LEU  13           HG       LEU  13   8.804   5.362   4.164
  130   1HD1  LEU  13          1HD1      LEU  13  11.176   5.804   5.046
  131   2HD1  LEU  13          2HD1      LEU  13  11.717   5.013   3.567
  132   3HD1  LEU  13          3HD1      LEU  13  10.701   4.138   4.712
  133   1HD2  LEU  13          1HD2      LEU  13   8.699   7.509   3.423
  134   2HD2  LEU  13          2HD2      LEU  13  10.139   7.352   2.415
  135   3HD2  LEU  13          3HD2      LEU  13  10.302   7.550   4.160
  136    H    LEU  14           H        LEU  14   6.503   2.821   0.786
  137    HA   LEU  14           HA       LEU  14   5.117   5.272  -0.005
  138   1HB   LEU  14          2HB       LEU  14   5.918   5.010  -2.087
  139   2HB   LEU  14          1HB       LEU  14   6.503   3.393  -1.749
  140    HG   LEU  14           HG       LEU  14   4.034   2.669  -2.032
  141   1HD1  LEU  14          1HD1      LEU  14   3.365   5.175  -2.070
  142   2HD1  LEU  14          2HD1      LEU  14   2.571   4.047  -3.169
  143   3HD1  LEU  14          3HD1      LEU  14   3.856   5.098  -3.762
  144   1HD2  LEU  14          1HD2      LEU  14   4.385   2.854  -4.614
  145   2HD2  LEU  14          2HD2      LEU  14   5.457   1.850  -3.637
  146   3HD2  LEU  14          3HD2      LEU  14   5.976   3.456  -4.150
  147    H    ILE  15           H        ILE  15   5.127   1.824   0.548
  148    HA   ILE  15           HA       ILE  15   2.202   1.907   0.843
  149    HB   ILE  15           HB       ILE  15   3.368   0.485  -1.064
  150   1HG1  ILE  15          2HG1      ILE  15   1.035   0.494  -1.003
  151   2HG1  ILE  15          1HG1      ILE  15   1.435  -1.205  -0.783
  152   1HG2  ILE  15          1HG2      ILE  15   3.266  -1.554   1.135
  153   2HG2  ILE  15          2HG2      ILE  15   4.751  -0.745   0.632
  154   3HG2  ILE  15          3HG2      ILE  15   3.863  -1.752  -0.512
  155   1HD1  ILE  15          1HD1      ILE  15   0.914  -1.133   1.507
  156   2HD1  ILE  15          2HD1      ILE  15  -0.383  -0.259   0.688
  157   3HD1  ILE  15          3HD1      ILE  15   0.892   0.634   1.523
  158    H    THR  16           H        THR  16   5.216   0.474   2.042
  159    HA   THR  16           HA       THR  16   4.194  -1.069   4.122
  160    HB   THR  16           HB       THR  16   6.802   0.286   3.601
  161    HG1  THR  16           1HG      THR  16   7.033  -1.635   2.844
  162   1HG2  THR  16          1HG2      THR  16   7.555  -1.058   5.741
  163   2HG2  THR  16          2HG2      THR  16   5.932  -0.626   6.276
  164   3HG2  THR  16          3HG2      THR  16   7.075   0.635   5.818
  165    H    ILE  17           H        ILE  17   5.835   1.976   4.578
  166    HA   ILE  17           HA       ILE  17   4.434   2.485   7.076
  167    HB   ILE  17           HB       ILE  17   6.799   2.658   7.150
  168   1HG1  ILE  17          2HG1      ILE  17   7.137   5.217   7.443
  169   2HG1  ILE  17          1HG1      ILE  17   5.414   5.330   7.094
  170   1HG2  ILE  17          1HG2      ILE  17   7.333   2.769   4.853
  171   2HG2  ILE  17          2HG2      ILE  17   7.989   4.250   5.577
  172   3HG2  ILE  17          3HG2      ILE  17   6.477   4.312   4.653
  173   1HD1  ILE  17          1HD1      ILE  17   6.386   3.468   9.216
  174   2HD1  ILE  17          2HD1      ILE  17   4.815   4.264   9.037
  175   3HD1  ILE  17          3HD1      ILE  17   6.223   5.198   9.544
  176    H    HIS  18           H        HIS  18   5.005   3.968   3.940
  177    HA   HIS  18           HA       HIS  18   3.844   6.445   4.444
  178   1HB   HIS  18          2HB       HIS  18   5.217   6.286   2.550
  179   2HB   HIS  18          1HB       HIS  18   4.377   4.850   1.959
  180    HD1  HIS  18           1HD      HIS  18   1.705   5.469   1.470
  181    HD2  HIS  18           2HD      HIS  18   4.547   8.452   1.057
  182    HE1  HIS  18           1HE      HIS  18   0.650   7.188  -0.050
  183    HE2  HIS  18           2HE      HIS  18   2.350   9.047  -0.177
  184    H    ASP  19           H        ASP  19   2.352   3.382   3.564
  185    HA   ASP  19           HA       ASP  19  -0.124   4.454   2.714
  186   1HB   ASP  19          2HB       ASP  19   0.660   2.113   2.302
  187   2HB   ASP  19          1HB       ASP  19   0.321   1.752   3.989
  188    H    ARG  20           H        ARG  20   0.763   2.947   5.834
  189    HA   ARG  20           HA       ARG  20  -1.624   3.707   7.142
  190   1HB   ARG  20          2HB       ARG  20  -0.342   3.249   9.243
  191   2HB   ARG  20          1HB       ARG  20  -0.294   1.933   8.080
  192   1HG   ARG  20          2HG       ARG  20   1.901   1.968   8.578
  193   2HG   ARG  20          1HG       ARG  20   1.928   3.240   7.353
  194   1HD   ARG  20          2HD       ARG  20   2.978   3.546   9.793
  195   2HD   ARG  20          1HD       ARG  20   2.285   4.881   8.872
  196    HE   ARG  20           HE       ARG  20   0.232   4.547  10.187
  197   1HH1  ARG  20          1HH1      ARG  20   3.228   3.247  11.402
  198   2HH1  ARG  20          2HH1      ARG  20   2.700   3.231  13.053
  199   1HH2  ARG  20          1HH2      ARG  20  -0.472   4.526  12.355
  200   2HH2  ARG  20          2HH2      ARG  20   0.597   3.956  13.593
  201    H    LYS  21           H        LYS  21   1.033   5.433   6.104
  202    HA   LYS  21           HA       LYS  21   1.167   7.487   8.068
  203   1HB   LYS  21          2HB       LYS  21   3.080   7.183   6.717
  204   2HB   LYS  21          1HB       LYS  21   2.129   7.216   5.236
  205   1HG   LYS  21          2HG       LYS  21   1.563   9.623   5.941
  206   2HG   LYS  21          1HG       LYS  21   2.975   9.480   6.986
  207   1HD   LYS  21          2HD       LYS  21   4.148   8.636   4.815
  208   2HD   LYS  21          1HD       LYS  21   2.811   9.450   3.999
  209   1HE   LYS  21          2HE       LYS  21   4.317  11.167   4.088
  210   2HE   LYS  21          1HE       LYS  21   3.476  11.422   5.617
  211   1HZ   LYS  21          1HZ       LYS  21   5.565   9.609   6.049
  212   2HZ   LYS  21          2HZ       LYS  21   5.391  11.174   6.668
  213   3HZ   LYS  21          3HZ       LYS  21   6.197  10.930   5.202
  214    H    GLU  22           H        GLU  22  -0.469   7.149   4.951
  215    HA   GLU  22           HA       GLU  22  -1.698   9.762   5.250
  216   1HB   GLU  22          2HB       GLU  22  -2.816   9.002   3.023
  217   2HB   GLU  22          1HB       GLU  22  -1.115   9.442   3.035
  218   1HG   GLU  22          2HG       GLU  22  -0.441   7.371   2.514
  219   2HG   GLU  22          1HG       GLU  22  -1.645   6.608   3.555
  220    H    PHE  23           H        PHE  23  -3.734   7.589   3.647
  221    HA   PHE  23           HA       PHE  23  -5.446   7.367   6.035
  222   1HB   PHE  23          2HB       PHE  23  -6.097   8.200   3.238
  223   2HB   PHE  23          1HB       PHE  23  -7.325   7.372   4.190
  224    HD1  PHE  23           1HD      PHE  23  -4.801  10.039   4.893
  225    HD2  PHE  23           2HD      PHE  23  -8.873   8.816   5.058
  226    HE1  PHE  23           1HE      PHE  23  -5.393  12.170   5.972
  227    HE2  PHE  23           2HE      PHE  23  -9.473  10.944   6.138
  228    HZ   PHE  23           HZ       PHE  23  -7.732  12.623   6.596
  229    H    ALA  24           H        ALA  24  -3.887   5.294   5.819
  230    HA   ALA  24           HA       ALA  24  -4.781   3.267   4.028
  231   1HB   ALA  24          1HB       ALA  24  -2.604   2.931   4.693
  232   2HB   ALA  24          2HB       ALA  24  -3.481   1.772   5.694
  233   3HB   ALA  24          3HB       ALA  24  -2.949   3.308   6.381
  234    H    LYS  25           H        LYS  25  -6.179   4.581   6.747
  235    HA   LYS  25           HA       LYS  25  -7.190   2.491   8.221
  236   1HB   LYS  25          2HB       LYS  25  -9.355   4.151   8.144
  237   2HB   LYS  25          1HB       LYS  25  -7.970   4.362   9.204
  238   1HG   LYS  25          2HG       LYS  25  -7.784   5.549   6.501
  239   2HG   LYS  25          1HG       LYS  25  -8.903   6.298   7.641
  240   1HD   LYS  25          2HD       LYS  25  -6.338   5.685   8.855
  241   2HD   LYS  25          1HD       LYS  25  -6.181   6.761   7.466
  242   1HE   LYS  25          2HE       LYS  25  -7.632   7.182  10.042
  243   2HE   LYS  25          1HE       LYS  25  -6.508   8.251   9.204
  244   1HZ   LYS  25          1HZ       LYS  25  -8.519   9.254   8.804
  245   2HZ   LYS  25          2HZ       LYS  25  -9.368   7.795   8.691
  246   3HZ   LYS  25          3HZ       LYS  25  -8.369   8.291   7.420
  247    H    PHE  26           H        PHE  26  -8.533   3.866   5.231
  248    HA   PHE  26           HA       PHE  26 -10.087   1.394   4.920
  249   1HB   PHE  26          2HB       PHE  26 -11.311   3.345   3.320
  250   2HB   PHE  26          1HB       PHE  26 -11.951   2.614   4.785
  251    HD1  PHE  26           1HD      PHE  26 -12.557   3.996   6.510
  252    HD2  PHE  26           2HD      PHE  26  -9.621   5.328   3.739
  253    HE1  PHE  26           1HE      PHE  26 -12.508   6.189   7.620
  254    HE2  PHE  26           2HE      PHE  26  -9.561   7.518   4.839
  255    HZ   PHE  26           HZ       PHE  26 -11.008   7.958   6.787
  256    H    GLU  27           H        GLU  27  -7.425   2.751   3.882
  257    HA   GLU  27           HA       GLU  27  -7.761   2.701   1.052
  258   1HB   GLU  27          2HB       GLU  27  -5.614   3.209   2.942
  259   2HB   GLU  27          1HB       GLU  27  -5.063   2.349   1.507
  260   1HG   GLU  27          2HG       GLU  27  -6.771   4.345   0.580
  261   2HG   GLU  27          1HG       GLU  27  -5.785   5.100   1.832
  262    H    GLU  28           H        GLU  28  -8.245   0.295   2.957
  263    HA   GLU  28           HA       GLU  28  -6.922  -1.688   1.237
  264   1HB   GLU  28          2HB       GLU  28  -7.576  -1.795   4.185
  265   2HB   GLU  28          1HB       GLU  28  -7.176  -3.230   3.246
  266   1HG   GLU  28          2HG       GLU  28  -5.295  -0.953   3.091
  267   2HG   GLU  28          1HG       GLU  28  -5.366  -1.841   4.614
  268    H    GLU  29           H        GLU  29  -9.746  -0.249   2.246
  269    HA   GLU  29           HA       GLU  29 -11.378  -2.504   1.299
  270   1HB   GLU  29          2HB       GLU  29 -12.325  -0.377   3.212
  271   2HB   GLU  29          1HB       GLU  29 -13.095  -1.914   2.830
  272   1HG   GLU  29          2HG       GLU  29 -12.078  -2.821   4.570
  273   2HG   GLU  29          1HG       GLU  29 -10.526  -2.528   3.791
  274    H    ARG  30           H        ARG  30 -11.674   1.035   1.777
  275    HA   ARG  30           HA       ARG  30 -12.970   1.170  -0.869
  276   1HB   ARG  30          2HB       ARG  30 -14.746   1.992   0.204
  277   2HB   ARG  30          1HB       ARG  30 -13.861   2.063   1.720
  278   1HG   ARG  30          2HG       ARG  30 -12.835   4.232   0.606
  279   2HG   ARG  30          1HG       ARG  30 -14.355   4.182  -0.293
  280   1HD   ARG  30          2HD       ARG  30 -13.903   4.485   2.652
  281   2HD   ARG  30          1HD       ARG  30 -14.854   5.498   1.566
  282    HE   ARG  30           HE       ARG  30 -16.129   3.097   1.503
  283   1HH1  ARG  30          1HH1      ARG  30 -15.153   5.265   4.054
  284   2HH1  ARG  30          2HH1      ARG  30 -16.454   4.817   5.106
  285   1HH2  ARG  30          1HH2      ARG  30 -17.845   2.506   2.880
  286   2HH2  ARG  30          2HH2      ARG  30 -17.985   3.249   4.439
  287    H    ALA  31           H        ALA  31 -10.997   3.032   1.437
  288    HA   ALA  31           HA       ALA  31 -10.469   5.218  -0.209
  289   1HB   ALA  31          1HB       ALA  31  -9.148   5.949   1.437
  290   2HB   ALA  31          2HB       ALA  31  -8.275   4.423   1.559
  291   3HB   ALA  31          3HB       ALA  31  -9.851   4.603   2.334
  292    H    ARG  32           H        ARG  32  -9.789   2.217  -1.112
  293    HA   ARG  32           HA       ARG  32  -7.212   2.931  -2.342
  294   1HB   ARG  32          2HB       ARG  32  -7.694   0.739  -0.913
  295   2HB   ARG  32          1HB       ARG  32  -8.238   0.153  -2.470
  296   1HG   ARG  32          2HG       ARG  32  -5.512   1.247  -1.804
  297   2HG   ARG  32          1HG       ARG  32  -5.928  -0.444  -2.131
  298   1HD   ARG  32          2HD       ARG  32  -6.663   1.592  -4.159
  299   2HD   ARG  32          1HD       ARG  32  -4.952   1.158  -4.015
  300    HE   ARG  32           HE       ARG  32  -6.930  -0.979  -4.342
  301   1HH1  ARG  32          1HH1      ARG  32  -4.299   0.901  -5.646
  302   2HH1  ARG  32          2HH1      ARG  32  -3.994  -0.198  -6.949
  303   1HH2  ARG  32          1HH2      ARG  32  -6.536  -2.425  -6.058
  304   2HH2  ARG  32          2HH2      ARG  32  -5.264  -2.085  -7.184
  305    H    ALA  33           H        ALA  33 -10.350   1.431  -2.935
  306    HA   ALA  33           HA       ALA  33 -10.081   1.065  -5.688
  307   1HB   ALA  33          1HB       ALA  33 -11.887   0.146  -4.341
  308   2HB   ALA  33          2HB       ALA  33 -12.500   0.994  -5.762
  309   3HB   ALA  33          3HB       ALA  33 -12.590   1.754  -4.169
  310    H    LYS  34           H        LYS  34 -10.149   3.848  -3.833
  311    HA   LYS  34           HA       LYS  34 -11.296   5.776  -5.533
  312   1HB   LYS  34          2HB       LYS  34  -8.830   6.342  -3.893
  313   2HB   LYS  34          1HB       LYS  34 -10.251   7.359  -4.144
  314   1HG   LYS  34          2HG       LYS  34 -10.197   4.827  -2.524
  315   2HG   LYS  34          1HG       LYS  34 -10.052   6.459  -1.857
  316   1HD   LYS  34          2HD       LYS  34 -12.369   5.797  -3.607
  317   2HD   LYS  34          1HD       LYS  34 -12.376   5.244  -1.932
  318   1HE   LYS  34          2HE       LYS  34 -12.433   7.390  -1.085
  319   2HE   LYS  34          1HE       LYS  34 -11.717   8.093  -2.535
  320   1HZ   LYS  34          1HZ       LYS  34 -14.173   6.920  -3.218
  321   2HZ   LYS  34          2HZ       LYS  34 -13.737   8.552  -3.274
  322   3HZ   LYS  34          3HZ       LYS  34 -14.420   7.908  -1.867
  323    H    TRP  35           H        TRP  35  -8.137   4.373  -5.204
  324    HA   TRP  35           HA       TRP  35  -6.953   5.759  -7.434
  325   1HB   TRP  35          2HB       TRP  35  -5.749   3.289  -6.267
  326   2HB   TRP  35          1HB       TRP  35  -4.964   4.804  -6.737
  327    HD1  TRP  35           HD       TRP  35  -5.062   2.994  -3.873
  328    HE1  TRP  35           1HE      TRP  35  -5.340   4.344  -1.726
  329    HE3  TRP  35           3HE      TRP  35  -6.865   7.342  -5.854
  330    HZ2  TRP  35           2HZ      TRP  35  -6.201   6.876  -0.948
  331    HZ3  TRP  35           3HZ      TRP  35  -7.403   9.192  -4.322
  332    HH2  TRP  35           HH       TRP  35  -7.070   8.969  -1.912
  333    H    ASP  36           H        ASP  36  -7.166   2.306  -6.716
  334    HA   ASP  36           HA       ASP  36  -7.205   0.502  -8.145
  335   1HB   ASP  36          2HB       ASP  36  -9.637   1.618  -7.616
  336   2HB   ASP  36          1HB       ASP  36  -9.680   1.492  -9.377
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1  14.399  -5.495   9.059
    2   2H    MET   1          2HT       MET   1  15.547  -4.480   9.778
    3   3H    MET   1          3HT       MET   1  15.391  -4.521   8.093
    4    HA   MET   1           HA       MET   1  14.384  -2.536   9.109
    5   1HB   MET   1          2HB       MET   1  11.979  -3.444   8.059
    6   2HB   MET   1          1HB       MET   1  13.273  -2.636   7.192
    7   1HG   MET   1          2HG       MET   1  12.742  -4.567   5.971
    8   2HG   MET   1          1HG       MET   1  14.276  -4.895   6.778
    9   1HE   MET   1          1HE       MET   1  10.919  -4.525   8.167
   10   2HE   MET   1          2HE       MET   1  11.059  -5.705   9.475
   11   3HE   MET   1          3HE       MET   1  10.157  -6.111   8.014
   12    H    TRP   2           H        TRP   2  11.437  -2.772   9.340
   13    HA   TRP   2           HA       TRP   2  11.296  -3.666  12.146
   14   1HB   TRP   2          2HB       TRP   2   9.337  -1.632  11.444
   15   2HB   TRP   2          1HB       TRP   2  10.527  -1.634  12.758
   16    HD1  TRP   2           HD       TRP   2  12.657  -0.084  12.379
   17    HE1  TRP   2           1HE      TRP   2  13.397   1.450  10.437
   18    HE3  TRP   2           3HE      TRP   2   9.217  -1.494   8.951
   19    HZ2  TRP   2           2HZ      TRP   2  12.580   1.961   7.759
   20    HZ3  TRP   2           3HZ      TRP   2   9.233  -0.477   6.734
   21    HH2  TRP   2           HH       TRP   2  10.889   1.218   6.140
   22    H    LYS   3           H        LYS   3   8.862  -2.574   9.789
   23    HA   LYS   3           HA       LYS   3   7.415  -5.091  10.236
   24   1HB   LYS   3          2HB       LYS   3   5.331  -3.824   9.964
   25   2HB   LYS   3          1HB       LYS   3   6.274  -3.260  11.335
   26   1HG   LYS   3          2HG       LYS   3   6.399  -1.930   8.644
   27   2HG   LYS   3          1HG       LYS   3   5.190  -1.506   9.859
   28   1HD   LYS   3          2HD       LYS   3   7.033  -1.023  11.444
   29   2HD   LYS   3          1HD       LYS   3   8.172  -1.349  10.135
   30   1HE   LYS   3          2HE       LYS   3   7.533   1.092  10.606
   31   2HE   LYS   3          1HE       LYS   3   7.553   0.521   8.939
   32   1HZ   LYS   3          1HZ       LYS   3   5.526   1.453   8.887
   33   2HZ   LYS   3          2HZ       LYS   3   5.325   1.405  10.564
   34   3HZ   LYS   3          3HZ       LYS   3   5.018   0.025   9.639
   35    H    VAL   4           H        VAL   4   8.479  -2.768   7.914
   36    HA   VAL   4           HA       VAL   4   7.028  -3.063   5.692
   37    HB   VAL   4           HB       VAL   4   8.892  -1.729   5.458
   38   1HG1  VAL   4          1HG1      VAL   4  10.200  -2.717   7.243
   39   2HG1  VAL   4          2HG1      VAL   4  11.186  -2.502   5.796
   40   3HG1  VAL   4          3HG1      VAL   4  10.573  -4.102   6.217
   41   1HG2  VAL   4          1HG2      VAL   4   9.545  -4.236   3.920
   42   2HG2  VAL   4          2HG2      VAL   4  10.217  -2.637   3.601
   43   3HG2  VAL   4          3HG2      VAL   4   8.489  -2.927   3.384
   44    H    GLY   5           H        GLY   5   9.383  -5.461   6.818
   45   1HA   GLY   5          2HA       GLY   5   9.613  -7.248   4.869
   46   2HA   GLY   5          1HA       GLY   5   9.282  -7.775   6.514
   47    H    PHE   6           H        PHE   6   6.716  -6.843   6.821
   48    HA   PHE   6           HA       PHE   6   5.254  -8.351   4.827
   49   1HB   PHE   6          2HB       PHE   6   4.093  -8.037   7.447
   50   2HB   PHE   6          1HB       PHE   6   4.050  -9.434   6.398
   51    HD1  PHE   6           1HD      PHE   6   5.898 -11.039   6.411
   52    HD2  PHE   6           2HD      PHE   6   5.784  -7.760   9.120
   53    HE1  PHE   6           1HE      PHE   6   7.613 -12.131   7.797
   54    HE2  PHE   6           2HE      PHE   6   7.500  -8.844  10.512
   55    HZ   PHE   6           HZ       PHE   6   8.416 -11.033   9.851
   56    H    PHE   7           H        PHE   7   5.796  -5.370   6.173
   57    HA   PHE   7           HA       PHE   7   3.102  -4.388   6.035
   58   1HB   PHE   7          2HB       PHE   7   5.632  -3.477   7.034
   59   2HB   PHE   7          1HB       PHE   7   4.864  -2.218   6.066
   60    HD1  PHE   7           1HD      PHE   7   3.948  -0.676   7.460
   61    HD2  PHE   7           2HD      PHE   7   3.476  -4.803   8.354
   62    HE1  PHE   7           1HE      PHE   7   2.475  -0.088   9.342
   63    HE2  PHE   7           2HE      PHE   7   1.999  -4.230  10.244
   64    HZ   PHE   7           HZ       PHE   7   1.496  -1.868  10.738
   65    H    LYS   8           H        LYS   8   5.993  -4.056   4.066
   66    HA   LYS   8           HA       LYS   8   5.156  -2.169   2.247
   67   1HB   LYS   8          2HB       LYS   8   6.771  -3.132   0.723
   68   2HB   LYS   8          1HB       LYS   8   7.410  -3.249   2.362
   69   1HG   LYS   8          2HG       LYS   8   6.084  -5.585   2.149
   70   2HG   LYS   8          1HG       LYS   8   6.651  -5.358   0.490
   71   1HD   LYS   8          2HD       LYS   8   8.941  -4.952   1.440
   72   2HD   LYS   8          1HD       LYS   8   8.295  -5.447   3.013
   73   1HE   LYS   8          2HE       LYS   8   8.506  -7.592   2.476
   74   2HE   LYS   8          1HE       LYS   8   7.547  -7.350   1.013
   75   1HZ   LYS   8          1HZ       LYS   8  10.194  -6.328   0.723
   76   2HZ   LYS   8          2HZ       LYS   8   9.366  -7.449  -0.235
   77   3HZ   LYS   8          3HZ       LYS   8  10.214  -7.972   1.132
   78    H    ARG   9           H        ARG   9   4.134  -5.426   2.726
   79    HA   ARG   9           HA       ARG   9   2.614  -5.467   0.220
   80   1HB   ARG   9          2HB       ARG   9   2.750  -7.803   2.075
   81   2HB   ARG   9          1HB       ARG   9   2.610  -7.781   0.322
   82   1HG   ARG   9          2HG       ARG   9   4.778  -8.203   0.199
   83   2HG   ARG   9          1HG       ARG   9   5.092  -6.622   0.918
   84   1HD   ARG   9          2HD       ARG   9   6.196  -8.018   2.383
   85   2HD   ARG   9          1HD       ARG   9   4.623  -7.857   3.163
   86    HE   ARG   9           HE       ARG   9   4.219 -10.078   2.752
   87   1HH1  ARG   9          1HH1      ARG   9   6.973  -9.042   0.887
   88   2HH1  ARG   9          2HH1      ARG   9   7.417 -10.648   0.411
   89   1HH2  ARG   9          1HH2      ARG   9   4.798 -12.194   2.136
   90   2HH2  ARG   9          2HH2      ARG   9   6.180 -12.439   1.120
   91    H    ASN  10           H        ASN  10   2.225  -6.369   3.635
   92    HA   ASN  10           HA       ASN  10  -0.561  -6.528   3.630
   93   1HB   ASN  10          2HB       ASN  10   1.304  -7.212   5.385
   94   2HB   ASN  10          1HB       ASN  10   0.729  -5.729   6.131
   95   1HD2  ASN  10          1HD2      ASN  10   0.469  -8.741   6.654
   96   2HD2  ASN  10          2HD2      ASN  10  -1.215  -8.940   6.988
   97    H    ARG  11           H        ARG  11   0.980  -4.237   5.737
   98    HA   ARG  11           HA       ARG  11  -1.114  -2.318   5.324
   99   1HB   ARG  11          2HB       ARG  11   1.017  -2.820   7.220
  100   2HB   ARG  11          1HB       ARG  11   0.815  -1.111   6.853
  101   1HG   ARG  11          2HG       ARG  11  -0.531  -1.579   8.746
  102   2HG   ARG  11          1HG       ARG  11  -1.621  -1.377   7.372
  103   1HD   ARG  11          2HD       ARG  11  -2.179  -3.307   8.851
  104   2HD   ARG  11          1HD       ARG  11  -1.909  -3.738   7.163
  105    HE   ARG  11           HE       ARG  11   0.440  -4.325   7.998
  106   1HH1  ARG  11          1HH1      ARG  11  -2.470  -4.643   9.888
  107   2HH1  ARG  11          2HH1      ARG  11  -1.855  -5.943  10.853
  108   1HH2  ARG  11          1HH2      ARG  11   1.259  -6.036   9.264
  109   2HH2  ARG  11          2HH2      ARG  11   0.265  -6.736  10.498
  110   1H    LYS  12          1HT       LYS  12   9.597   0.809  -0.207
  111   2H    LYS  12          2HT       LYS  12  10.819   0.610   0.946
  112   3H    LYS  12          3HT       LYS  12  10.059   2.112   0.770
  113    HA   LYS  12           HA       LYS  12   8.130   0.110   1.260
  114   1HB   LYS  12          2HB       LYS  12   8.853  -0.891   3.205
  115   2HB   LYS  12          1HB       LYS  12  10.381  -0.739   2.347
  116   1HG   LYS  12          2HG       LYS  12   9.387   1.232   4.393
  117   2HG   LYS  12          1HG       LYS  12  10.466  -0.117   4.748
  118   1HD   LYS  12          2HD       LYS  12  11.086   2.011   2.705
  119   2HD   LYS  12          1HD       LYS  12  11.611   2.092   4.388
  120   1HE   LYS  12          2HE       LYS  12  12.274  -0.119   2.449
  121   2HE   LYS  12          1HE       LYS  12  13.356   1.199   2.898
  122   1HZ   LYS  12          1HZ       LYS  12  13.936   0.140   4.745
  123   2HZ   LYS  12          2HZ       LYS  12  13.126  -1.224   4.157
  124   3HZ   LYS  12          3HZ       LYS  12  12.329  -0.148   5.191
  125    H    LEU  13           H        LEU  13   9.888   3.004   2.028
  126    HA   LEU  13           HA       LEU  13   7.969   3.971   3.924
  127   1HB   LEU  13          2HB       LEU  13  10.568   4.634   3.251
  128   2HB   LEU  13          1HB       LEU  13   9.633   6.011   2.692
  129    HG   LEU  13           HG       LEU  13   8.667   5.434   5.265
  130   1HD1  LEU  13          1HD1      LEU  13  10.917   5.784   6.487
  131   2HD1  LEU  13          2HD1      LEU  13  11.627   5.085   5.031
  132   3HD1  LEU  13          3HD1      LEU  13  10.461   4.159   5.976
  133   1HD2  LEU  13          1HD2      LEU  13   8.660   7.648   4.851
  134   2HD2  LEU  13          2HD2      LEU  13  10.131   7.581   3.880
  135   3HD2  LEU  13          3HD2      LEU  13  10.236   7.590   5.640
  136    H    LEU  14           H        LEU  14   6.922   3.161   1.402
  137    HA   LEU  14           HA       LEU  14   5.552   5.637   0.651
  138   1HB   LEU  14          2HB       LEU  14   6.476   5.559  -1.384
  139   2HB   LEU  14          1HB       LEU  14   7.247   4.025  -1.036
  140    HG   LEU  14           HG       LEU  14   4.860   3.050  -1.570
  141   1HD1  LEU  14          1HD1      LEU  14   3.858   5.327  -1.775
  142   2HD1  LEU  14          2HD1      LEU  14   3.621   4.295  -3.186
  143   3HD1  LEU  14          3HD1      LEU  14   4.840   5.568  -3.220
  144   1HD2  LEU  14          1HD2      LEU  14   5.544   2.928  -3.979
  145   2HD2  LEU  14          2HD2      LEU  14   6.780   2.429  -2.825
  146   3HD2  LEU  14          3HD2      LEU  14   6.873   4.017  -3.585
  147    H    ILE  15           H        ILE  15   5.614   2.219   1.144
  148    HA   ILE  15           HA       ILE  15   2.675   2.141   0.988
  149    HB   ILE  15           HB       ILE  15   3.318   0.751  -0.761
  150   1HG1  ILE  15          2HG1      ILE  15   2.765  -1.509  -0.087
  151   2HG1  ILE  15          1HG1      ILE  15   3.185  -1.149   1.584
  152   1HG2  ILE  15          1HG2      ILE  15   5.106  -1.108  -0.241
  153   2HG2  ILE  15          2HG2      ILE  15   5.624   0.049   0.985
  154   3HG2  ILE  15          3HG2      ILE  15   5.598   0.520  -0.716
  155   1HD1  ILE  15          1HD1      ILE  15   0.912  -1.026   1.642
  156   2HD1  ILE  15          2HD1      ILE  15   0.792  -0.351   0.017
  157   3HD1  ILE  15          3HD1      ILE  15   1.336   0.663   1.357
  158    H    THR  16           H        THR  16   5.378   0.279   2.363
  159    HA   THR  16           HA       THR  16   4.236  -1.095   4.367
  160    HB   THR  16           HB       THR  16   6.847   0.361   4.199
  161    HG1  THR  16           1HG      THR  16   7.357  -1.472   3.395
  162   1HG2  THR  16          1HG2      THR  16   7.367  -1.240   6.274
  163   2HG2  THR  16          2HG2      THR  16   5.719  -0.760   6.674
  164   3HG2  THR  16          3HG2      THR  16   6.964   0.469   6.437
  165    H    ILE  17           H        ILE  17   5.839   1.877   5.173
  166    HA   ILE  17           HA       ILE  17   4.197   2.304   7.514
  167    HB   ILE  17           HB       ILE  17   6.554   2.496   7.758
  168   1HG1  ILE  17          2HG1      ILE  17   6.811   5.026   8.254
  169   2HG1  ILE  17          1HG1      ILE  17   5.124   5.149   7.763
  170   1HG2  ILE  17          1HG2      ILE  17   7.194   2.773   5.481
  171   2HG2  ILE  17          2HG2      ILE  17   7.835   4.163   6.377
  172   3HG2  ILE  17          3HG2      ILE  17   6.379   4.348   5.381
  173   1HD1  ILE  17          1HD1      ILE  17   5.889   3.129   9.814
  174   2HD1  ILE  17          2HD1      ILE  17   4.370   4.007   9.588
  175   3HD1  ILE  17          3HD1      ILE  17   5.772   4.834  10.269
  176    H    HIS  18           H        HIS  18   5.023   4.001   4.536
  177    HA   HIS  18           HA       HIS  18   3.787   6.422   5.063
  178   1HB   HIS  18          2HB       HIS  18   5.311   6.361   3.284
  179   2HB   HIS  18          1HB       HIS  18   4.537   4.955   2.554
  180    HD1  HIS  18           1HD      HIS  18   2.020   5.509   1.670
  181    HD2  HIS  18           2HD      HIS  18   4.665   8.678   2.018
  182    HE1  HIS  18           1HE      HIS  18   1.080   7.326   0.194
  183    HE2  HIS  18           2HE      HIS  18   2.766   9.196   0.336
  184    H    ASP  19           H        ASP  19   2.334   3.396   4.300
  185    HA   ASP  19           HA       ASP  19  -0.010   4.334   3.039
  186   1HB   ASP  19          2HB       ASP  19   0.483   2.045   2.854
  187   2HB   ASP  19          1HB       ASP  19   0.602   1.829   4.588
  188    H    ARG  20           H        ARG  20   0.498   3.350   6.443
  189    HA   ARG  20           HA       ARG  20  -2.020   4.333   7.315
  190   1HB   ARG  20          2HB       ARG  20  -0.824   4.283   9.614
  191   2HB   ARG  20          1HB       ARG  20  -1.086   2.762   8.771
  192   1HG   ARG  20          2HG       ARG  20   1.097   2.357   8.625
  193   2HG   ARG  20          1HG       ARG  20   1.447   3.997   8.073
  194   1HD   ARG  20          2HD       ARG  20   2.495   3.323  10.271
  195   2HD   ARG  20          1HD       ARG  20   1.564   4.821  10.284
  196    HE   ARG  20           HE       ARG  20  -0.257   3.520  11.314
  197   1HH1  ARG  20          1HH1      ARG  20   2.989   2.260  11.442
  198   2HH1  ARG  20          2HH1      ARG  20   2.696   1.291  12.847
  199   1HH2  ARG  20          1HH2      ARG  20  -0.653   2.247  13.166
  200   2HH2  ARG  20          2HH2      ARG  20   0.625   1.283  13.826
  201    H    LYS  21           H        LYS  21   0.564   5.894   6.126
  202    HA   LYS  21           HA       LYS  21   0.511   8.232   7.847
  203   1HB   LYS  21          2HB       LYS  21   2.671   7.595   7.102
  204   2HB   LYS  21          1HB       LYS  21   2.109   7.387   5.442
  205   1HG   LYS  21          2HG       LYS  21   1.574   9.969   5.711
  206   2HG   LYS  21          1HG       LYS  21   2.865   9.854   6.908
  207   1HD   LYS  21          2HD       LYS  21   4.382   8.973   5.259
  208   2HD   LYS  21          1HD       LYS  21   3.091   8.892   4.058
  209   1HE   LYS  21          2HE       LYS  21   4.425  10.831   3.608
  210   2HE   LYS  21          1HE       LYS  21   2.861  11.359   4.225
  211   1HZ   LYS  21          1HZ       LYS  21   4.911  10.979   6.233
  212   2HZ   LYS  21          2HZ       LYS  21   3.784  12.228   6.059
  213   3HZ   LYS  21          3HZ       LYS  21   5.207  12.242   5.145
  214    H    GLU  22           H        GLU  22  -0.353   7.292   4.547
  215    HA   GLU  22           HA       GLU  22  -1.246   9.936   3.869
  216   1HB   GLU  22          2HB       GLU  22  -2.117   8.683   1.788
  217   2HB   GLU  22          1HB       GLU  22  -0.380   8.801   2.033
  218   1HG   GLU  22          2HG       GLU  22  -0.136   6.588   2.261
  219   2HG   GLU  22          1HG       GLU  22  -1.608   6.423   3.224
  220    H    PHE  23           H        PHE  23  -3.335   7.507   2.711
  221    HA   PHE  23           HA       PHE  23  -5.440   8.417   4.558
  222   1HB   PHE  23          2HB       PHE  23  -5.616   7.825   1.605
  223   2HB   PHE  23          1HB       PHE  23  -7.011   8.124   2.636
  224    HD1  PHE  23           1HD      PHE  23  -4.914   9.590   0.339
  225    HD2  PHE  23           2HD      PHE  23  -6.681  10.361   4.133
  226    HE1  PHE  23           1HE      PHE  23  -4.665  12.007  -0.042
  227    HE2  PHE  23           2HE      PHE  23  -6.436  12.781   3.758
  228    HZ   PHE  23           HZ       PHE  23  -5.428  13.606   1.669
  229    H    ALA  24           H        ALA  24  -3.914   6.099   5.087
  230    HA   ALA  24           HA       ALA  24  -5.074   3.730   4.145
  231   1HB   ALA  24          1HB       ALA  24  -3.031   3.406   5.174
  232   2HB   ALA  24          2HB       ALA  24  -4.170   2.789   6.373
  233   3HB   ALA  24          3HB       ALA  24  -3.465   4.394   6.570
  234    H    LYS  25           H        LYS  25  -6.424   6.110   6.055
  235    HA   LYS  25           HA       LYS  25  -7.881   4.819   8.003
  236   1HB   LYS  25          2HB       LYS  25  -9.686   6.682   7.134
  237   2HB   LYS  25          1HB       LYS  25  -8.368   6.997   8.251
  238   1HG   LYS  25          2HG       LYS  25  -7.817   7.212   5.341
  239   2HG   LYS  25          1HG       LYS  25  -8.768   8.483   6.112
  240   1HD   LYS  25          2HD       LYS  25  -6.086   7.545   7.123
  241   2HD   LYS  25          1HD       LYS  25  -6.297   8.915   6.030
  242   1HE   LYS  25          2HE       LYS  25  -8.011   9.684   7.882
  243   2HE   LYS  25          1HE       LYS  25  -7.027   8.638   8.905
  244   1HZ   LYS  25          1HZ       LYS  25  -6.354  11.047   8.790
  245   2HZ   LYS  25          2HZ       LYS  25  -5.846  10.753   7.204
  246   3HZ   LYS  25          3HZ       LYS  25  -5.125   9.925   8.490
  247    H    PHE  26           H        PHE  26  -8.677   5.170   4.563
  248    HA   PHE  26           HA       PHE  26 -10.816   3.197   4.968
  249   1HB   PHE  26          2HB       PHE  26 -11.289   4.346   2.485
  250   2HB   PHE  26          1HB       PHE  26 -12.178   4.662   3.970
  251    HD1  PHE  26           1HD      PHE  26 -12.077   6.756   5.020
  252    HD2  PHE  26           2HD      PHE  26  -9.363   5.817   1.886
  253    HE1  PHE  26           1HE      PHE  26 -11.361   9.106   4.942
  254    HE2  PHE  26           2HE      PHE  26  -8.639   8.158   1.801
  255    HZ   PHE  26           HZ       PHE  26  -9.637   9.814   3.330
  256    H    GLU  27           H        GLU  27  -7.779   3.287   4.081
  257    HA   GLU  27           HA       GLU  27  -7.885   1.916   1.567
  258   1HB   GLU  27          2HB       GLU  27  -5.822   2.870   3.403
  259   2HB   GLU  27          1HB       GLU  27  -5.408   1.360   2.597
  260   1HG   GLU  27          2HG       GLU  27  -6.449   2.896   0.575
  261   2HG   GLU  27          1HG       GLU  27  -5.555   4.055   1.555
  262    H    GLU  28           H        GLU  28  -9.092   0.994   4.275
  263    HA   GLU  28           HA       GLU  28  -8.242  -1.806   4.011
  264   1HB   GLU  28          2HB       GLU  28  -8.952  -0.203   6.465
  265   2HB   GLU  28          1HB       GLU  28  -9.010  -1.965   6.461
  266   1HG   GLU  28          2HG       GLU  28  -6.536  -0.595   5.532
  267   2HG   GLU  28          1HG       GLU  28  -6.877  -0.676   7.262
  268    H    GLU  29           H        GLU  29 -10.569   0.417   3.478
  269    HA   GLU  29           HA       GLU  29 -12.752  -1.551   3.639
  270   1HB   GLU  29          2HB       GLU  29 -12.812   1.445   4.020
  271   2HB   GLU  29          1HB       GLU  29 -14.262   0.477   3.775
  272   1HG   GLU  29          2HG       GLU  29 -12.433  -0.397   5.922
  273   2HG   GLU  29          1HG       GLU  29 -13.312   1.109   6.184
  274    H    ARG  30           H        ARG  30 -12.130   1.564   1.997
  275    HA   ARG  30           HA       ARG  30 -12.989   0.299  -0.525
  276   1HB   ARG  30          2HB       ARG  30 -14.641   1.810  -0.540
  277   2HB   ARG  30          1HB       ARG  30 -13.956   2.661   0.835
  278   1HG   ARG  30          2HG       ARG  30 -12.295   3.577  -1.009
  279   2HG   ARG  30          1HG       ARG  30 -13.656   3.191  -2.068
  280   1HD   ARG  30          2HD       ARG  30 -13.425   5.231   0.079
  281   2HD   ARG  30          1HD       ARG  30 -14.179   5.348  -1.510
  282    HE   ARG  30           HE       ARG  30 -15.987   3.902  -0.508
  283   1HH1  ARG  30          1HH1      ARG  30 -14.021   6.030   1.430
  284   2HH1  ARG  30          2HH1      ARG  30 -15.228   6.242   2.653
  285   1HH2  ARG  30          1HH2      ARG  30 -17.583   4.178   1.099
  286   2HH2  ARG  30          2HH2      ARG  30 -17.251   5.189   2.466
  287    H    ALA  31           H        ALA  31 -10.926   2.828   0.870
  288    HA   ALA  31           HA       ALA  31  -9.651   3.627  -1.476
  289   1HB   ALA  31          1HB       ALA  31  -8.305   4.887  -0.175
  290   2HB   ALA  31          2HB       ALA  31  -8.051   3.602   1.004
  291   3HB   ALA  31          3HB       ALA  31  -9.558   4.525   1.015
  292    H    ARG  32           H        ARG  32  -9.680   0.568  -0.554
  293    HA   ARG  32           HA       ARG  32  -6.862   0.090  -1.237
  294   1HB   ARG  32          2HB       ARG  32  -8.171  -0.884   0.882
  295   2HB   ARG  32          1HB       ARG  32  -8.539  -2.143  -0.276
  296   1HG   ARG  32          2HG       ARG  32  -5.798  -1.182   0.514
  297   2HG   ARG  32          1HG       ARG  32  -6.557  -2.714   0.985
  298   1HD   ARG  32          2HD       ARG  32  -6.423  -2.082  -1.905
  299   2HD   ARG  32          1HD       ARG  32  -4.902  -2.509  -1.101
  300    HE   ARG  32           HE       ARG  32  -6.849  -4.405  -0.402
  301   1HH1  ARG  32          1HH1      ARG  32  -5.017  -3.374  -3.183
  302   2HH1  ARG  32          2HH1      ARG  32  -5.045  -4.933  -3.938
  303   1HH2  ARG  32          1HH2      ARG  32  -6.888  -6.457  -1.386
  304   2HH2  ARG  32          2HH2      ARG  32  -6.108  -6.687  -2.915
  305    H    ALA  33           H        ALA  33 -10.174  -0.976  -1.873
  306    HA   ALA  33           HA       ALA  33  -9.522  -2.802  -3.899
  307   1HB   ALA  33          1HB       ALA  33 -11.667  -2.913  -3.022
  308   2HB   ALA  33          2HB       ALA  33 -11.887  -2.371  -4.687
  309   3HB   ALA  33          3HB       ALA  33 -12.008  -1.216  -3.356
  310    H    LYS  34           H        LYS  34  -9.088   0.463  -3.728
  311    HA   LYS  34           HA       LYS  34  -9.498   1.326  -6.393
  312   1HB   LYS  34          2HB       LYS  34  -7.281   2.375  -4.637
  313   2HB   LYS  34          1HB       LYS  34  -8.323   3.264  -5.749
  314   1HG   LYS  34          2HG       LYS  34  -9.131   2.082  -3.100
  315   2HG   LYS  34          1HG       LYS  34  -8.821   3.792  -3.431
  316   1HD   LYS  34          2HD       LYS  34 -10.808   2.402  -5.131
  317   2HD   LYS  34          1HD       LYS  34 -11.273   2.756  -3.467
  318   1HE   LYS  34          2HE       LYS  34 -11.210   5.027  -3.790
  319   2HE   LYS  34          1HE       LYS  34 -10.023   4.917  -5.088
  320   1HZ   LYS  34          1HZ       LYS  34 -12.484   5.491  -5.615
  321   2HZ   LYS  34          2HZ       LYS  34 -12.715   3.819  -5.511
  322   3HZ   LYS  34          3HZ       LYS  34 -11.625   4.453  -6.639
  323    H    TRP  35           H        TRP  35  -6.956  -0.183  -4.603
  324    HA   TRP  35           HA       TRP  35  -5.046  -0.277  -6.757
  325   1HB   TRP  35          2HB       TRP  35  -4.864  -1.963  -4.284
  326   2HB   TRP  35          1HB       TRP  35  -3.572  -1.141  -5.172
  327    HD1  TRP  35           HD       TRP  35  -4.513  -1.015  -1.956
  328    HE1  TRP  35           1HE      TRP  35  -4.701   1.312  -0.917
  329    HE3  TRP  35           3HE      TRP  35  -4.856   1.782  -6.225
  330    HZ2  TRP  35           2HZ      TRP  35  -4.964   3.953  -1.752
  331    HZ3  TRP  35           3HZ      TRP  35  -5.084   4.223  -6.007
  332    HH2  TRP  35           HH       TRP  35  -5.129   5.294  -3.811
  333    H    ASP  36           H        ASP  36  -7.445  -2.322  -5.282
  334    HA   ASP  36           HA       ASP  36  -6.798  -4.846  -6.094
  335   1HB   ASP  36          2HB       ASP  36  -9.031  -3.603  -5.033
  336   2HB   ASP  36          1HB       ASP  36  -9.621  -4.293  -6.543
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1  15.060  -5.016   9.914
    2   2H    MET   1          2HT       MET   1  14.873  -5.111   8.236
    3   3H    MET   1          3HT       MET   1  13.828  -5.967   9.253
    4    HA   MET   1           HA       MET   1  14.034  -3.018   9.206
    5   1HB   MET   1          2HB       MET   1  11.576  -3.710   8.170
    6   2HB   MET   1          1HB       MET   1  12.959  -3.115   7.266
    7   1HG   MET   1          2HG       MET   1  12.125  -5.053   6.185
    8   2HG   MET   1          1HG       MET   1  13.679  -5.456   6.917
    9   1HE   MET   1          1HE       MET   1  10.396  -4.750   8.349
   10   2HE   MET   1          2HE       MET   1  10.421  -5.850   9.731
   11   3HE   MET   1          3HE       MET   1   9.530  -6.287   8.272
   12    H    TRP   2           H        TRP   2  11.079  -3.028   9.439
   13    HA   TRP   2           HA       TRP   2  10.880  -3.837  12.267
   14   1HB   TRP   2          2HB       TRP   2   9.064  -1.694  11.500
   15   2HB   TRP   2          1HB       TRP   2  10.245  -1.740  12.822
   16    HD1  TRP   2           HD       TRP   2  12.481  -0.348  12.416
   17    HE1  TRP   2           1HE      TRP   2  13.334   1.075  10.436
   18    HE3  TRP   2           3HE      TRP   2   8.969  -1.614   9.004
   19    HZ2  TRP   2           2HZ      TRP   2  12.567   1.562   7.732
   20    HZ3  TRP   2           3HZ      TRP   2   9.066  -0.666   6.760
   21    HH2  TRP   2           HH       TRP   2  10.836   0.893   6.128
   22    H    LYS   3           H        LYS   3   8.547  -2.668   9.841
   23    HA   LYS   3           HA       LYS   3   6.926  -5.060  10.371
   24   1HB   LYS   3          2HB       LYS   3   4.934  -3.666  10.017
   25   2HB   LYS   3          1HB       LYS   3   5.895  -3.119  11.383
   26   1HG   LYS   3          2HG       LYS   3   6.161  -1.894   8.653
   27   2HG   LYS   3          1HG       LYS   3   4.950  -1.351   9.818
   28   1HD   LYS   3          2HD       LYS   3   6.787  -0.951  11.443
   29   2HD   LYS   3          1HD       LYS   3   7.929  -1.368  10.162
   30   1HE   LYS   3          2HE       LYS   3   7.519   0.534   8.970
   31   2HE   LYS   3          1HE       LYS   3   5.892   0.729   9.625
   32   1HZ   LYS   3          1HZ       LYS   3   8.112   0.970  11.502
   33   2HZ   LYS   3          2HZ       LYS   3   6.654   1.826  11.437
   34   3HZ   LYS   3          3HZ       LYS   3   7.920   2.230  10.389
   35    H    VAL   4           H        VAL   4   8.106  -2.854   7.974
   36    HA   VAL   4           HA       VAL   4   6.665  -3.167   5.750
   37    HB   VAL   4           HB       VAL   4   8.597  -1.929   5.483
   38   1HG1  VAL   4          1HG1      VAL   4   9.813  -2.990   7.327
   39   2HG1  VAL   4          2HG1      VAL   4  10.829  -2.730   5.910
   40   3HG1  VAL   4          3HG1      VAL   4  10.203  -4.342   6.264
   41   1HG2  VAL   4          1HG2      VAL   4   9.837  -2.898   3.639
   42   2HG2  VAL   4          2HG2      VAL   4   8.115  -3.246   3.464
   43   3HG2  VAL   4          3HG2      VAL   4   9.216  -4.499   4.040
   44    H    GLY   5           H        GLY   5   8.934  -5.620   6.946
   45   1HA   GLY   5          2HA       GLY   5   9.088  -7.464   5.047
   46   2HA   GLY   5          1HA       GLY   5   8.744  -7.938   6.704
   47    H    PHE   6           H        PHE   6   6.207  -6.924   6.989
   48    HA   PHE   6           HA       PHE   6   4.705  -8.420   5.015
   49   1HB   PHE   6          2HB       PHE   6   3.526  -8.054   7.612
   50   2HB   PHE   6          1HB       PHE   6   3.522  -9.486   6.605
   51    HD1  PHE   6           1HD      PHE   6   4.923  -7.884   9.475
   52    HD2  PHE   6           2HD      PHE   6   5.645 -10.883   6.545
   53    HE1  PHE   6           1HE      PHE   6   6.629  -8.892  10.934
   54    HE2  PHE   6           2HE      PHE   6   7.351 -11.898   7.998
   55    HZ   PHE   6           HZ       PHE   6   7.847 -10.901  10.195
   56    H    PHE   7           H        PHE   7   5.327  -5.446   6.364
   57    HA   PHE   7           HA       PHE   7   2.665  -4.400   6.214
   58   1HB   PHE   7          2HB       PHE   7   5.214  -3.552   7.226
   59   2HB   PHE   7          1HB       PHE   7   4.472  -2.266   6.269
   60    HD1  PHE   7           1HD      PHE   7   3.049  -4.853   8.536
   61    HD2  PHE   7           2HD      PHE   7   3.556  -0.727   7.669
   62    HE1  PHE   7           1HE      PHE   7   1.560  -4.285  10.419
   63    HE2  PHE   7           2HE      PHE   7   2.070  -0.143   9.545
   64    HZ   PHE   7           HZ       PHE   7   1.069  -1.922  10.922
   65    H    LYS   8           H        LYS   8   5.552  -4.180   4.223
   66    HA   LYS   8           HA       LYS   8   4.800  -2.233   2.433
   67   1HB   LYS   8          2HB       LYS   8   6.331  -3.277   0.868
   68   2HB   LYS   8          1HB       LYS   8   6.997  -3.400   2.494
   69   1HG   LYS   8          2HG       LYS   8   5.592  -5.699   2.335
   70   2HG   LYS   8          1HG       LYS   8   6.114  -5.501   0.659
   71   1HD   LYS   8          2HD       LYS   8   8.444  -5.156   1.559
   72   2HD   LYS   8          1HD       LYS   8   7.814  -5.654   3.137
   73   1HE   LYS   8          2HE       LYS   8   8.118  -7.775   2.549
   74   2HE   LYS   8          1HE       LYS   8   6.915  -7.559   1.273
   75   1HZ   LYS   8          1HZ       LYS   8   9.220  -6.462   0.270
   76   2HZ   LYS   8          2HZ       LYS   8   8.559  -7.961  -0.148
   77   3HZ   LYS   8          3HZ       LYS   8   9.744  -7.866   1.057
   78    H    ARG   9           H        ARG   9   3.675  -5.471   2.840
   79    HA   ARG   9           HA       ARG   9   2.127  -5.361   0.365
   80   1HB   ARG   9          2HB       ARG   9   2.106  -7.755   2.134
   81   2HB   ARG   9          1HB       ARG   9   2.065  -7.666   0.378
   82   1HG   ARG   9          2HG       ARG   9   4.210  -8.220   0.382
   83   2HG   ARG   9          1HG       ARG   9   4.561  -6.656   1.122
   84   1HD   ARG   9          2HD       ARG   9   5.530  -8.172   2.597
   85   2HD   ARG   9          1HD       ARG   9   3.973  -7.812   3.343
   86    HE   ARG   9           HE       ARG   9   3.249  -9.963   2.844
   87   1HH1  ARG   9          1HH1      ARG   9   6.413  -9.374   1.507
   88   2HH1  ARG   9          2HH1      ARG   9   6.731 -11.046   1.192
   89   1HH2  ARG   9          1HH2      ARG   9   3.657 -12.165   2.427
   90   2HH2  ARG   9          2HH2      ARG   9   5.165 -12.633   1.715
   91    H    ASN  10           H        ASN  10   1.792  -5.842   3.855
   92    HA   ASN  10           HA       ASN  10  -1.018  -6.141   3.845
   93   1HB   ASN  10          2HB       ASN  10   0.897  -6.584   5.668
   94   2HB   ASN  10          1HB       ASN  10   0.180  -5.109   6.295
   95   1HD2  ASN  10          1HD2      ASN  10  -2.376  -5.253   6.002
   96   2HD2  ASN  10          2HD2      ASN  10  -3.063  -6.676   6.700
   97    H    ARG  11           H        ARG  11   0.625  -3.595   5.632
   98    HA   ARG  11           HA       ARG  11  -1.494  -1.799   5.571
   99   1HB   ARG  11          2HB       ARG  11   0.918  -1.913   6.815
  100   2HB   ARG  11          1HB       ARG  11   1.164  -0.570   5.710
  101   1HG   ARG  11          2HG       ARG  11   0.400   0.252   7.836
  102   2HG   ARG  11          1HG       ARG  11  -0.858   0.507   6.624
  103   1HD   ARG  11          2HD       ARG  11  -1.388  -0.506   9.019
  104   2HD   ARG  11          1HD       ARG  11  -2.270  -1.003   7.576
  105    HE   ARG  11           HE       ARG  11   0.063  -2.596   8.166
  106   1HH1  ARG  11          1HH1      ARG  11  -3.358  -2.185   8.687
  107   2HH1  ARG  11          2HH1      ARG  11  -3.629  -3.852   9.071
  108   1HH2  ARG  11          1HH2      ARG  11  -0.285  -4.790   8.668
  109   2HH2  ARG  11          2HH2      ARG  11  -1.882  -5.332   9.063
  110   1H    LYS  12          1HT       LYS  12   9.610   0.577  -0.190
  111   2H    LYS  12          2HT       LYS  12  10.748   0.107   0.969
  112   3H    LYS  12          3HT       LYS  12  10.251   1.721   0.878
  113    HA   LYS  12           HA       LYS  12   8.040  -0.040   1.215
  114   1HB   LYS  12          2HB       LYS  12   8.548  -1.058   3.238
  115   2HB   LYS  12          1HB       LYS  12  10.087  -1.163   2.393
  116   1HG   LYS  12          2HG       LYS  12   9.373   0.977   4.389
  117   2HG   LYS  12          1HG       LYS  12  10.280  -0.491   4.762
  118   1HD   LYS  12          2HD       LYS  12  11.098   1.726   2.889
  119   2HD   LYS  12          1HD       LYS  12  11.839   1.309   4.435
  120   1HE   LYS  12          2HE       LYS  12  11.684  -0.686   2.211
  121   2HE   LYS  12          1HE       LYS  12  12.969   0.521   2.247
  122   1HZ   LYS  12          1HZ       LYS  12  13.632  -1.573   3.291
  123   2HZ   LYS  12          2HZ       LYS  12  12.386  -1.414   4.425
  124   3HZ   LYS  12          3HZ       LYS  12  13.654  -0.294   4.399
  125    H    LEU  13           H        LEU  13  10.040   2.680   2.012
  126    HA   LEU  13           HA       LEU  13   8.193   3.842   3.867
  127   1HB   LEU  13          2HB       LEU  13  10.834   4.305   3.213
  128   2HB   LEU  13          1HB       LEU  13  10.013   5.706   2.549
  129    HG   LEU  13           HG       LEU  13   8.927   5.449   5.092
  130   1HD1  LEU  13          1HD1      LEU  13  11.895   4.942   5.193
  131   2HD1  LEU  13          2HD1      LEU  13  10.625   3.833   5.712
  132   3HD1  LEU  13          3HD1      LEU  13  10.877   5.353   6.572
  133   1HD2  LEU  13          1HD2      LEU  13   9.291   7.605   4.564
  134   2HD2  LEU  13          2HD2      LEU  13  10.768   7.250   3.668
  135   3HD2  LEU  13          3HD2      LEU  13  10.807   7.355   5.428
  136    H    LEU  14           H        LEU  14   7.115   3.040   1.342
  137    HA   LEU  14           HA       LEU  14   5.935   5.586   0.507
  138   1HB   LEU  14          2HB       LEU  14   7.081   5.332  -1.426
  139   2HB   LEU  14          1HB       LEU  14   7.393   3.633  -1.135
  140    HG   LEU  14           HG       LEU  14   4.964   3.229  -1.829
  141   1HD1  LEU  14          1HD1      LEU  14   4.276   5.602  -1.622
  142   2HD1  LEU  14          2HD1      LEU  14   3.916   4.904  -3.202
  143   3HD1  LEU  14          3HD1      LEU  14   5.297   5.983  -3.009
  144   1HD2  LEU  14          1HD2      LEU  14   6.145   4.219  -4.265
  145   2HD2  LEU  14          2HD2      LEU  14   5.869   2.558  -3.745
  146   3HD2  LEU  14          3HD2      LEU  14   7.344   3.398  -3.268
  147    H    ILE  15           H        ILE  15   5.715   2.112   0.899
  148    HA   ILE  15           HA       ILE  15   2.786   2.354   0.834
  149    HB   ILE  15           HB       ILE  15   4.014   1.007  -1.030
  150   1HG1  ILE  15          2HG1      ILE  15   1.691   1.009  -1.121
  151   2HG1  ILE  15          1HG1      ILE  15   2.075  -0.703  -0.980
  152   1HG2  ILE  15          1HG2      ILE  15   3.682  -1.506   0.240
  153   2HG2  ILE  15          2HG2      ILE  15   4.767  -0.521   1.225
  154   3HG2  ILE  15          3HG2      ILE  15   5.138  -0.804  -0.472
  155   1HD1  ILE  15          1HD1      ILE  15   1.383   0.996   1.392
  156   2HD1  ILE  15          2HD1      ILE  15   1.407  -0.767   1.269
  157   3HD1  ILE  15          3HD1      ILE  15   0.166   0.160   0.423
  158    H    THR  16           H        THR  16   5.487   0.504   2.228
  159    HA   THR  16           HA       THR  16   4.187  -1.025   4.096
  160    HB   THR  16           HB       THR  16   6.879   0.257   3.991
  161    HG1  THR  16           1HG      THR  16   7.006  -1.623   3.057
  162   1HG2  THR  16          1HG2      THR  16   7.494  -0.998   6.083
  163   2HG2  THR  16          2HG2      THR  16   5.770  -1.074   6.437
  164   3HG2  THR  16          3HG2      THR  16   6.574   0.489   6.310
  165    H    ILE  17           H        ILE  17   5.737   2.030   4.849
  166    HA   ILE  17           HA       ILE  17   4.023   2.379   7.203
  167    HB   ILE  17           HB       ILE  17   6.335   2.332   7.709
  168   1HG1  ILE  17          2HG1      ILE  17   6.829   4.838   8.236
  169   2HG1  ILE  17          1HG1      ILE  17   5.197   5.115   7.635
  170   1HG2  ILE  17          1HG2      ILE  17   7.250   2.541   5.536
  171   2HG2  ILE  17          2HG2      ILE  17   7.929   3.866   6.498
  172   3HG2  ILE  17          3HG2      ILE  17   6.615   4.186   5.349
  173   1HD1  ILE  17          1HD1      ILE  17   5.649   3.029   9.710
  174   2HD1  ILE  17          2HD1      ILE  17   4.219   4.021   9.383
  175   3HD1  ILE  17          3HD1      ILE  17   5.627   4.736  10.171
  176    H    HIS  18           H        HIS  18   5.301   4.093   4.405
  177    HA   HIS  18           HA       HIS  18   4.337   6.622   4.894
  178   1HB   HIS  18          2HB       HIS  18   5.861   6.432   3.137
  179   2HB   HIS  18          1HB       HIS  18   4.990   5.076   2.412
  180    HD1  HIS  18           1HD      HIS  18   2.514   5.839   1.510
  181    HD2  HIS  18           2HD      HIS  18   5.463   8.740   1.753
  182    HE1  HIS  18           1HE      HIS  18   1.760   7.687  -0.033
  183    HE2  HIS  18           2HE      HIS  18   3.627   9.381   0.043
  184    H    ASP  19           H        ASP  19   2.586   3.801   3.992
  185    HA   ASP  19           HA       ASP  19   0.382   5.124   2.782
  186   1HB   ASP  19          2HB       ASP  19   0.714   2.868   2.241
  187   2HB   ASP  19          1HB       ASP  19   0.746   2.363   3.921
  188    H    ARG  20           H        ARG  20   1.155   4.199   6.089
  189    HA   ARG  20           HA       ARG  20  -1.424   4.689   7.164
  190   1HB   ARG  20          2HB       ARG  20   1.098   5.123   8.740
  191   2HB   ARG  20          1HB       ARG  20  -0.442   4.469   9.282
  192   1HG   ARG  20          2HG       ARG  20  -0.028   2.416   8.052
  193   2HG   ARG  20          1HG       ARG  20   1.493   3.073   7.444
  194   1HD   ARG  20          2HD       ARG  20   1.286   1.515   9.638
  195   2HD   ARG  20          1HD       ARG  20   2.581   2.680   9.375
  196    HE   ARG  20           HE       ARG  20   1.245   4.246  10.744
  197   1HH1  ARG  20          1HH1      ARG  20   0.621   0.827  10.977
  198   2HH1  ARG  20          2HH1      ARG  20  -0.008   0.919  12.589
  199   1HH2  ARG  20          1HH2      ARG  20   0.422   4.378  12.870
  200   2HH2  ARG  20          2HH2      ARG  20  -0.119   2.938  13.665
  201    H    LYS  21           H        LYS  21   0.840   6.675   5.788
  202    HA   LYS  21           HA       LYS  21   0.493   9.051   7.338
  203   1HB   LYS  21          2HB       LYS  21   1.575   8.541   4.567
  204   2HB   LYS  21          1HB       LYS  21   1.607  10.122   5.357
  205   1HG   LYS  21          2HG       LYS  21   3.003   9.217   7.128
  206   2HG   LYS  21          1HG       LYS  21   2.922   7.624   6.373
  207   1HD   LYS  21          2HD       LYS  21   4.916   8.343   5.516
  208   2HD   LYS  21          1HD       LYS  21   3.821   8.971   4.281
  209   1HE   LYS  21          2HE       LYS  21   5.487  10.637   4.991
  210   2HE   LYS  21          1HE       LYS  21   3.835  11.152   5.331
  211   1HZ   LYS  21          1HZ       LYS  21   5.480   9.808   7.385
  212   2HZ   LYS  21          2HZ       LYS  21   4.107  10.775   7.597
  213   3HZ   LYS  21          3HZ       LYS  21   5.575  11.480   7.139
  214    H    GLU  22           H        GLU  22  -0.464   8.140   4.060
  215    HA   GLU  22           HA       GLU  22  -2.118  10.327   3.545
  216   1HB   GLU  22          2HB       GLU  22  -3.200   8.604   1.878
  217   2HB   GLU  22          1HB       GLU  22  -1.580   9.209   1.615
  218   1HG   GLU  22          2HG       GLU  22  -0.612   7.199   2.480
  219   2HG   GLU  22          1HG       GLU  22  -2.194   6.618   3.013
  220    H    PHE  23           H        PHE  23  -4.036   7.745   2.820
  221    HA   PHE  23           HA       PHE  23  -5.797   8.241   5.114
  222   1HB   PHE  23          2HB       PHE  23  -6.187   8.512   2.257
  223   2HB   PHE  23          1HB       PHE  23  -7.365   7.420   2.959
  224    HD1  PHE  23           1HD      PHE  23  -9.200   8.256   4.176
  225    HD2  PHE  23           2HD      PHE  23  -5.936  10.818   3.231
  226    HE1  PHE  23           1HE      PHE  23 -10.500  10.194   4.958
  227    HE2  PHE  23           2HE      PHE  23  -7.229  12.759   4.013
  228    HZ   PHE  23           HZ       PHE  23  -9.514  12.449   4.878
  229    H    ALA  24           H        ALA  24  -3.994   6.211   5.347
  230    HA   ALA  24           HA       ALA  24  -4.886   3.722   4.347
  231   1HB   ALA  24          1HB       ALA  24  -2.674   3.677   4.973
  232   2HB   ALA  24          2HB       ALA  24  -3.457   2.836   6.313
  233   3HB   ALA  24          3HB       ALA  24  -2.975   4.525   6.491
  234    H    LYS  25           H        LYS  25  -6.326   5.723   6.555
  235    HA   LYS  25           HA       LYS  25  -7.170   4.131   8.647
  236   1HB   LYS  25          2HB       LYS  25  -9.399   5.532   8.322
  237   2HB   LYS  25          1HB       LYS  25  -7.922   6.284   8.909
  238   1HG   LYS  25          2HG       LYS  25  -8.219   6.273   5.992
  239   2HG   LYS  25          1HG       LYS  25  -9.427   7.220   6.862
  240   1HD   LYS  25          2HD       LYS  25  -6.437   7.484   7.193
  241   2HD   LYS  25          1HD       LYS  25  -7.452   8.556   6.226
  242   1HE   LYS  25          2HE       LYS  25  -8.794   8.790   8.471
  243   2HE   LYS  25          1HE       LYS  25  -7.270   8.269   9.190
  244   1HZ   LYS  25          1HZ       LYS  25  -7.980  10.812   8.155
  245   2HZ   LYS  25          2HZ       LYS  25  -6.612  10.221   7.356
  246   3HZ   LYS  25          3HZ       LYS  25  -6.610  10.366   9.041
  247    H    PHE  26           H        PHE  26  -8.786   4.577   5.509
  248    HA   PHE  26           HA       PHE  26  -9.986   1.928   5.868
  249   1HB   PHE  26          2HB       PHE  26 -12.006   2.611   4.809
  250   2HB   PHE  26          1HB       PHE  26 -11.652   3.797   6.055
  251    HD1  PHE  26           1HD      PHE  26  -9.975   5.752   4.984
  252    HD2  PHE  26           2HD      PHE  26 -12.961   3.499   2.952
  253    HE1  PHE  26           1HE      PHE  26 -10.199   7.549   3.322
  254    HE2  PHE  26           2HE      PHE  26 -13.186   5.297   1.287
  255    HZ   PHE  26           HZ       PHE  26 -11.804   7.324   1.472
  256    H    GLU  27           H        GLU  27  -7.503   2.791   4.615
  257    HA   GLU  27           HA       GLU  27  -7.946   2.328   1.785
  258   1HB   GLU  27          2HB       GLU  27  -5.885   3.499   3.404
  259   2HB   GLU  27          1HB       GLU  27  -5.195   2.271   2.348
  260   1HG   GLU  27          2HG       GLU  27  -6.945   3.667   0.732
  261   2HG   GLU  27          1HG       GLU  27  -6.178   4.904   1.732
  262    H    GLU  28           H        GLU  28  -8.270   0.340   4.101
  263    HA   GLU  28           HA       GLU  28  -6.707  -1.817   2.854
  264   1HB   GLU  28          2HB       GLU  28  -7.347  -1.271   5.739
  265   2HB   GLU  28          1HB       GLU  28  -7.018  -2.915   5.195
  266   1HG   GLU  28          2HG       GLU  28  -5.113  -0.739   4.489
  267   2HG   GLU  28          1HG       GLU  28  -5.112  -1.387   6.132
  268    H    GLU  29           H        GLU  29  -9.650  -0.479   3.182
  269    HA   GLU  29           HA       GLU  29 -11.042  -3.054   2.877
  270   1HB   GLU  29          2HB       GLU  29 -12.297  -0.513   3.910
  271   2HB   GLU  29          1HB       GLU  29 -12.986  -2.130   3.916
  272   1HG   GLU  29          2HG       GLU  29 -10.453  -1.617   5.397
  273   2HG   GLU  29          1HG       GLU  29 -11.990  -1.103   6.094
  274    H    ARG  30           H        ARG  30 -11.616   0.410   2.195
  275    HA   ARG  30           HA       ARG  30 -12.489  -0.379  -0.507
  276   1HB   ARG  30          2HB       ARG  30 -14.476   0.449   0.134
  277   2HB   ARG  30          1HB       ARG  30 -13.786   1.253   1.536
  278   1HG   ARG  30          2HG       ARG  30 -12.884   2.933  -0.280
  279   2HG   ARG  30          1HG       ARG  30 -14.239   2.289  -1.215
  280   1HD   ARG  30          2HD       ARG  30 -14.482   3.391   1.576
  281   2HD   ARG  30          1HD       ARG  30 -14.759   4.342   0.117
  282    HE   ARG  30           HE       ARG  30 -16.376   2.126  -0.118
  283   1HH1  ARG  30          1HH1      ARG  30 -16.010   4.757   2.137
  284   2HH1  ARG  30          2HH1      ARG  30 -17.677   4.759   2.604
  285   1HH2  ARG  30          1HH2      ARG  30 -18.573   2.124   0.486
  286   2HH2  ARG  30          2HH2      ARG  30 -19.135   3.263   1.664
  287    H    ALA  31           H        ALA  31 -11.091   2.308   1.371
  288    HA   ALA  31           HA       ALA  31 -10.468   4.013  -0.713
  289   1HB   ALA  31          1HB       ALA  31  -9.186   5.208   0.747
  290   2HB   ALA  31          2HB       ALA  31  -8.549   3.769   1.538
  291   3HB   ALA  31          3HB       ALA  31 -10.202   4.293   1.862
  292    H    ARG  32           H        ARG  32  -9.377   0.936  -0.549
  293    HA   ARG  32           HA       ARG  32  -6.773   1.584  -1.745
  294   1HB   ARG  32          2HB       ARG  32  -7.258  -0.205   0.168
  295   2HB   ARG  32          1HB       ARG  32  -7.544  -1.228  -1.223
  296   1HG   ARG  32          2HG       ARG  32  -5.030   0.289  -0.571
  297   2HG   ARG  32          1HG       ARG  32  -5.261  -1.466  -0.540
  298   1HD   ARG  32          2HD       ARG  32  -5.895  -0.023  -3.054
  299   2HD   ARG  32          1HD       ARG  32  -4.183  -0.212  -2.628
  300    HE   ARG  32           HE       ARG  32  -5.908  -2.220  -3.645
  301   1HH1  ARG  32          1HH1      ARG  32  -3.292  -1.741  -1.388
  302   2HH1  ARG  32          2HH1      ARG  32  -2.726  -3.374  -1.505
  303   1HH2  ARG  32          1HH2      ARG  32  -5.168  -4.366  -3.800
  304   2HH2  ARG  32          2HH2      ARG  32  -3.792  -4.866  -2.873
  305    H    ALA  33           H        ALA  33  -9.645  -0.434  -2.231
  306    HA   ALA  33           HA       ALA  33  -8.933  -1.398  -4.749
  307   1HB   ALA  33          1HB       ALA  33 -10.698  -2.459  -3.717
  308   2HB   ALA  33          2HB       ALA  33 -11.452  -1.618  -5.072
  309   3HB   ALA  33          3HB       ALA  33 -11.588  -0.964  -3.436
  310    H    LYS  34           H        LYS  34  -9.550   1.705  -3.745
  311    HA   LYS  34           HA       LYS  34 -10.749   2.908  -6.002
  312   1HB   LYS  34          2HB       LYS  34  -8.621   4.240  -4.315
  313   2HB   LYS  34          1HB       LYS  34 -10.059   4.962  -5.042
  314   1HG   LYS  34          2HG       LYS  34  -9.956   3.083  -2.698
  315   2HG   LYS  34          1HG       LYS  34 -10.308   4.817  -2.652
  316   1HD   LYS  34          2HD       LYS  34 -11.975   3.026  -4.351
  317   2HD   LYS  34          1HD       LYS  34 -12.254   3.059  -2.611
  318   1HE   LYS  34          2HE       LYS  34 -12.732   5.396  -2.659
  319   2HE   LYS  34          1HE       LYS  34 -12.202   5.526  -4.336
  320   1HZ   LYS  34          1HZ       LYS  34 -14.761   4.899  -3.344
  321   2HZ   LYS  34          2HZ       LYS  34 -14.195   3.591  -4.254
  322   3HZ   LYS  34          3HZ       LYS  34 -14.277   5.130  -4.950
  323    H    TRP  35           H        TRP  35  -7.542   2.055  -5.050
  324    HA   TRP  35           HA       TRP  35  -6.201   3.078  -7.378
  325   1HB   TRP  35          2HB       TRP  35  -5.042   1.044  -5.498
  326   2HB   TRP  35          1HB       TRP  35  -4.234   2.386  -6.317
  327    HD1  TRP  35           HD       TRP  35  -4.356   1.594  -3.101
  328    HE1  TRP  35           1HE      TRP  35  -4.931   3.471  -1.469
  329    HE3  TRP  35           3HE      TRP  35  -6.600   4.859  -6.333
  330    HZ2  TRP  35           2HZ      TRP  35  -6.171   5.962  -1.503
  331    HZ3  TRP  35           3HZ      TRP  35  -7.475   6.976  -5.434
  332    HH2  TRP  35           HH       TRP  35  -7.258   7.525  -3.064
  333    H    ASP  36           H        ASP  36  -7.415   0.031  -6.173
  334    HA   ASP  36           HA       ASP  36  -6.272  -1.827  -7.821
  335   1HB   ASP  36          2HB       ASP  36  -8.487  -1.697  -6.074
  336   2HB   ASP  36          1HB       ASP  36  -9.058  -2.443  -7.567
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1  14.048  -5.601   9.596
    2   2H    MET   1          2HT       MET   1  12.774  -6.478  10.281
    3   3H    MET   1          3HT       MET   1  13.857  -5.643  11.277
    4    HA   MET   1           HA       MET   1  13.092  -3.543  10.498
    5   1HB   MET   1          2HB       MET   1  10.856  -4.083   8.958
    6   2HB   MET   1          1HB       MET   1  12.396  -3.459   8.393
    7   1HG   MET   1          2HG       MET   1  11.803  -5.284   7.017
    8   2HG   MET   1          1HG       MET   1  13.143  -5.802   8.039
    9   1HE   MET   1          1HE       MET   1   9.654  -5.065   8.819
   10   2HE   MET   1          2HE       MET   1   9.430  -6.234  10.124
   11   3HE   MET   1          3HE       MET   1   8.769  -6.564   8.521
   12    H    TRP   2           H        TRP   2  10.148  -3.404  10.159
   13    HA   TRP   2           HA       TRP   2   9.372  -4.351  12.842
   14   1HB   TRP   2          2HB       TRP   2   7.830  -2.076  11.887
   15   2HB   TRP   2          1HB       TRP   2   8.742  -2.257  13.398
   16    HD1  TRP   2           HD       TRP   2  11.070  -0.972  13.498
   17    HE1  TRP   2           1HE      TRP   2  12.341   0.503  11.800
   18    HE3  TRP   2           3HE      TRP   2   8.208  -1.866   9.427
   19    HZ2  TRP   2           2HZ      TRP   2  12.115   1.173   9.038
   20    HZ3  TRP   2           3HZ      TRP   2   8.762  -0.812   7.302
   21    HH2  TRP   2           HH       TRP   2  10.686   0.681   7.101
   22    H    LYS   3           H        LYS   3   7.559  -2.888  10.152
   23    HA   LYS   3           HA       LYS   3   5.754  -5.202  10.219
   24   1HB   LYS   3          2HB       LYS   3   3.928  -3.673   9.652
   25   2HB   LYS   3          1HB       LYS   3   4.687  -3.244  11.176
   26   1HG   LYS   3          2HG       LYS   3   5.415  -1.917   8.579
   27   2HG   LYS   3          1HG       LYS   3   4.087  -1.352   9.597
   28   1HD   LYS   3          2HD       LYS   3   5.665  -1.060  11.455
   29   2HD   LYS   3          1HD       LYS   3   6.968  -1.615  10.400
   30   1HE   LYS   3          2HE       LYS   3   6.973   0.296   9.151
   31   2HE   LYS   3          1HE       LYS   3   5.283   0.664   9.499
   32   1HZ   LYS   3          1HZ       LYS   3   6.988   2.142  10.582
   33   2HZ   LYS   3          2HZ       LYS   3   7.406   0.826  11.559
   34   3HZ   LYS   3          3HZ       LYS   3   5.841   1.465  11.626
   35    H    VAL   4           H        VAL   4   7.521  -3.020   8.230
   36    HA   VAL   4           HA       VAL   4   6.490  -3.088   5.766
   37    HB   VAL   4           HB       VAL   4   8.512  -1.995   5.950
   38   1HG1  VAL   4          1HG1      VAL   4   9.341  -3.140   7.898
   39   2HG1  VAL   4          2HG1      VAL   4  10.593  -3.096   6.658
   40   3HG1  VAL   4          3HG1      VAL   4   9.679  -4.580   6.939
   41   1HG2  VAL   4          1HG2      VAL   4  10.083  -3.092   4.374
   42   2HG2  VAL   4          2HG2      VAL   4   8.420  -3.030   3.785
   43   3HG2  VAL   4          3HG2      VAL   4   9.072  -4.536   4.439
   44    H    GLY   5           H        GLY   5   8.218  -5.795   7.255
   45   1HA   GLY   5          2HA       GLY   5   8.652  -7.593   5.363
   46   2HA   GLY   5          1HA       GLY   5   7.838  -8.073   6.847
   47    H    PHE   6           H        PHE   6   5.433  -6.825   6.574
   48    HA   PHE   6           HA       PHE   6   4.344  -8.008   4.161
   49   1HB   PHE   6          2HB       PHE   6   2.584  -7.675   6.413
   50   2HB   PHE   6          1HB       PHE   6   2.666  -9.004   5.280
   51    HD1  PHE   6           1HD      PHE   6   4.398 -10.769   5.613
   52    HD2  PHE   6           2HD      PHE   6   3.611  -7.774   8.529
   53    HE1  PHE   6           1HE      PHE   6   5.525 -12.140   7.317
   54    HE2  PHE   6           2HE      PHE   6   4.736  -9.139  10.241
   55    HZ   PHE   6           HZ       PHE   6   5.694 -11.325   9.634
   56    H    PHE   7           H        PHE   7   4.886  -5.211   5.886
   57    HA   PHE   7           HA       PHE   7   2.453  -3.871   5.203
   58   1HB   PHE   7          2HB       PHE   7   4.866  -3.289   6.709
   59   2HB   PHE   7          1HB       PHE   7   4.321  -1.911   5.750
   60    HD1  PHE   7           1HD      PHE   7   3.179  -0.420   7.014
   61    HD2  PHE   7           2HD      PHE   7   2.578  -4.567   7.696
   62    HE1  PHE   7           1HE      PHE   7   1.476   0.117   8.708
   63    HE2  PHE   7           2HE      PHE   7   0.869  -4.049   9.392
   64    HZ   PHE   7           HZ       PHE   7   0.315  -1.701   9.898
   65    H    LYS   8           H        LYS   8   5.708  -3.925   3.916
   66    HA   LYS   8           HA       LYS   8   5.565  -1.881   2.067
   67   1HB   LYS   8          2HB       LYS   8   7.378  -3.002   0.932
   68   2HB   LYS   8          1HB       LYS   8   7.571  -3.255   2.665
   69   1HG   LYS   8          2HG       LYS   8   6.084  -5.398   2.017
   70   2HG   LYS   8          1HG       LYS   8   7.021  -5.187   0.533
   71   1HD   LYS   8          2HD       LYS   8   9.060  -5.034   2.084
   72   2HD   LYS   8          1HD       LYS   8   7.987  -5.693   3.328
   73   1HE   LYS   8          2HE       LYS   8   8.447  -7.721   2.550
   74   2HE   LYS   8          1HE       LYS   8   7.578  -7.284   1.076
   75   1HZ   LYS   8          1HZ       LYS   8   9.830  -8.103   0.634
   76   2HZ   LYS   8          2HZ       LYS   8  10.478  -6.829   1.538
   77   3HZ   LYS   8          3HZ       LYS   8   9.630  -6.506   0.111
   78    H    ARG   9           H        ARG   9   4.081  -4.991   2.114
   79    HA   ARG   9           HA       ARG   9   3.202  -4.748  -0.675
   80   1HB   ARG   9          2HB       ARG   9   2.701  -7.195   0.957
   81   2HB   ARG   9          1HB       ARG   9   2.990  -7.049  -0.770
   82   1HG   ARG   9          2HG       ARG   9   5.080  -7.676  -0.423
   83   2HG   ARG   9          1HG       ARG   9   5.344  -6.195   0.500
   84   1HD   ARG   9          2HD       ARG   9   5.926  -7.795   2.050
   85   2HD   ARG   9          1HD       ARG   9   4.223  -7.542   2.433
   86    HE   ARG   9           HE       ARG   9   5.261  -9.815   0.870
   87   1HH1  ARG   9          1HH1      ARG   9   2.916  -8.385   3.014
   88   2HH1  ARG   9          2HH1      ARG   9   2.025  -9.854   3.230
   89   1HH2  ARG   9          1HH2      ARG   9   4.094 -11.758   1.150
   90   2HH2  ARG   9          2HH2      ARG   9   2.696 -11.771   2.172
   91    H    ASN  10           H        ASN  10   1.884  -6.064   2.353
   92    HA   ASN  10           HA       ASN  10  -0.797  -5.791   1.673
   93   1HB   ASN  10          2HB       ASN  10   0.669  -6.731   3.843
   94   2HB   ASN  10          1HB       ASN  10  -0.512  -5.603   4.490
   95   1HD2  ASN  10          1HD2      ASN  10  -0.055  -8.524   2.631
   96   2HD2  ASN  10          2HD2      ASN  10  -1.653  -9.145   2.844
   97    H    ARG  11           H        ARG  11   0.288  -4.110   4.538
   98    HA   ARG  11           HA       ARG  11  -1.492  -1.953   4.152
   99   1HB   ARG  11          2HB       ARG  11   0.654  -2.618   6.097
  100   2HB   ARG  11          1HB       ARG  11   0.089  -0.955   6.024
  101   1HG   ARG  11          2HG       ARG  11  -1.115  -2.120   7.735
  102   2HG   ARG  11          1HG       ARG  11  -2.215  -1.757   6.403
  103   1HD   ARG  11          2HD       ARG  11  -2.599  -4.010   7.184
  104   2HD   ARG  11          1HD       ARG  11  -1.912  -4.053   5.562
  105    HE   ARG  11           HE       ARG  11   0.259  -4.540   6.701
  106   1HH1  ARG  11          1HH1      ARG  11  -2.778  -5.290   8.232
  107   2HH1  ARG  11          2HH1      ARG  11  -2.124  -6.570   9.196
  108   1HH2  ARG  11          1HH2      ARG  11   1.129  -6.231   7.959
  109   2HH2  ARG  11          2HH2      ARG  11   0.098  -7.107   9.040
  110   1H    LYS  12          1HT       LYS  12  10.558   1.341   0.763
  111   2H    LYS  12          2HT       LYS  12  11.321  -0.017   1.424
  112   3H    LYS  12          3HT       LYS  12  11.378   1.464   2.239
  113    HA   LYS  12           HA       LYS  12   8.843   0.047   1.672
  114   1HB   LYS  12          2HB       LYS  12   9.012  -1.148   3.649
  115   2HB   LYS  12          1HB       LYS  12  10.693  -1.136   3.133
  116   1HG   LYS  12          2HG       LYS  12   9.518   0.836   5.080
  117   2HG   LYS  12          1HG       LYS  12  10.326  -0.662   5.548
  118   1HD   LYS  12          2HD       LYS  12  11.598   1.506   3.882
  119   2HD   LYS  12          1HD       LYS  12  11.804   1.340   5.627
  120   1HE   LYS  12          2HE       LYS  12  12.548  -0.721   3.557
  121   2HE   LYS  12          1HE       LYS  12  13.674   0.354   4.384
  122   1HZ   LYS  12          1HZ       LYS  12  13.615  -0.877   6.244
  123   2HZ   LYS  12          2HZ       LYS  12  13.082  -2.110   5.214
  124   3HZ   LYS  12          3HZ       LYS  12  11.963  -1.219   6.114
  125    H    LEU  13           H        LEU  13  10.625   2.729   2.902
  126    HA   LEU  13           HA       LEU  13   8.481   3.743   4.517
  127   1HB   LEU  13          2HB       LEU  13  11.161   4.201   4.479
  128   2HB   LEU  13          1HB       LEU  13  10.563   5.636   3.665
  129    HG   LEU  13           HG       LEU  13   8.912   5.334   5.903
  130   1HD1  LEU  13          1HD1      LEU  13  10.131   4.037   7.281
  131   2HD1  LEU  13          2HD1      LEU  13  11.014   5.538   7.567
  132   3HD1  LEU  13          3HD1      LEU  13  11.639   4.352   6.421
  133   1HD2  LEU  13          1HD2      LEU  13   9.307   7.507   5.791
  134   2HD2  LEU  13          2HD2      LEU  13  10.695   7.237   4.736
  135   3HD2  LEU  13          3HD2      LEU  13  10.903   7.231   6.487
  136    H    LEU  14           H        LEU  14   7.845   3.152   1.803
  137    HA   LEU  14           HA       LEU  14   6.855   5.785   0.970
  138   1HB   LEU  14          2HB       LEU  14   8.184   5.610  -0.837
  139   2HB   LEU  14          1HB       LEU  14   8.520   3.917  -0.535
  140    HG   LEU  14           HG       LEU  14   6.167   3.497  -1.535
  141   1HD1  LEU  14          1HD1      LEU  14   5.284   5.688  -1.625
  142   2HD1  LEU  14          2HD1      LEU  14   5.636   5.231  -3.293
  143   3HD1  LEU  14          3HD1      LEU  14   6.726   6.313  -2.428
  144   1HD2  LEU  14          1HD2      LEU  14   7.514   4.220  -3.875
  145   2HD2  LEU  14          2HD2      LEU  14   7.519   2.647  -3.077
  146   3HD2  LEU  14          3HD2      LEU  14   8.774   3.830  -2.705
  147    H    ILE  15           H        ILE  15   6.436   2.392   1.394
  148    HA   ILE  15           HA       ILE  15   3.577   2.658   0.741
  149    HB   ILE  15           HB       ILE  15   4.244   1.174  -0.880
  150   1HG1  ILE  15          2HG1      ILE  15   3.533  -1.069  -0.244
  151   2HG1  ILE  15          1HG1      ILE  15   3.750  -0.676   1.459
  152   1HG2  ILE  15          1HG2      ILE  15   5.866  -0.810   0.181
  153   2HG2  ILE  15          2HG2      ILE  15   6.459   0.683   0.910
  154   3HG2  ILE  15          3HG2      ILE  15   6.374   0.532  -0.845
  155   1HD1  ILE  15          1HD1      ILE  15   1.477  -0.486   1.165
  156   2HD1  ILE  15          2HD1      ILE  15   1.638   0.236  -0.437
  157   3HD1  ILE  15          3HD1      ILE  15   2.027   1.184   1.001
  158    H    THR  16           H        THR  16   5.755   0.470   2.503
  159    HA   THR  16           HA       THR  16   4.133  -0.733   4.270
  160    HB   THR  16           HB       THR  16   6.904   0.377   4.585
  161    HG1  THR  16           1HG      THR  16   7.432  -1.542   3.984
  162   1HG2  THR  16          1HG2      THR  16   6.631  -1.482   6.620
  163   2HG2  THR  16          2HG2      THR  16   5.238  -0.416   6.795
  164   3HG2  THR  16          3HG2      THR  16   6.869   0.256   6.790
  165    H    ILE  17           H        ILE  17   5.995   1.921   5.475
  166    HA   ILE  17           HA       ILE  17   4.111   2.577   7.533
  167    HB   ILE  17           HB       ILE  17   6.425   2.562   8.058
  168   1HG1  ILE  17          2HG1      ILE  17   6.844   5.085   8.550
  169   2HG1  ILE  17          1HG1      ILE  17   5.223   5.317   7.898
  170   1HG2  ILE  17          1HG2      ILE  17   7.341   2.757   5.857
  171   2HG2  ILE  17          2HG2      ILE  17   8.020   4.063   6.845
  172   3HG2  ILE  17          3HG2      ILE  17   6.720   4.409   5.691
  173   1HD1  ILE  17          1HD1      ILE  17   5.600   3.255   9.999
  174   2HD1  ILE  17          2HD1      ILE  17   4.219   4.309   9.662
  175   3HD1  ILE  17          3HD1      ILE  17   5.648   4.958  10.468
  176    H    HIS  18           H        HIS  18   5.439   4.203   4.685
  177    HA   HIS  18           HA       HIS  18   4.369   6.716   5.091
  178   1HB   HIS  18          2HB       HIS  18   5.999   6.625   3.444
  179   2HB   HIS  18          1HB       HIS  18   5.303   5.186   2.697
  180    HD1  HIS  18           1HD      HIS  18   2.958   5.651   1.451
  181    HD2  HIS  18           2HD      HIS  18   5.415   8.927   2.096
  182    HE1  HIS  18           1HE      HIS  18   2.142   7.422  -0.148
  183    HE2  HIS  18           2HE      HIS  18   3.571   9.439   0.352
  184    H    ASP  19           H        ASP  19   2.739   3.830   4.231
  185    HA   ASP  19           HA       ASP  19   0.605   5.038   2.787
  186   1HB   ASP  19          2HB       ASP  19   0.954   2.768   2.392
  187   2HB   ASP  19          1HB       ASP  19   0.944   2.356   4.096
  188    H    ARG  20           H        ARG  20   1.200   4.400   6.190
  189    HA   ARG  20           HA       ARG  20  -1.461   4.869   7.068
  190   1HB   ARG  20          2HB       ARG  20   0.874   5.572   8.805
  191   2HB   ARG  20          1HB       ARG  20  -0.629   4.767   9.232
  192   1HG   ARG  20          2HG       ARG  20   0.108   2.708   8.340
  193   2HG   ARG  20          1HG       ARG  20   1.481   3.468   7.535
  194   1HD   ARG  20          2HD       ARG  20   2.087   2.219   9.598
  195   2HD   ARG  20          1HD       ARG  20   2.543   3.922   9.636
  196    HE   ARG  20           HE       ARG  20   0.907   4.306  11.258
  197   1HH1  ARG  20          1HH1      ARG  20   0.903   0.988  10.190
  198   2HH1  ARG  20          2HH1      ARG  20  -0.048   0.426  11.525
  199   1HH2  ARG  20          1HH2      ARG  20  -0.346   3.575  13.013
  200   2HH2  ARG  20          2HH2      ARG  20  -0.759   1.897  13.129
  201    H    LYS  21           H        LYS  21   0.655   6.795   5.526
  202    HA   LYS  21           HA       LYS  21   0.077   9.303   6.862
  203   1HB   LYS  21          2HB       LYS  21   1.614   8.602   4.355
  204   2HB   LYS  21          1HB       LYS  21   1.481  10.237   5.013
  205   1HG   LYS  21          2HG       LYS  21   2.675   9.594   6.987
  206   2HG   LYS  21          1HG       LYS  21   2.644   7.899   6.491
  207   1HD   LYS  21          2HD       LYS  21   4.786   8.579   5.883
  208   2HD   LYS  21          1HD       LYS  21   3.873   8.731   4.379
  209   1HE   LYS  21          2HE       LYS  21   4.957  10.744   4.401
  210   2HE   LYS  21          1HE       LYS  21   3.472  11.176   5.247
  211   1HZ   LYS  21          1HZ       LYS  21   4.730  11.851   6.921
  212   2HZ   LYS  21          2HZ       LYS  21   6.138  11.279   6.179
  213   3HZ   LYS  21          3HZ       LYS  21   5.231  10.254   7.174
  214    H    GLU  22           H        GLU  22  -0.324   7.921   3.636
  215    HA   GLU  22           HA       GLU  22  -1.898   9.933   2.533
  216   1HB   GLU  22          2HB       GLU  22  -2.703   7.943   1.024
  217   2HB   GLU  22          1HB       GLU  22  -1.057   8.526   0.927
  218   1HG   GLU  22          2HG       GLU  22  -0.250   6.700   2.234
  219   2HG   GLU  22          1HG       GLU  22  -1.895   6.192   2.625
  220    H    PHE  23           H        PHE  23  -3.625   7.112   2.074
  221    HA   PHE  23           HA       PHE  23  -5.789   8.041   3.832
  222   1HB   PHE  23          2HB       PHE  23  -5.646   7.595   0.983
  223   2HB   PHE  23          1HB       PHE  23  -6.869   6.568   1.700
  224    HD1  PHE  23           1HD      PHE  23  -6.084   9.814   3.189
  225    HD2  PHE  23           2HD      PHE  23  -8.638   7.717   0.504
  226    HE1  PHE  23           1HE      PHE  23  -7.643  11.717   3.190
  227    HE2  PHE  23           2HE      PHE  23 -10.202   9.616   0.504
  228    HZ   PHE  23           HZ       PHE  23  -9.705  11.619   1.847
  229    H    ALA  24           H        ALA  24  -3.898   6.156   4.744
  230    HA   ALA  24           HA       ALA  24  -4.826   3.489   4.327
  231   1HB   ALA  24          1HB       ALA  24  -2.568   3.670   4.950
  232   2HB   ALA  24          2HB       ALA  24  -3.389   2.990   6.358
  233   3HB   ALA  24          3HB       ALA  24  -2.949   4.699   6.333
  234    H    LYS  25           H        LYS  25  -6.371   5.933   5.752
  235    HA   LYS  25           HA       LYS  25  -7.202   4.918   8.242
  236   1HB   LYS  25          2HB       LYS  25  -9.366   6.373   7.128
  237   2HB   LYS  25          1HB       LYS  25  -8.199   6.915   8.323
  238   1HG   LYS  25          2HG       LYS  25  -7.605   7.043   5.387
  239   2HG   LYS  25          1HG       LYS  25  -8.506   8.318   6.211
  240   1HD   LYS  25          2HD       LYS  25  -5.928   7.412   7.395
  241   2HD   LYS  25          1HD       LYS  25  -5.877   8.426   5.953
  242   1HE   LYS  25          2HE       LYS  25  -7.279   9.090   8.542
  243   2HE   LYS  25          1HE       LYS  25  -5.746   9.766   7.992
  244   1HZ   LYS  25          1HZ       LYS  25  -8.453  10.394   7.156
  245   2HZ   LYS  25          2HZ       LYS  25  -7.311  10.315   5.910
  246   3HZ   LYS  25          3HZ       LYS  25  -7.077  11.378   7.206
  247    H    PHE  26           H        PHE  26  -8.604   4.649   5.002
  248    HA   PHE  26           HA       PHE  26 -10.176   2.361   5.958
  249   1HB   PHE  26          2HB       PHE  26 -11.391   3.330   3.606
  250   2HB   PHE  26          1HB       PHE  26 -12.039   3.367   5.241
  251    HD1  PHE  26           1HD      PHE  26 -12.611   5.400   6.143
  252    HD2  PHE  26           2HD      PHE  26  -9.692   5.261   3.054
  253    HE1  PHE  26           1HE      PHE  26 -12.524   7.857   6.119
  254    HE2  PHE  26           2HE      PHE  26  -9.595   7.711   3.024
  255    HZ   PHE  26           HZ       PHE  26 -11.013   9.021   4.557
  256    H    GLU  27           H        GLU  27  -7.519   3.010   4.412
  257    HA   GLU  27           HA       GLU  27  -7.828   1.646   1.938
  258   1HB   GLU  27          2HB       GLU  27  -5.717   2.966   3.407
  259   2HB   GLU  27          1HB       GLU  27  -5.142   1.488   2.639
  260   1HG   GLU  27          2HG       GLU  27  -6.770   2.822   0.766
  261   2HG   GLU  27          1HG       GLU  27  -5.676   4.025   1.479
  262    H    GLU  28           H        GLU  28  -8.272   0.458   4.839
  263    HA   GLU  28           HA       GLU  28  -7.075  -2.152   4.201
  264   1HB   GLU  28          2HB       GLU  28  -7.539  -0.786   6.849
  265   2HB   GLU  28          1HB       GLU  28  -7.306  -2.527   6.735
  266   1HG   GLU  28          2HG       GLU  28  -5.309  -0.838   5.369
  267   2HG   GLU  28          1HG       GLU  28  -5.316  -0.786   7.134
  268    H    GLU  29           H        GLU  29  -9.802  -0.364   4.277
  269    HA   GLU  29           HA       GLU  29 -11.536  -2.699   4.719
  270   1HB   GLU  29          2HB       GLU  29 -12.123   0.222   5.241
  271   2HB   GLU  29          1HB       GLU  29 -13.314  -1.069   5.347
  272   1HG   GLU  29          2HG       GLU  29 -11.270  -1.967   6.954
  273   2HG   GLU  29          1HG       GLU  29 -11.295  -0.231   7.256
  274    H    ARG  30           H        ARG  30 -11.848   0.531   3.219
  275    HA   ARG  30           HA       ARG  30 -12.878  -0.800   0.800
  276   1HB   ARG  30          2HB       ARG  30 -14.750   0.382   0.949
  277   2HB   ARG  30          1HB       ARG  30 -14.199   0.994   2.501
  278   1HG   ARG  30          2HG       ARG  30 -12.865   2.644   0.837
  279   2HG   ARG  30          1HG       ARG  30 -14.311   2.306  -0.122
  280   1HD   ARG  30          2HD       ARG  30 -14.092   3.573   2.585
  281   2HD   ARG  30          1HD       ARG  30 -14.884   4.193   1.137
  282    HE   ARG  30           HE       ARG  30 -16.707   2.751   1.551
  283   1HH1  ARG  30          1HH1      ARG  30 -14.262   2.595   4.029
  284   2HH1  ARG  30          2HH1      ARG  30 -15.306   1.842   5.189
  285   1HH2  ARG  30          1HH2      ARG  30 -18.085   1.761   3.071
  286   2HH2  ARG  30          2HH2      ARG  30 -17.477   1.366   4.644
  287    H    ALA  31           H        ALA  31 -11.077   1.994   2.023
  288    HA   ALA  31           HA       ALA  31 -10.524   3.222  -0.415
  289   1HB   ALA  31          1HB       ALA  31  -9.415   4.680   0.815
  290   2HB   ALA  31          2HB       ALA  31  -8.312   3.445   1.421
  291   3HB   ALA  31          3HB       ALA  31  -9.868   3.703   2.214
  292    H    ARG  32           H        ARG  32  -9.799   0.152   0.097
  293    HA   ARG  32           HA       ARG  32  -7.188   0.305  -1.254
  294   1HB   ARG  32          2HB       ARG  32  -7.684  -1.071   0.962
  295   2HB   ARG  32          1HB       ARG  32  -8.221  -2.271  -0.193
  296   1HG   ARG  32          2HG       ARG  32  -5.488  -1.029   0.017
  297   2HG   ARG  32          1HG       ARG  32  -5.937  -2.709   0.345
  298   1HD   ARG  32          2HD       ARG  32  -6.625  -1.643  -2.323
  299   2HD   ARG  32          1HD       ARG  32  -4.903  -1.883  -1.993
  300    HE   ARG  32           HE       ARG  32  -6.962  -3.979  -2.035
  301   1HH1  ARG  32          1HH1      ARG  32  -3.611  -3.029  -1.893
  302   2HH1  ARG  32          2HH1      ARG  32  -3.013  -4.624  -2.206
  303   1HH2  ARG  32          1HH2      ARG  32  -6.181  -6.083  -2.452
  304   2HH2  ARG  32          2HH2      ARG  32  -4.472  -6.358  -2.527
  305    H    ALA  33           H        ALA  33 -10.290  -1.394  -1.218
  306    HA   ALA  33           HA       ALA  33  -9.907  -2.847  -3.576
  307   1HB   ALA  33          1HB       ALA  33 -11.701  -3.448  -2.219
  308   2HB   ALA  33          2HB       ALA  33 -12.434  -2.825  -3.697
  309   3HB   ALA  33          3HB       ALA  33 -12.394  -1.827  -2.239
  310    H    LYS  34           H        LYS  34 -10.110   0.434  -3.044
  311    HA   LYS  34           HA       LYS  34 -11.328   1.422  -5.384
  312   1HB   LYS  34          2HB       LYS  34  -8.935   2.726  -4.087
  313   2HB   LYS  34          1HB       LYS  34 -10.357   3.493  -4.798
  314   1HG   LYS  34          2HG       LYS  34 -10.291   1.921  -2.233
  315   2HG   LYS  34          1HG       LYS  34 -10.298   3.685  -2.364
  316   1HD   LYS  34          2HD       LYS  34 -12.447   2.163  -3.734
  317   2HD   LYS  34          1HD       LYS  34 -12.527   2.313  -1.980
  318   1HE   LYS  34          2HE       LYS  34 -12.289   4.608  -3.924
  319   2HE   LYS  34          1HE       LYS  34 -13.778   4.094  -3.131
  320   1HZ   LYS  34          1HZ       LYS  34 -11.766   5.806  -2.157
  321   2HZ   LYS  34          2HZ       LYS  34 -11.872   4.456  -1.141
  322   3HZ   LYS  34          3HZ       LYS  34 -13.244   5.399  -1.442
  323    H    TRP  35           H        TRP  35  -8.173   0.321  -4.525
  324    HA   TRP  35           HA       TRP  35  -6.931   0.828  -7.070
  325   1HB   TRP  35          2HB       TRP  35  -5.821  -1.016  -4.982
  326   2HB   TRP  35          1HB       TRP  35  -4.962   0.117  -6.036
  327    HD1  TRP  35           HD       TRP  35  -5.006  -0.236  -2.713
  328    HE1  TRP  35           1HE      TRP  35  -5.281   1.901  -1.344
  329    HE3  TRP  35           3HE      TRP  35  -6.977   2.811  -6.309
  330    HZ2  TRP  35           2HZ      TRP  35  -6.203   4.503  -1.697
  331    HZ3  TRP  35           3HZ      TRP  35  -7.543   5.127  -5.699
  332    HH2  TRP  35           HH       TRP  35  -7.157   5.964  -3.435
  333    H    ASP  36           H        ASP  36  -8.466  -1.793  -5.381
  334    HA   ASP  36           HA       ASP  36  -7.632  -4.033  -6.713
  335   1HB   ASP  36          2HB       ASP  36  -9.655  -3.402  -4.927
  336   2HB   ASP  36          1HB       ASP  36 -10.511  -4.065  -6.318
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1  13.822  -5.705   9.682
    2   2H    MET   1          2HT       MET   1  14.955  -4.718  10.459
    3   3H    MET   1          3HT       MET   1  14.920  -4.795   8.770
    4    HA   MET   1           HA       MET   1  13.924  -2.749   9.667
    5   1HB   MET   1          2HB       MET   1  11.572  -3.549   8.455
    6   2HB   MET   1          1HB       MET   1  12.981  -2.869   7.660
    7   1HG   MET   1          2HG       MET   1  12.366  -4.825   6.491
    8   2HG   MET   1          1HG       MET   1  13.853  -5.179   7.370
    9   1HE   MET   1          1HE       MET   1  10.439  -4.615   8.536
   10   2HE   MET   1          2HE       MET   1  10.415  -5.738   9.899
   11   3HE   MET   1          3HE       MET   1   9.632  -6.179   8.381
   12    H    TRP   2           H        TRP   2  10.971  -2.825   9.699
   13    HA   TRP   2           HA       TRP   2  10.592  -3.676  12.496
   14   1HB   TRP   2          2HB       TRP   2   8.786  -1.563  11.642
   15   2HB   TRP   2          1HB       TRP   2   9.877  -1.606  13.040
   16    HD1  TRP   2           HD       TRP   2  12.023  -0.062  12.835
   17    HE1  TRP   2           1HE      TRP   2  12.971   1.409  10.933
   18    HE3  TRP   2           3HE      TRP   2   8.937  -1.553   9.122
   19    HZ2  TRP   2           2HZ      TRP   2  12.424   1.845   8.167
   20    HZ3  TRP   2           3HZ      TRP   2   9.177  -0.600   6.889
   21    HH2  TRP   2           HH       TRP   2  10.898   1.065   6.411
   22    H    LYS   3           H        LYS   3   8.394  -2.504   9.949
   23    HA   LYS   3           HA       LYS   3   6.783  -4.914  10.363
   24   1HB   LYS   3          2HB       LYS   3   4.788  -3.558   9.902
   25   2HB   LYS   3          1HB       LYS   3   5.653  -3.021  11.332
   26   1HG   LYS   3          2HG       LYS   3   5.963  -1.739   8.627
   27   2HG   LYS   3          1HG       LYS   3   4.789  -1.207   9.836
   28   1HD   LYS   3          2HD       LYS   3   6.584  -0.770  11.411
   29   2HD   LYS   3          1HD       LYS   3   7.754  -1.389  10.239
   30   1HE   LYS   3          2HE       LYS   3   7.671   0.478   8.957
   31   2HE   LYS   3          1HE       LYS   3   5.983   0.804   9.339
   32   1HZ   LYS   3          1HZ       LYS   3   6.538   2.055  11.104
   33   2HZ   LYS   3          2HZ       LYS   3   8.024   2.211  10.313
   34   3HZ   LYS   3          3HZ       LYS   3   7.841   1.071  11.549
   35    H    VAL   4           H        VAL   4   8.085  -2.712   8.058
   36    HA   VAL   4           HA       VAL   4   6.803  -3.006   5.736
   37    HB   VAL   4           HB       VAL   4   8.760  -1.764   5.695
   38   1HG1  VAL   4          1HG1      VAL   4  10.613  -4.019   6.099
   39   2HG1  VAL   4          2HG1      VAL   4   9.696  -3.483   7.507
   40   3HG1  VAL   4          3HG1      VAL   4  10.729  -2.343   6.639
   41   1HG2  VAL   4          1HG2      VAL   4  10.188  -2.782   3.940
   42   2HG2  VAL   4          2HG2      VAL   4   8.464  -2.837   3.563
   43   3HG2  VAL   4          3HG2      VAL   4   9.290  -4.285   4.139
   44    H    GLY   5           H        GLY   5   8.981  -5.465   7.071
   45   1HA   GLY   5          2HA       GLY   5   9.308  -7.284   5.185
   46   2HA   GLY   5          1HA       GLY   5   8.804  -7.786   6.793
   47    H    PHE   6           H        PHE   6   6.264  -6.826   6.885
   48    HA   PHE   6           HA       PHE   6   4.951  -8.228   4.714
   49   1HB   PHE   6          2HB       PHE   6   3.562  -8.005   7.229
   50   2HB   PHE   6          1HB       PHE   6   3.616  -9.364   6.131
   51    HD1  PHE   6           1HD      PHE   6   4.762  -8.031   9.225
   52    HD2  PHE   6           2HD      PHE   6   5.774 -10.751   6.112
   53    HE1  PHE   6           1HE      PHE   6   6.334  -9.169  10.736
   54    HE2  PHE   6           2HE      PHE   6   7.349 -11.894   7.618
   55    HZ   PHE   6           HZ       PHE   6   7.631 -11.104   9.933
   56    H    PHE   7           H        PHE   7   5.459  -5.295   6.158
   57    HA   PHE   7           HA       PHE   7   2.783  -4.289   5.845
   58   1HB   PHE   7          2HB       PHE   7   5.262  -3.384   7.049
   59   2HB   PHE   7          1HB       PHE   7   4.422  -2.096   6.177
   60    HD1  PHE   7           1HD      PHE   7   3.158  -0.789   7.535
   61    HD2  PHE   7           2HD      PHE   7   3.382  -4.955   8.321
   62    HE1  PHE   7           1HE      PHE   7   1.577  -0.512   9.399
   63    HE2  PHE   7           2HE      PHE   7   1.796  -4.695  10.192
   64    HZ   PHE   7           HZ       PHE   7   0.887  -2.466  10.726
   65    H    LYS   8           H        LYS   8   5.801  -4.040   4.112
   66    HA   LYS   8           HA       LYS   8   5.161  -2.027   2.311
   67   1HB   LYS   8          2HB       LYS   8   6.929  -2.926   0.953
   68   2HB   LYS   8          1HB       LYS   8   7.382  -3.172   2.639
   69   1HG   LYS   8          2HG       LYS   8   6.055  -5.450   2.165
   70   2HG   LYS   8          1HG       LYS   8   6.726  -5.136   0.559
   71   1HD   LYS   8          2HD       LYS   8   8.952  -4.790   1.772
   72   2HD   LYS   8          1HD       LYS   8   8.158  -5.541   3.166
   73   1HE   LYS   8          2HE       LYS   8   8.602  -7.542   2.305
   74   2HE   LYS   8          1HE       LYS   8   7.580  -7.145   0.919
   75   1HZ   LYS   8          1HZ       LYS   8   9.607  -7.651  -0.037
   76   2HZ   LYS   8          2HZ       LYS   8  10.509  -6.908   1.186
   77   3HZ   LYS   8          3HZ       LYS   8   9.674  -5.964   0.058
   78    H    ARG   9           H        ARG   9   3.891  -5.156   2.699
   79    HA   ARG   9           HA       ARG   9   2.689  -5.126   0.018
   80   1HB   ARG   9          2HB       ARG   9   2.407  -7.633   0.483
   81   2HB   ARG   9          1HB       ARG   9   4.008  -7.034   0.079
   82   1HG   ARG   9          2HG       ARG   9   3.696  -6.908   2.906
   83   2HG   ARG   9          1HG       ARG   9   3.213  -8.515   2.350
   84   1HD   ARG   9          2HD       ARG   9   5.774  -7.174   1.512
   85   2HD   ARG   9          1HD       ARG   9   5.657  -8.227   2.921
   86    HE   ARG   9           HE       ARG   9   5.174  -9.082   0.138
   87   1HH1  ARG   9          1HH1      ARG   9   6.117  -9.753   3.425
   88   2HH1  ARG   9          2HH1      ARG   9   6.562 -11.394   3.099
   89   1HH2  ARG   9          1HH2      ARG   9   5.755 -11.244  -0.299
   90   2HH2  ARG   9          2HH2      ARG   9   6.356 -12.242   0.984
   91    H    ASN  10           H        ASN  10   2.099  -5.811   3.440
   92    HA   ASN  10           HA       ASN  10  -0.675  -6.365   3.071
   93   1HB   ASN  10          2HB       ASN  10   1.027  -7.004   5.000
   94   2HB   ASN  10          1HB       ASN  10   0.272  -5.600   5.738
   95   1HD2  ASN  10          1HD2      ASN  10  -0.853  -6.655   7.298
   96   2HD2  ASN  10          2HD2      ASN  10  -2.146  -7.754   6.973
   97    H    ARG  11           H        ARG  11   0.764  -3.884   5.144
   98    HA   ARG  11           HA       ARG  11  -1.523  -2.269   5.193
   99   1HB   ARG  11          2HB       ARG  11   0.759  -2.355   6.609
  100   2HB   ARG  11          1HB       ARG  11   1.069  -0.938   5.618
  101   1HG   ARG  11          2HG       ARG  11   0.093  -0.263   7.707
  102   2HG   ARG  11          1HG       ARG  11  -1.061   0.031   6.404
  103   1HD   ARG  11          2HD       ARG  11  -1.962  -1.021   8.544
  104   2HD   ARG  11          1HD       ARG  11  -2.393  -1.798   7.022
  105    HE   ARG  11           HE       ARG  11  -0.105  -3.062   7.902
  106   1HH1  ARG  11          1HH1      ARG  11  -3.346  -2.567   9.083
  107   2HH1  ARG  11          2HH1      ARG  11  -3.383  -4.049   9.977
  108   1HH2  ARG  11          1HH2      ARG  11  -0.146  -5.014   9.075
  109   2HH2  ARG  11          2HH2      ARG  11  -1.565  -5.440   9.972
  110   1H    LYS  12          1HT       LYS  12  10.506   1.944   1.194
  111   2H    LYS  12          2HT       LYS  12   9.753   1.045  -0.025
  112   3H    LYS  12          3HT       LYS  12  10.924   0.323   0.957
  113    HA   LYS  12           HA       LYS  12   8.335   0.021   1.361
  114   1HB   LYS  12          2HB       LYS  12   8.993  -1.027   3.297
  115   2HB   LYS  12          1HB       LYS  12  10.563  -0.810   2.539
  116   1HG   LYS  12          2HG       LYS  12   9.405   1.111   4.547
  117   2HG   LYS  12          1HG       LYS  12  10.458  -0.244   4.968
  118   1HD   LYS  12          2HD       LYS  12  11.188   1.980   3.062
  119   2HD   LYS  12          1HD       LYS  12  11.685   1.894   4.753
  120   1HE   LYS  12          2HE       LYS  12  12.363  -0.088   2.582
  121   2HE   LYS  12          1HE       LYS  12  13.461   1.096   3.294
  122   1HZ   LYS  12          1HZ       LYS  12  14.003  -0.612   4.622
  123   2HZ   LYS  12          2HZ       LYS  12  12.563  -1.452   4.335
  124   3HZ   LYS  12          3HZ       LYS  12  12.597  -0.196   5.467
  125    H    LEU  13           H        LEU  13  10.049   2.916   2.235
  126    HA   LEU  13           HA       LEU  13   8.027   3.859   4.046
  127   1HB   LEU  13          2HB       LEU  13  10.640   4.502   3.658
  128   2HB   LEU  13          1HB       LEU  13   9.846   5.835   2.839
  129    HG   LEU  13           HG       LEU  13   8.492   5.621   5.261
  130   1HD1  LEU  13          1HD1      LEU  13  11.299   4.759   5.530
  131   2HD1  LEU  13          2HD1      LEU  13   9.900   4.416   6.547
  132   3HD1  LEU  13          3HD1      LEU  13  10.734   5.964   6.687
  133   1HD2  LEU  13          1HD2      LEU  13   8.817   7.757   4.530
  134   2HD2  LEU  13          2HD2      LEU  13  10.489   7.460   4.054
  135   3HD2  LEU  13          3HD2      LEU  13  10.081   7.671   5.757
  136    H    LEU  14           H        LEU  14   7.136   3.057   1.462
  137    HA   LEU  14           HA       LEU  14   5.852   5.547   0.598
  138   1HB   LEU  14          2HB       LEU  14   6.940   5.374  -1.354
  139   2HB   LEU  14          1HB       LEU  14   7.544   3.777  -0.959
  140    HG   LEU  14           HG       LEU  14   5.147   2.988  -1.635
  141   1HD1  LEU  14          1HD1      LEU  14   4.487   5.494  -1.841
  142   2HD1  LEU  14          2HD1      LEU  14   3.901   4.333  -3.031
  143   3HD1  LEU  14          3HD1      LEU  14   5.266   5.380  -3.420
  144   1HD2  LEU  14          1HD2      LEU  14   7.129   2.330  -2.825
  145   2HD2  LEU  14          2HD2      LEU  14   7.231   3.906  -3.608
  146   3HD2  LEU  14          3HD2      LEU  14   5.898   2.817  -3.991
  147    H    ILE  15           H        ILE  15   5.778   2.125   1.142
  148    HA   ILE  15           HA       ILE  15   2.850   2.153   0.847
  149    HB   ILE  15           HB       ILE  15   3.537   0.734  -0.861
  150   1HG1  ILE  15          2HG1      ILE  15   2.827  -1.481  -0.232
  151   2HG1  ILE  15          1HG1      ILE  15   3.215  -1.177   1.458
  152   1HG2  ILE  15          1HG2      ILE  15   5.250  -1.196   0.292
  153   2HG2  ILE  15          2HG2      ILE  15   5.865   0.396   0.741
  154   3HG2  ILE  15          3HG2      ILE  15   5.623  -0.008  -0.958
  155   1HD1  ILE  15          1HD1      ILE  15   0.962  -0.911   1.488
  156   2HD1  ILE  15          2HD1      ILE  15   0.900  -0.264  -0.154
  157   3HD1  ILE  15          3HD1      ILE  15   1.469   0.752   1.176
  158    H    THR  16           H        THR  16   5.475   0.356   2.453
  159    HA   THR  16           HA       THR  16   4.151  -1.013   4.381
  160    HB   THR  16           HB       THR  16   6.782   0.427   4.432
  161    HG1  THR  16           1HG      THR  16   7.448  -1.415   3.759
  162   1HG2  THR  16          1HG2      THR  16   7.302  -0.026   6.562
  163   2HG2  THR  16          2HG2      THR  16   6.347  -1.508   6.596
  164   3HG2  THR  16          3HG2      THR  16   5.554   0.055   6.801
  165    H    ILE  17           H        ILE  17   5.742   1.956   5.228
  166    HA   ILE  17           HA       ILE  17   3.924   2.458   7.429
  167    HB   ILE  17           HB       ILE  17   6.258   2.547   7.890
  168   1HG1  ILE  17          2HG1      ILE  17   6.564   5.044   8.442
  169   2HG1  ILE  17          1HG1      ILE  17   4.964   5.266   7.741
  170   1HG2  ILE  17          1HG2      ILE  17   7.166   2.779   5.716
  171   2HG2  ILE  17          2HG2      ILE  17   7.711   4.200   6.630
  172   3HG2  ILE  17          3HG2      ILE  17   6.372   4.351   5.475
  173   1HD1  ILE  17          1HD1      ILE  17   5.437   3.260   9.912
  174   2HD1  ILE  17          2HD1      ILE  17   3.928   4.036   9.409
  175   3HD1  ILE  17          3HD1      ILE  17   5.153   4.968  10.273
  176    H    HIS  18           H        HIS  18   5.090   4.039   4.508
  177    HA   HIS  18           HA       HIS  18   3.956   6.534   4.876
  178   1HB   HIS  18          2HB       HIS  18   5.596   6.305   3.200
  179   2HB   HIS  18          1HB       HIS  18   4.748   4.957   2.441
  180    HD1  HIS  18           1HD      HIS  18   2.311   5.727   1.463
  181    HD2  HIS  18           2HD      HIS  18   5.244   8.626   1.832
  182    HE1  HIS  18           1HE      HIS  18   1.606   7.587  -0.093
  183    HE2  HIS  18           2HE      HIS  18   3.387   9.354   0.181
  184    H    ASP  19           H        ASP  19   2.418   3.559   4.099
  185    HA   ASP  19           HA       ASP  19   0.148   4.653   2.765
  186   1HB   ASP  19          2HB       ASP  19   0.682   2.320   2.513
  187   2HB   ASP  19          1HB       ASP  19   0.531   2.042   4.240
  188    H    ARG  20           H        ARG  20   0.801   3.653   6.103
  189    HA   ARG  20           HA       ARG  20  -1.715   4.452   7.139
  190   1HB   ARG  20          2HB       ARG  20   0.894   4.338   8.659
  191   2HB   ARG  20          1HB       ARG  20  -0.731   4.138   9.305
  192   1HG   ARG  20          2HG       ARG  20  -0.964   2.035   8.101
  193   2HG   ARG  20          1HG       ARG  20   0.648   2.243   7.414
  194   1HD   ARG  20          2HD       ARG  20   0.470   2.420  10.346
  195   2HD   ARG  20          1HD       ARG  20   0.136   0.833   9.659
  196    HE   ARG  20           HE       ARG  20   2.415   1.468   8.439
  197   1HH1  ARG  20          1HH1      ARG  20   1.457   1.709  11.782
  198   2HH1  ARG  20          2HH1      ARG  20   3.066   1.511  12.390
  199   1HH2  ARG  20          1HH2      ARG  20   4.527   1.211   9.231
  200   2HH2  ARG  20          2HH2      ARG  20   4.812   1.227  10.940
  201    H    LYS  21           H        LYS  21   0.914   6.098   5.961
  202    HA   LYS  21           HA       LYS  21   0.777   8.473   7.575
  203   1HB   LYS  21          2HB       LYS  21   2.889   7.915   6.621
  204   2HB   LYS  21          1HB       LYS  21   2.178   7.719   5.019
  205   1HG   LYS  21          2HG       LYS  21   1.572  10.264   5.378
  206   2HG   LYS  21          1HG       LYS  21   2.955  10.190   6.472
  207   1HD   LYS  21          2HD       LYS  21   3.037   9.235   3.615
  208   2HD   LYS  21          1HD       LYS  21   3.489  10.868   4.109
  209   1HE   LYS  21          2HE       LYS  21   4.747   8.630   5.581
  210   2HE   LYS  21          1HE       LYS  21   5.247   8.858   3.905
  211   1HZ   LYS  21          1HZ       LYS  21   6.599  10.075   5.593
  212   2HZ   LYS  21          2HZ       LYS  21   5.248  11.043   5.908
  213   3HZ   LYS  21          3HZ       LYS  21   5.954  11.052   4.372
  214    H    GLU  22           H        GLU  22  -0.235   7.498   4.324
  215    HA   GLU  22           HA       GLU  22  -1.396  10.049   3.730
  216   1HB   GLU  22          2HB       GLU  22  -2.314   8.770   1.716
  217   2HB   GLU  22          1HB       GLU  22  -0.567   8.912   1.854
  218   1HG   GLU  22          2HG       GLU  22  -0.284   6.685   2.329
  219   2HG   GLU  22          1HG       GLU  22  -1.915   6.503   2.978
  220    H    PHE  23           H        PHE  23  -3.453   7.597   2.668
  221    HA   PHE  23           HA       PHE  23  -5.398   8.245   4.780
  222   1HB   PHE  23          2HB       PHE  23  -5.658   8.200   1.811
  223   2HB   PHE  23          1HB       PHE  23  -7.056   7.745   2.778
  224    HD1  PHE  23           1HD      PHE  23  -7.434   9.448   4.852
  225    HD2  PHE  23           2HD      PHE  23  -5.564  10.385   1.144
  226    HE1  PHE  23           1HE      PHE  23  -7.978  11.824   5.183
  227    HE2  PHE  23           2HE      PHE  23  -6.104  12.764   1.470
  228    HZ   PHE  23           HZ       PHE  23  -7.312  13.486   3.492
  229    H    ALA  24           H        ALA  24  -3.827   6.049   5.160
  230    HA   ALA  24           HA       ALA  24  -4.909   3.655   4.094
  231   1HB   ALA  24          1HB       ALA  24  -2.644   3.741   4.970
  232   2HB   ALA  24          2HB       ALA  24  -3.593   2.515   5.810
  233   3HB   ALA  24          3HB       ALA  24  -3.270   4.065   6.586
  234    H    LYS  25           H        LYS  25  -6.255   5.826   6.173
  235    HA   LYS  25           HA       LYS  25  -7.378   4.356   8.235
  236   1HB   LYS  25          2HB       LYS  25  -9.373   6.168   7.350
  237   2HB   LYS  25          1HB       LYS  25  -8.264   6.350   8.699
  238   1HG   LYS  25          2HG       LYS  25  -7.373   7.030   5.931
  239   2HG   LYS  25          1HG       LYS  25  -8.362   8.164   6.855
  240   1HD   LYS  25          2HD       LYS  25  -6.550   7.604   8.722
  241   2HD   LYS  25          1HD       LYS  25  -5.564   7.275   7.298
  242   1HE   LYS  25          2HE       LYS  25  -6.189   9.530   6.434
  243   2HE   LYS  25          1HE       LYS  25  -6.993   9.842   7.971
  244   1HZ   LYS  25          1HZ       LYS  25  -4.121   9.139   7.726
  245   2HZ   LYS  25          2HZ       LYS  25  -4.929   9.665   9.115
  246   3HZ   LYS  25          3HZ       LYS  25  -4.697  10.728   7.819
  247    H    PHE  26           H        PHE  26  -8.449   4.704   4.893
  248    HA   PHE  26           HA       PHE  26 -10.398   2.556   5.378
  249   1HB   PHE  26          2HB       PHE  26 -11.155   3.910   3.029
  250   2HB   PHE  26          1HB       PHE  26 -11.998   3.889   4.575
  251    HD1  PHE  26           1HD      PHE  26 -12.279   5.853   5.760
  252    HD2  PHE  26           2HD      PHE  26  -9.272   5.640   2.764
  253    HE1  PHE  26           1HE      PHE  26 -11.848   8.256   6.028
  254    HE2  PHE  26           2HE      PHE  26  -8.835   8.037   3.020
  255    HZ   PHE  26           HZ       PHE  26 -10.123   9.359   4.655
  256    H    GLU  27           H        GLU  27  -7.495   3.088   4.109
  257    HA   GLU  27           HA       GLU  27  -7.783   1.861   1.541
  258   1HB   GLU  27          2HB       GLU  27  -5.548   2.808   3.227
  259   2HB   GLU  27          1HB       GLU  27  -5.164   1.551   2.058
  260   1HG   GLU  27          2HG       GLU  27  -6.632   3.259   0.542
  261   2HG   GLU  27          1HG       GLU  27  -5.833   4.364   1.659
  262    H    GLU  28           H        GLU  28  -8.453   0.640   4.341
  263    HA   GLU  28           HA       GLU  28  -7.413  -2.039   3.719
  264   1HB   GLU  28          2HB       GLU  28  -8.032  -0.810   6.417
  265   2HB   GLU  28          1HB       GLU  28  -7.671  -2.514   6.169
  266   1HG   GLU  28          2HG       GLU  28  -5.701  -0.617   5.080
  267   2HG   GLU  28          1HG       GLU  28  -5.838  -0.666   6.839
  268    H    GLU  29           H        GLU  29  -9.936  -0.033   3.605
  269    HA   GLU  29           HA       GLU  29 -11.936  -2.159   3.963
  270   1HB   GLU  29          2HB       GLU  29 -12.144   0.812   4.469
  271   2HB   GLU  29          1HB       GLU  29 -13.554  -0.233   4.335
  272   1HG   GLU  29          2HG       GLU  29 -12.387  -1.628   6.176
  273   2HG   GLU  29          1HG       GLU  29 -11.452  -0.159   6.452
  274    H    ARG  30           H        ARG  30 -12.049   1.069   2.467
  275    HA   ARG  30           HA       ARG  30 -12.843  -0.222  -0.058
  276   1HB   ARG  30          2HB       ARG  30 -14.531   1.299  -0.394
  277   2HB   ARG  30          1HB       ARG  30 -14.572   1.128   1.356
  278   1HG   ARG  30          2HG       ARG  30 -14.314   3.306   1.555
  279   2HG   ARG  30          1HG       ARG  30 -12.733   3.187   0.777
  280   1HD   ARG  30          2HD       ARG  30 -14.086   4.777  -0.423
  281   2HD   ARG  30          1HD       ARG  30 -13.854   3.344  -1.423
  282    HE   ARG  30           HE       ARG  30 -16.130   2.683  -0.798
  283   1HH1  ARG  30          1HH1      ARG  30 -15.200   6.012  -0.345
  284   2HH1  ARG  30          2HH1      ARG  30 -16.826   6.606  -0.407
  285   1HH2  ARG  30          1HH2      ARG  30 -18.269   3.457  -0.878
  286   2HH2  ARG  30          2HH2      ARG  30 -18.571   5.154  -0.707
  287    H    ALA  31           H        ALA  31 -11.112   2.489   1.404
  288    HA   ALA  31           HA       ALA  31 -10.390   3.862  -0.904
  289   1HB   ALA  31          1HB       ALA  31  -8.306   4.488   0.508
  290   2HB   ALA  31          2HB       ALA  31  -9.158   3.638   1.796
  291   3HB   ALA  31          3HB       ALA  31  -9.909   5.028   1.014
  292    H    ARG  32           H        ARG  32  -9.618   0.723  -0.213
  293    HA   ARG  32           HA       ARG  32  -6.999   0.840  -1.505
  294   1HB   ARG  32          2HB       ARG  32  -7.743  -0.639   0.561
  295   2HB   ARG  32          1HB       ARG  32  -8.232  -1.739  -0.712
  296   1HG   ARG  32          2HG       ARG  32  -5.483  -0.575  -0.353
  297   2HG   ARG  32          1HG       ARG  32  -5.973  -2.223   0.076
  298   1HD   ARG  32          2HD       ARG  32  -6.452  -1.206  -2.687
  299   2HD   ARG  32          1HD       ARG  32  -4.820  -1.726  -2.230
  300    HE   ARG  32           HE       ARG  32  -7.088  -3.403  -2.736
  301   1HH1  ARG  32          1HH1      ARG  32  -4.095  -3.152  -0.968
  302   2HH1  ARG  32          2HH1      ARG  32  -3.881  -4.866  -0.835
  303   1HH2  ARG  32          1HH2      ARG  32  -6.813  -5.659  -2.568
  304   2HH2  ARG  32          2HH2      ARG  32  -5.426  -6.291  -1.745
  305    H    ALA  33           H        ALA  33 -10.137  -0.768  -1.883
  306    HA   ALA  33           HA       ALA  33  -9.596  -2.163  -4.197
  307   1HB   ALA  33          1HB       ALA  33 -11.611  -2.705  -3.389
  308   2HB   ALA  33          2HB       ALA  33 -12.128  -1.626  -4.687
  309   3HB   ALA  33          3HB       ALA  33 -12.069  -1.044  -3.019
  310    H    LYS  34           H        LYS  34  -9.542   1.137  -3.729
  311    HA   LYS  34           HA       LYS  34 -10.298   2.159  -6.246
  312   1HB   LYS  34          2HB       LYS  34  -8.045   3.276  -4.568
  313   2HB   LYS  34          1HB       LYS  34  -9.228   4.154  -5.544
  314   1HG   LYS  34          2HG       LYS  34 -10.970   3.381  -3.909
  315   2HG   LYS  34          1HG       LYS  34  -9.637   2.773  -2.914
  316   1HD   LYS  34          2HD       LYS  34  -9.117   4.825  -2.183
  317   2HD   LYS  34          1HD       LYS  34  -9.247   5.525  -3.798
  318   1HE   LYS  34          2HE       LYS  34 -11.864   4.891  -3.006
  319   2HE   LYS  34          1HE       LYS  34 -11.100   5.639  -1.605
  320   1HZ   LYS  34          1HZ       LYS  34 -12.233   7.025  -3.560
  321   2HZ   LYS  34          2HZ       LYS  34 -10.654   6.952  -4.158
  322   3HZ   LYS  34          3HZ       LYS  34 -10.948   7.621  -2.634
  323    H    TRP  35           H        TRP  35  -7.304   1.041  -4.856
  324    HA   TRP  35           HA       TRP  35  -5.697   1.317  -7.200
  325   1HB   TRP  35          2HB       TRP  35  -5.016  -0.576  -4.989
  326   2HB   TRP  35          1HB       TRP  35  -3.961   0.545  -5.860
  327    HD1  TRP  35           HD       TRP  35  -4.664   0.093  -2.576
  328    HE1  TRP  35           1HE      TRP  35  -5.071   2.217  -1.222
  329    HE3  TRP  35           3HE      TRP  35  -5.601   3.349  -6.398
  330    HZ2  TRP  35           2HZ      TRP  35  -5.691   4.892  -1.673
  331    HZ3  TRP  35           3HZ      TRP  35  -6.088   5.699  -5.844
  332    HH2  TRP  35           HH       TRP  35  -6.131   6.460  -3.521
  333    H    ASP  36           H        ASP  36  -7.695  -1.101  -5.739
  334    HA   ASP  36           HA       ASP  36  -6.800  -3.404  -7.051
  335   1HB   ASP  36          2HB       ASP  36  -8.837  -2.694  -5.242
  336   2HB   ASP  36          1HB       ASP  36  -9.637  -3.491  -6.598
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1  14.834  -5.190   9.945
    2   2H    MET   1          2HT       MET   1  14.726  -5.193   8.256
    3   3H    MET   1          3HT       MET   1  13.628  -6.093   9.175
    4    HA   MET   1           HA       MET   1  13.860  -3.146   9.278
    5   1HB   MET   1          2HB       MET   1  11.423  -3.801   8.140
    6   2HB   MET   1          1HB       MET   1  12.821  -3.131   7.318
    7   1HG   MET   1          2HG       MET   1  12.087  -5.003   6.082
    8   2HG   MET   1          1HG       MET   1  13.592  -5.455   6.881
    9   1HE   MET   1          1HE       MET   1  10.255  -4.821   8.219
   10   2HE   MET   1          2HE       MET   1  10.244  -6.010   9.525
   11   3HE   MET   1          3HE       MET   1   9.379  -6.344   8.025
   12    H    TRP   2           H        TRP   2  10.899  -3.124   9.420
   13    HA   TRP   2           HA       TRP   2  10.601  -4.051  12.203
   14   1HB   TRP   2          2HB       TRP   2   8.844  -1.847  11.505
   15   2HB   TRP   2          1HB       TRP   2  10.005  -1.972  12.838
   16    HD1  TRP   2           HD       TRP   2  12.232  -0.554  12.543
   17    HE1  TRP   2           1HE      TRP   2  13.133   0.941  10.638
   18    HE3  TRP   2           3HE      TRP   2   8.820  -1.707   8.996
   19    HZ2  TRP   2           2HZ      TRP   2  12.434   1.521   7.940
   20    HZ3  TRP   2           3HZ      TRP   2   8.970  -0.676   6.791
   21    HH2  TRP   2           HH       TRP   2  10.751   0.909   6.264
   22    H    LYS   3           H        LYS   3   8.319  -2.700   9.819
   23    HA   LYS   3           HA       LYS   3   6.666  -5.086  10.195
   24   1HB   LYS   3          2HB       LYS   3   4.684  -3.665   9.908
   25   2HB   LYS   3          1HB       LYS   3   5.636  -3.224  11.317
   26   1HG   LYS   3          2HG       LYS   3   5.842  -1.815   8.667
   27   2HG   LYS   3          1HG       LYS   3   4.743  -1.320   9.959
   28   1HD   LYS   3          2HD       LYS   3   6.631  -1.002  11.456
   29   2HD   LYS   3          1HD       LYS   3   7.721  -1.565  10.182
   30   1HE   LYS   3          2HE       LYS   3   7.429   0.982  10.563
   31   2HE   LYS   3          1HE       LYS   3   7.459   0.338   8.922
   32   1HZ   LYS   3          1HZ       LYS   3   5.447   1.160   8.570
   33   2HZ   LYS   3          2HZ       LYS   3   5.471   1.870  10.104
   34   3HZ   LYS   3          3HZ       LYS   3   4.812   0.328   9.899
   35    H    VAL   4           H        VAL   4   7.994  -2.886   7.922
   36    HA   VAL   4           HA       VAL   4   6.563  -2.998   5.668
   37    HB   VAL   4           HB       VAL   4   8.557  -1.871   5.476
   38   1HG1  VAL   4          1HG1      VAL   4  10.760  -2.937   5.833
   39   2HG1  VAL   4          2HG1      VAL   4   9.920  -4.401   6.348
   40   3HG1  VAL   4          3HG1      VAL   4   9.746  -2.909   7.275
   41   1HG2  VAL   4          1HG2      VAL   4   8.054  -3.130   3.412
   42   2HG2  VAL   4          2HG2      VAL   4   9.116  -4.421   3.978
   43   3HG2  VAL   4          3HG2      VAL   4   9.779  -2.824   3.629
   44    H    GLY   5           H        GLY   5   8.581  -5.649   6.855
   45   1HA   GLY   5          2HA       GLY   5   8.698  -7.444   4.906
   46   2HA   GLY   5          1HA       GLY   5   8.221  -7.936   6.525
   47    H    PHE   6           H        PHE   6   5.772  -6.758   6.743
   48    HA   PHE   6           HA       PHE   6   4.243  -8.026   4.632
   49   1HB   PHE   6          2HB       PHE   6   2.987  -7.684   7.199
   50   2HB   PHE   6          1HB       PHE   6   2.885  -9.048   6.109
   51    HD1  PHE   6           1HD      PHE   6   4.056  -7.963   9.223
   52    HD2  PHE   6           2HD      PHE   6   5.122 -10.450   5.937
   53    HE1  PHE   6           1HE      PHE   6   5.588  -9.224  10.678
   54    HE2  PHE   6           2HE      PHE   6   6.655 -11.716   7.387
   55    HZ   PHE   6           HZ       PHE   6   6.890 -11.103   9.761
   56    H    PHE   7           H        PHE   7   5.080  -5.162   6.044
   57    HA   PHE   7           HA       PHE   7   2.509  -3.893   5.876
   58   1HB   PHE   7          2HB       PHE   7   5.099  -3.268   6.953
   59   2HB   PHE   7          1HB       PHE   7   4.483  -1.917   6.000
   60    HD1  PHE   7           1HD      PHE   7   3.680  -0.320   7.401
   61    HD2  PHE   7           2HD      PHE   7   2.811  -4.398   8.215
   62    HE1  PHE   7           1HE      PHE   7   2.241   0.372   9.274
   63    HE2  PHE   7           2HE      PHE   7   1.366  -3.723  10.095
   64    HZ   PHE   7           HZ       PHE   7   1.080  -1.333  10.625
   65    H    LYS   8           H        LYS   8   5.460  -3.879   3.985
   66    HA   LYS   8           HA       LYS   8   4.877  -1.881   2.168
   67   1HB   LYS   8          2HB       LYS   8   6.476  -2.959   0.718
   68   2HB   LYS   8          1HB       LYS   8   7.015  -3.169   2.382
   69   1HG   LYS   8          2HG       LYS   8   5.498  -5.365   2.072
   70   2HG   LYS   8          1HG       LYS   8   6.129  -5.161   0.431
   71   1HD   LYS   8          2HD       LYS   8   8.420  -4.997   1.446
   72   2HD   LYS   8          1HD       LYS   8   7.686  -5.455   2.991
   73   1HE   LYS   8          2HE       LYS   8   7.811  -7.594   2.409
   74   2HE   LYS   8          1HE       LYS   8   6.756  -7.264   1.032
   75   1HZ   LYS   8          1HZ       LYS   8   8.778  -8.249   0.253
   76   2HZ   LYS   8          2HZ       LYS   8   9.723  -7.112   1.074
   77   3HZ   LYS   8          3HZ       LYS   8   8.764  -6.628  -0.233
   78    H    ARG   9           H        ARG   9   3.431  -4.943   2.637
   79    HA   ARG   9           HA       ARG   9   2.072  -4.833   0.035
   80   1HB   ARG   9          2HB       ARG   9   1.946  -7.240   1.796
   81   2HB   ARG   9          1HB       ARG   9   1.892  -7.141   0.042
   82   1HG   ARG   9          2HG       ARG   9   4.028  -7.709  -0.015
   83   2HG   ARG   9          1HG       ARG   9   4.428  -6.206   0.821
   84   1HD   ARG   9          2HD       ARG   9   5.341  -7.781   2.235
   85   2HD   ARG   9          1HD       ARG   9   3.751  -7.532   2.955
   86    HE   ARG   9           HE       ARG   9   4.487  -9.834   1.268
   87   1HH1  ARG   9          1HH1      ARG   9   2.566  -8.363   3.774
   88   2HH1  ARG   9          2HH1      ARG   9   1.738  -9.829   4.180
   89   1HH2  ARG   9          1HH2      ARG   9   3.404 -11.771   1.795
   90   2HH2  ARG   9          2HH2      ARG   9   2.215 -11.767   3.054
   91    H    ASN  10           H        ASN  10   1.450  -5.899   3.371
   92    HA   ASN  10           HA       ASN  10  -1.332  -5.776   3.237
   93   1HB   ASN  10          2HB       ASN  10   0.427  -6.702   5.035
   94   2HB   ASN  10          1HB       ASN  10  -0.184  -5.275   5.860
   95   1HD2  ASN  10          1HD2      ASN  10  -2.414  -5.139   6.324
   96   2HD2  ASN  10          2HD2      ASN  10  -3.394  -6.559   6.412
   97    H    ARG  11           H        ARG  11   0.467  -3.744   5.439
   98    HA   ARG  11           HA       ARG  11  -1.478  -1.635   5.192
   99   1HB   ARG  11          2HB       ARG  11   0.700  -2.380   6.993
  100   2HB   ARG  11          1HB       ARG  11   0.492  -0.649   6.774
  101   1HG   ARG  11          2HG       ARG  11  -0.767  -1.339   8.687
  102   2HG   ARG  11          1HG       ARG  11  -1.890  -0.899   7.400
  103   1HD   ARG  11          2HD       ARG  11  -2.457  -3.000   8.670
  104   2HD   ARG  11          1HD       ARG  11  -2.370  -3.169   6.918
  105    HE   ARG  11           HE       ARG  11   0.041  -3.961   7.495
  106   1HH1  ARG  11          1HH1      ARG  11  -2.866  -4.622   9.305
  107   2HH1  ARG  11          2HH1      ARG  11  -2.288  -6.133   9.921
  108   1HH2  ARG  11          1HH2      ARG  11   0.806  -5.943   8.304
  109   2HH2  ARG  11          2HH2      ARG  11  -0.200  -6.884   9.353
  110   1H    LYS  12          1HT       LYS  12  10.990   0.647   1.338
  111   2H    LYS  12          2HT       LYS  12  10.074   1.872   0.616
  112   3H    LYS  12          3HT       LYS  12  10.021   0.299  -0.004
  113    HA   LYS  12           HA       LYS  12   8.176   0.063   1.192
  114   1HB   LYS  12          2HB       LYS  12   8.625  -1.052   3.165
  115   2HB   LYS  12          1HB       LYS  12  10.228  -1.038   2.443
  116   1HG   LYS  12          2HG       LYS  12   9.250   0.961   4.474
  117   2HG   LYS  12          1HG       LYS  12  10.197  -0.481   4.849
  118   1HD   LYS  12          2HD       LYS  12  11.106   1.689   2.963
  119   2HD   LYS  12          1HD       LYS  12  11.547   1.614   4.670
  120   1HE   LYS  12          2HE       LYS  12  12.109  -0.543   2.643
  121   2HE   LYS  12          1HE       LYS  12  13.273   0.676   3.158
  122   1HZ   LYS  12          1HZ       LYS  12  11.985  -0.896   5.251
  123   2HZ   LYS  12          2HZ       LYS  12  13.571  -0.321   5.153
  124   3HZ   LYS  12          3HZ       LYS  12  13.118  -1.699   4.283
  125    H    LEU  13           H        LEU  13  10.101   2.787   2.098
  126    HA   LEU  13           HA       LEU  13   8.184   3.867   3.928
  127   1HB   LEU  13          2HB       LEU  13  10.845   4.380   3.340
  128   2HB   LEU  13          1HB       LEU  13  10.003   5.822   2.798
  129    HG   LEU  13           HG       LEU  13   8.934   5.228   5.325
  130   1HD1  LEU  13          1HD1      LEU  13  11.035   5.322   6.701
  131   2HD1  LEU  13          2HD1      LEU  13  11.920   4.886   5.239
  132   3HD1  LEU  13          3HD1      LEU  13  10.717   3.781   5.903
  133   1HD2  LEU  13          1HD2      LEU  13   9.068   7.452   4.759
  134   2HD2  LEU  13          2HD2      LEU  13  10.722   7.311   4.160
  135   3HD2  LEU  13          3HD2      LEU  13  10.409   7.304   5.897
  136    H    LEU  14           H        LEU  14   7.196   3.154   1.347
  137    HA   LEU  14           HA       LEU  14   6.037   5.731   0.571
  138   1HB   LEU  14          2HB       LEU  14   7.148   5.525  -1.378
  139   2HB   LEU  14          1HB       LEU  14   7.532   3.841  -1.086
  140    HG   LEU  14           HG       LEU  14   5.059   3.405  -1.749
  141   1HD1  LEU  14          1HD1      LEU  14   4.106   5.524  -1.860
  142   2HD1  LEU  14          2HD1      LEU  14   4.425   5.138  -3.552
  143   3HD1  LEU  14          3HD1      LEU  14   5.508   6.220  -2.675
  144   1HD2  LEU  14          1HD2      LEU  14   6.844   2.583  -3.083
  145   2HD2  LEU  14          2HD2      LEU  14   7.222   4.197  -3.685
  146   3HD2  LEU  14          3HD2      LEU  14   5.722   3.406  -4.166
  147    H    ILE  15           H        ILE  15   5.795   2.304   1.025
  148    HA   ILE  15           HA       ILE  15   2.862   2.491   0.823
  149    HB   ILE  15           HB       ILE  15   3.427   1.062  -0.935
  150   1HG1  ILE  15          2HG1      ILE  15   2.627  -1.136  -0.290
  151   2HG1  ILE  15          1HG1      ILE  15   3.019  -0.820   1.396
  152   1HG2  ILE  15          1HG2      ILE  15   5.076  -0.930   0.350
  153   2HG2  ILE  15          2HG2      ILE  15   5.807   0.673   0.448
  154   3HG2  ILE  15          3HG2      ILE  15   5.372  -0.004  -1.122
  155   1HD1  ILE  15          1HD1      ILE  15   0.720  -0.540   1.251
  156   2HD1  ILE  15          2HD1      ILE  15   0.830   0.352  -0.267
  157   3HD1  ILE  15          3HD1      ILE  15   1.365   1.103   1.239
  158    H    THR  16           H        THR  16   5.406   0.447   2.249
  159    HA   THR  16           HA       THR  16   4.116  -0.858   4.220
  160    HB   THR  16           HB       THR  16   6.829   0.409   4.119
  161    HG1  THR  16           1HG      THR  16   6.936  -1.437   3.109
  162   1HG2  THR  16          1HG2      THR  16   6.596   0.572   6.419
  163   2HG2  THR  16          2HG2      THR  16   7.378  -0.991   6.178
  164   3HG2  THR  16          3HG2      THR  16   5.651  -0.913   6.526
  165    H    ILE  17           H        ILE  17   5.916   1.984   5.091
  166    HA   ILE  17           HA       ILE  17   4.249   2.533   7.383
  167    HB   ILE  17           HB       ILE  17   6.627   2.579   7.631
  168   1HG1  ILE  17          2HG1      ILE  17   6.995   5.045   8.250
  169   2HG1  ILE  17          1HG1      ILE  17   5.347   5.312   7.687
  170   1HG2  ILE  17          1HG2      ILE  17   7.283   2.898   5.368
  171   2HG2  ILE  17          2HG2      ILE  17   7.979   4.234   6.305
  172   3HG2  ILE  17          3HG2      ILE  17   6.533   4.506   5.311
  173   1HD1  ILE  17          1HD1      ILE  17   5.909   3.197   9.720
  174   2HD1  ILE  17          2HD1      ILE  17   4.422   4.106   9.411
  175   3HD1  ILE  17          3HD1      ILE  17   5.791   4.895  10.197
  176    H    HIS  18           H        HIS  18   5.186   4.140   4.379
  177    HA   HIS  18           HA       HIS  18   4.082   6.632   4.918
  178   1HB   HIS  18          2HB       HIS  18   5.608   6.531   3.150
  179   2HB   HIS  18          1HB       HIS  18   4.789   5.162   2.402
  180    HD1  HIS  18           1HD      HIS  18   2.274   5.839   1.542
  181    HD2  HIS  18           2HD      HIS  18   5.087   8.862   1.859
  182    HE1  HIS  18           1HE      HIS  18   1.420   7.699   0.066
  183    HE2  HIS  18           2HE      HIS  18   3.186   9.495   0.218
  184    H    ASP  19           H        ASP  19   2.472   3.690   4.197
  185    HA   ASP  19           HA       ASP  19   0.156   4.834   2.981
  186   1HB   ASP  19          2HB       ASP  19   0.638   2.526   2.606
  187   2HB   ASP  19          1HB       ASP  19   0.605   2.172   4.325
  188    H    ARG  20           H        ARG  20   0.919   3.755   6.287
  189    HA   ARG  20           HA       ARG  20  -1.600   4.518   7.363
  190   1HB   ARG  20          2HB       ARG  20  -0.613   4.158   9.526
  191   2HB   ARG  20          1HB       ARG  20  -0.020   2.906   8.444
  192   1HG   ARG  20          2HG       ARG  20   2.055   4.236   8.140
  193   2HG   ARG  20          1HG       ARG  20   1.463   5.350   9.372
  194   1HD   ARG  20          2HD       ARG  20   2.223   2.458   9.668
  195   2HD   ARG  20          1HD       ARG  20   2.905   3.858  10.494
  196    HE   ARG  20           HE       ARG  20   0.653   2.341  11.309
  197   1HH1  ARG  20          1HH1      ARG  20   1.888   5.599  11.212
  198   2HH1  ARG  20          2HH1      ARG  20   0.977   6.121  12.589
  199   1HH2  ARG  20          1HH2      ARG  20  -0.546   3.016  13.121
  200   2HH2  ARG  20          2HH2      ARG  20  -0.407   4.651  13.676
  201    H    LYS  21           H        LYS  21   0.732   6.270   5.992
  202    HA   LYS  21           HA       LYS  21   0.613   8.613   7.719
  203   1HB   LYS  21          2HB       LYS  21   2.780   8.149   6.879
  204   2HB   LYS  21          1HB       LYS  21   2.160   7.849   5.255
  205   1HG   LYS  21          2HG       LYS  21   1.422  10.369   5.455
  206   2HG   LYS  21          1HG       LYS  21   2.735  10.422   6.630
  207   1HD   LYS  21          2HD       LYS  21   4.309   9.642   4.987
  208   2HD   LYS  21          1HD       LYS  21   3.017   9.371   3.816
  209   1HE   LYS  21          2HE       LYS  21   3.956  12.017   4.916
  210   2HE   LYS  21          1HE       LYS  21   4.158  11.418   3.270
  211   1HZ   LYS  21          1HZ       LYS  21   2.206  12.281   2.746
  212   2HZ   LYS  21          2HZ       LYS  21   2.027  12.883   4.317
  213   3HZ   LYS  21          3HZ       LYS  21   1.432  11.348   3.927
  214    H    GLU  22           H        GLU  22  -0.290   7.540   4.479
  215    HA   GLU  22           HA       GLU  22  -1.438  10.066   3.757
  216   1HB   GLU  22          2HB       GLU  22  -2.309   8.667   1.776
  217   2HB   GLU  22          1HB       GLU  22  -0.574   8.903   1.931
  218   1HG   GLU  22          2HG       GLU  22  -0.181   6.720   2.478
  219   2HG   GLU  22          1HG       GLU  22  -1.793   6.485   3.164
  220    H    PHE  23           H        PHE  23  -3.410   7.458   2.797
  221    HA   PHE  23           HA       PHE  23  -5.468   8.278   4.738
  222   1HB   PHE  23          2HB       PHE  23  -5.675   7.736   1.790
  223   2HB   PHE  23          1HB       PHE  23  -7.088   7.649   2.837
  224    HD1  PHE  23           1HD      PHE  23  -4.763   9.810   1.118
  225    HD2  PHE  23           2HD      PHE  23  -7.850   9.678   4.044
  226    HE1  PHE  23           1HE      PHE  23  -5.042  12.247   0.928
  227    HE2  PHE  23           2HE      PHE  23  -8.136  12.114   3.858
  228    HZ   PHE  23           HZ       PHE  23  -6.731  13.403   2.299
  229    H    ALA  24           H        ALA  24  -3.709   6.079   5.164
  230    HA   ALA  24           HA       ALA  24  -4.690   3.594   4.409
  231   1HB   ALA  24          1HB       ALA  24  -2.648   3.429   5.423
  232   2HB   ALA  24          2HB       ALA  24  -3.706   2.904   6.737
  233   3HB   ALA  24          3HB       ALA  24  -3.077   4.553   6.714
  234    H    LYS  25           H        LYS  25  -6.171   5.922   6.358
  235    HA   LYS  25           HA       LYS  25  -7.506   4.569   8.326
  236   1HB   LYS  25          2HB       LYS  25  -9.464   6.213   7.682
  237   2HB   LYS  25          1HB       LYS  25  -7.968   6.816   8.380
  238   1HG   LYS  25          2HG       LYS  25  -7.839   6.666   5.487
  239   2HG   LYS  25          1HG       LYS  25  -9.165   7.685   6.051
  240   1HD   LYS  25          2HD       LYS  25  -6.280   7.934   6.908
  241   2HD   LYS  25          1HD       LYS  25  -7.083   8.957   5.717
  242   1HE   LYS  25          2HE       LYS  25  -8.464   8.748   8.301
  243   2HE   LYS  25          1HE       LYS  25  -6.886   9.530   8.366
  244   1HZ   LYS  25          1HZ       LYS  25  -9.234  10.328   6.744
  245   2HZ   LYS  25          2HZ       LYS  25  -7.687  10.964   6.493
  246   3HZ   LYS  25          3HZ       LYS  25  -8.474  11.212   7.970
  247    H    PHE  26           H        PHE  26  -8.614   4.953   4.951
  248    HA   PHE  26           HA       PHE  26 -10.363   2.636   5.391
  249   1HB   PHE  26          2HB       PHE  26 -11.415   3.678   3.152
  250   2HB   PHE  26          1HB       PHE  26 -11.959   4.117   4.766
  251    HD1  PHE  26           1HD      PHE  26 -11.873   6.326   5.480
  252    HD2  PHE  26           2HD      PHE  26  -9.656   5.141   2.053
  253    HE1  PHE  26           1HE      PHE  26 -11.358   8.682   5.005
  254    HE2  PHE  26           2HE      PHE  26  -9.132   7.490   1.570
  255    HZ   PHE  26           HZ       PHE  26  -9.983   9.270   3.046
  256    H    GLU  27           H        GLU  27  -7.484   2.973   4.476
  257    HA   GLU  27           HA       GLU  27  -7.584   1.831   1.815
  258   1HB   GLU  27          2HB       GLU  27  -5.587   3.081   3.494
  259   2HB   GLU  27          1HB       GLU  27  -4.981   1.600   2.764
  260   1HG   GLU  27          2HG       GLU  27  -6.271   2.820   0.687
  261   2HG   GLU  27          1HG       GLU  27  -5.564   4.174   1.568
  262    H    GLU  28           H        GLU  28  -8.454   0.618   4.527
  263    HA   GLU  28           HA       GLU  28  -7.198  -2.004   4.082
  264   1HB   GLU  28          2HB       GLU  28  -8.050  -0.657   6.643
  265   2HB   GLU  28          1HB       GLU  28  -7.814  -2.398   6.543
  266   1HG   GLU  28          2HG       GLU  28  -5.611  -0.718   5.535
  267   2HG   GLU  28          1HG       GLU  28  -5.902  -0.672   7.275
  268    H    GLU  29           H        GLU  29  -9.808  -0.222   3.559
  269    HA   GLU  29           HA       GLU  29 -11.686  -2.464   3.870
  270   1HB   GLU  29          2HB       GLU  29 -12.315   0.496   3.911
  271   2HB   GLU  29          1HB       GLU  29 -13.483  -0.811   4.080
  272   1HG   GLU  29          2HG       GLU  29 -11.229  -0.224   5.988
  273   2HG   GLU  29          1HG       GLU  29 -12.919   0.220   6.225
  274    H    ARG  30           H        ARG  30 -11.704   0.618   2.073
  275    HA   ARG  30           HA       ARG  30 -12.205  -0.930  -0.383
  276   1HB   ARG  30          2HB       ARG  30 -14.059   0.241  -0.779
  277   2HB   ARG  30          1HB       ARG  30 -13.919   0.855   0.862
  278   1HG   ARG  30          2HG       ARG  30 -13.944   2.856  -0.107
  279   2HG   ARG  30          1HG       ARG  30 -12.250   2.534  -0.484
  280   1HD   ARG  30          2HD       ARG  30 -13.418   3.283  -2.474
  281   2HD   ARG  30          1HD       ARG  30 -12.940   1.595  -2.652
  282    HE   ARG  30           HE       ARG  30 -15.158   0.995  -2.700
  283   1HH1  ARG  30          1HH1      ARG  30 -14.871   4.314  -1.672
  284   2HH1  ARG  30          2HH1      ARG  30 -16.570   4.631  -1.790
  285   1HH2  ARG  30          1HH2      ARG  30 -17.392   1.408  -2.867
  286   2HH2  ARG  30          2HH2      ARG  30 -18.002   2.978  -2.469
  287    H    ALA  31           H        ALA  31 -10.674   1.930   0.990
  288    HA   ALA  31           HA       ALA  31  -9.664   2.996  -1.407
  289   1HB   ALA  31          1HB       ALA  31  -9.096   4.620  -0.032
  290   2HB   ALA  31          2HB       ALA  31  -7.848   3.591   0.666
  291   3HB   ALA  31          3HB       ALA  31  -9.472   3.599   1.357
  292    H    ARG  32           H        ARG  32  -9.072   0.020  -0.504
  293    HA   ARG  32           HA       ARG  32  -6.211   0.113  -1.164
  294   1HB   ARG  32          2HB       ARG  32  -7.282  -1.102   0.950
  295   2HB   ARG  32          1HB       ARG  32  -7.459  -2.399  -0.212
  296   1HG   ARG  32          2HG       ARG  32  -4.898  -1.001   0.525
  297   2HG   ARG  32          1HG       ARG  32  -5.382  -2.635   1.013
  298   1HD   ARG  32          2HD       ARG  32  -5.385  -1.955  -1.880
  299   2HD   ARG  32          1HD       ARG  32  -3.820  -2.215  -1.086
  300    HE   ARG  32           HE       ARG  32  -5.977  -4.233  -1.081
  301   1HH1  ARG  32          1HH1      ARG  32  -2.622  -3.338  -1.377
  302   2HH1  ARG  32          2HH1      ARG  32  -2.076  -4.966  -1.606
  303   1HH2  ARG  32          1HH2      ARG  32  -5.266  -6.378  -1.384
  304   2HH2  ARG  32          2HH2      ARG  32  -3.578  -6.693  -1.611
  305    H    ALA  33           H        ALA  33  -9.235  -1.603  -1.803
  306    HA   ALA  33           HA       ALA  33  -8.256  -3.248  -3.838
  307   1HB   ALA  33          1HB       ALA  33 -10.339  -3.801  -3.052
  308   2HB   ALA  33          2HB       ALA  33 -10.682  -3.167  -4.663
  309   3HB   ALA  33          3HB       ALA  33 -10.980  -2.168  -3.236
  310    H    LYS  34           H        LYS  34  -8.522   0.060  -3.661
  311    HA   LYS  34           HA       LYS  34  -9.040   0.859  -6.312
  312   1HB   LYS  34          2HB       LYS  34  -7.024   2.223  -4.518
  313   2HB   LYS  34          1HB       LYS  34  -8.158   2.957  -5.654
  314   1HG   LYS  34          2HG       LYS  34  -8.886   1.603  -3.067
  315   2HG   LYS  34          1HG       LYS  34  -8.753   3.352  -3.311
  316   1HD   LYS  34          2HD       LYS  34 -10.554   1.693  -5.029
  317   2HD   LYS  34          1HD       LYS  34 -11.092   2.259  -3.447
  318   1HE   LYS  34          2HE       LYS  34 -10.063   4.538  -4.519
  319   2HE   LYS  34          1HE       LYS  34 -10.693   3.735  -5.958
  320   1HZ   LYS  34          1HZ       LYS  34 -12.644   3.487  -4.016
  321   2HZ   LYS  34          2HZ       LYS  34 -12.682   4.481  -5.383
  322   3HZ   LYS  34          3HZ       LYS  34 -12.106   5.088  -3.913
  323    H    TRP  35           H        TRP  35  -6.254  -0.163  -4.550
  324    HA   TRP  35           HA       TRP  35  -4.368   0.087  -6.706
  325   1HB   TRP  35          2HB       TRP  35  -3.885  -1.546  -4.240
  326   2HB   TRP  35          1HB       TRP  35  -2.766  -0.491  -5.114
  327    HD1  TRP  35           HD       TRP  35  -3.746  -0.569  -1.903
  328    HE1  TRP  35           1HE      TRP  35  -4.366   1.673  -0.856
  329    HE3  TRP  35           3HE      TRP  35  -4.553   2.141  -6.159
  330    HZ2  TRP  35           2HZ      TRP  35  -5.102   4.230  -1.681
  331    HZ3  TRP  35           3HZ      TRP  35  -5.231   4.495  -5.936
  332    HH2  TRP  35           HH       TRP  35  -5.493   5.528  -3.736
  333    H    ASP  36           H        ASP  36  -6.337  -2.383  -5.230
  334    HA   ASP  36           HA       ASP  36  -5.178  -4.708  -6.146
  335   1HB   ASP  36          2HB       ASP  36  -7.696  -3.912  -5.044
  336   2HB   ASP  36          1HB       ASP  36  -7.974  -5.063  -6.350
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1  15.826  -4.385   8.965
    2   2H    MET   1          2HT       MET   1  15.509  -4.533   7.311
    3   3H    MET   1          3HT       MET   1  14.587  -5.405   8.430
    4    HA   MET   1           HA       MET   1  14.658  -2.451   8.254
    5   1HB   MET   1          2HB       MET   1  12.131  -3.328   7.542
    6   2HB   MET   1          1HB       MET   1  13.358  -2.676   6.469
    7   1HG   MET   1          2HG       MET   1  12.579  -4.689   5.523
    8   2HG   MET   1          1HG       MET   1  14.200  -5.000   6.146
    9   1HE   MET   1          1HE       MET   1  11.050  -4.372   7.883
   10   2HE   MET   1          2HE       MET   1  11.272  -5.442   9.272
   11   3HE   MET   1          3HE       MET   1  10.232  -5.936   7.937
   12    H    TRP   2           H        TRP   2  11.749  -2.562   8.815
   13    HA   TRP   2           HA       TRP   2  11.889  -3.221  11.685
   14   1HB   TRP   2          2HB       TRP   2   9.902  -1.203  11.021
   15   2HB   TRP   2          1HB       TRP   2  11.224  -1.126  12.202
   16    HD1  TRP   2           HD       TRP   2  13.317   0.355  11.485
   17    HE1  TRP   2           1HE      TRP   2  13.871   1.707   9.355
   18    HE3  TRP   2           3HE      TRP   2   9.538  -1.280   8.549
   19    HZ2  TRP   2           2HZ      TRP   2  12.788   2.007   6.736
   20    HZ3  TRP   2           3HZ      TRP   2   9.335  -0.450   6.264
   21    HH2  TRP   2           HH       TRP   2  10.935   1.161   5.364
   22    H    LYS   3           H        LYS   3   9.239  -2.258   9.509
   23    HA   LYS   3           HA       LYS   3   7.811  -4.689  10.311
   24   1HB   LYS   3          2HB       LYS   3   5.724  -3.409  10.172
   25   2HB   LYS   3          1HB       LYS   3   6.817  -2.777  11.392
   26   1HG   LYS   3          2HG       LYS   3   6.599  -1.631   8.620
   27   2HG   LYS   3          1HG       LYS   3   5.620  -1.077   9.981
   28   1HD   LYS   3          2HD       LYS   3   7.672  -0.527  11.207
   29   2HD   LYS   3          1HD       LYS   3   8.614  -1.072   9.814
   30   1HE   LYS   3          2HE       LYS   3   8.140   1.456  10.092
   31   2HE   LYS   3          1HE       LYS   3   7.972   0.706   8.504
   32   1HZ   LYS   3          1HZ       LYS   3   6.082   2.196   9.784
   33   2HZ   LYS   3          2HZ       LYS   3   5.547   0.610  10.022
   34   3HZ   LYS   3          3HZ       LYS   3   5.813   1.186   8.454
   35    H    VAL   4           H        VAL   4   8.656  -2.603   7.707
   36    HA   VAL   4           HA       VAL   4   6.961  -3.045   5.685
   37    HB   VAL   4           HB       VAL   4   8.798  -1.761   5.164
   38   1HG1  VAL   4          1HG1      VAL   4  10.313  -2.594   6.836
   39   2HG1  VAL   4          2HG1      VAL   4  11.117  -2.599   5.266
   40   3HG1  VAL   4          3HG1      VAL   4  10.507  -4.106   5.951
   41   1HG2  VAL   4          1HG2      VAL   4   9.447  -4.335   3.749
   42   2HG2  VAL   4          2HG2      VAL   4   9.762  -2.692   3.188
   43   3HG2  VAL   4          3HG2      VAL   4   8.102  -3.283   3.301
   44    H    GLY   5           H        GLY   5   9.372  -5.397   6.772
   45   1HA   GLY   5          2HA       GLY   5   9.405  -7.341   4.968
   46   2HA   GLY   5          1HA       GLY   5   9.188  -7.730   6.669
   47    H    PHE   6           H        PHE   6   6.687  -6.730   7.114
   48    HA   PHE   6           HA       PHE   6   5.035  -8.287   5.314
   49   1HB   PHE   6          2HB       PHE   6   4.148  -7.848   8.036
   50   2HB   PHE   6          1HB       PHE   6   3.879  -9.239   7.014
   51    HD1  PHE   6           1HD      PHE   6   5.624 -10.960   6.795
   52    HD2  PHE   6           2HD      PHE   6   6.003  -7.725   9.535
   53    HE1  PHE   6           1HE      PHE   6   7.399 -12.180   7.984
   54    HE2  PHE   6           2HE      PHE   6   7.781  -8.940  10.728
   55    HZ   PHE   6           HZ       PHE   6   8.480 -11.171   9.953
   56    H    PHE   7           H        PHE   7   5.764  -5.257   6.398
   57    HA   PHE   7           HA       PHE   7   3.086  -4.225   6.499
   58   1HB   PHE   7          2HB       PHE   7   5.744  -3.273   7.088
   59   2HB   PHE   7          1HB       PHE   7   4.830  -2.081   6.164
   60    HD1  PHE   7           1HD      PHE   7   3.866  -4.506   8.819
   61    HD2  PHE   7           2HD      PHE   7   4.071  -0.458   7.551
   62    HE1  PHE   7           1HE      PHE   7   2.695  -3.809  10.872
   63    HE2  PHE   7           2HE      PHE   7   2.904   0.254   9.593
   64    HZ   PHE   7           HZ       PHE   7   2.212  -1.423  11.261
   65    H    LYS   8           H        LYS   8   5.753  -4.048   4.216
   66    HA   LYS   8           HA       LYS   8   4.733  -2.301   2.356
   67   1HB   LYS   8          2HB       LYS   8   6.221  -3.364   0.777
   68   2HB   LYS   8          1HB       LYS   8   6.994  -3.377   2.360
   69   1HG   LYS   8          2HG       LYS   8   5.682  -5.718   2.441
   70   2HG   LYS   8          1HG       LYS   8   6.049  -5.609   0.714
   71   1HD   LYS   8          2HD       LYS   8   8.436  -5.088   1.421
   72   2HD   LYS   8          1HD       LYS   8   7.947  -5.600   3.044
   73   1HE   LYS   8          2HE       LYS   8   8.253  -7.721   2.463
   74   2HE   LYS   8          1HE       LYS   8   7.029  -7.544   1.204
   75   1HZ   LYS   8          1HZ       LYS   8   9.515  -8.212   0.668
   76   2HZ   LYS   8          2HZ       LYS   8   9.704  -6.531   0.619
   77   3HZ   LYS   8          3HZ       LYS   8   8.586  -7.285  -0.401
   78    H    ARG   9           H        ARG   9   3.727  -5.467   3.191
   79    HA   ARG   9           HA       ARG   9   2.029  -5.691   0.809
   80   1HB   ARG   9          2HB       ARG   9   1.888  -8.125   1.557
   81   2HB   ARG   9          1HB       ARG   9   3.419  -7.566   0.899
   82   1HG   ARG   9          2HG       ARG   9   3.481  -7.135   3.698
   83   2HG   ARG   9          1HG       ARG   9   2.916  -8.783   3.406
   84   1HD   ARG   9          2HD       ARG   9   5.345  -7.616   2.069
   85   2HD   ARG   9          1HD       ARG   9   5.418  -8.473   3.607
   86    HE   ARG   9           HE       ARG   9   4.633 -10.451   2.454
   87   1HH1  ARG   9          1HH1      ARG   9   5.722  -7.820   0.440
   88   2HH1  ARG   9          2HH1      ARG   9   6.034  -8.833  -0.930
   89   1HH2  ARG   9          1HH2      ARG   9   5.042 -11.785   0.656
   90   2HH2  ARG   9          2HH2      ARG   9   5.647 -11.085  -0.808
   91    H    ASN  10           H        ASN  10   2.048  -6.115   4.328
   92    HA   ASN  10           HA       ASN  10  -0.778  -6.525   4.468
   93   1HB   ASN  10          2HB       ASN  10   1.186  -7.295   6.065
   94   2HB   ASN  10          1HB       ASN  10   0.676  -5.842   6.909
   95   1HD2  ASN  10          1HD2      ASN  10   0.246  -9.067   6.746
   96   2HD2  ASN  10          2HD2      ASN  10  -1.348  -9.191   7.400
   97    H    ARG  11           H        ARG  11   0.963  -4.304   6.497
   98    HA   ARG  11           HA       ARG  11  -1.181  -2.403   6.402
   99   1HB   ARG  11          2HB       ARG  11   1.211  -2.916   7.975
  100   2HB   ARG  11          1HB       ARG  11   0.860  -1.207   7.751
  101   1HG   ARG  11          2HG       ARG  11  -0.233  -1.744   9.730
  102   2HG   ARG  11          1HG       ARG  11  -1.513  -1.792   8.518
  103   1HD   ARG  11          2HD       ARG  11  -1.599  -3.698  10.086
  104   2HD   ARG  11          1HD       ARG  11  -1.382  -4.198   8.409
  105    HE   ARG  11           HE       ARG  11   1.101  -4.288   9.104
  106   1HH1  ARG  11          1HH1      ARG  11  -1.613  -5.081  11.145
  107   2HH1  ARG  11          2HH1      ARG  11  -0.718  -6.200  12.118
  108   1HH2  ARG  11          1HH2      ARG  11   2.286  -5.757  10.382
  109   2HH2  ARG  11          2HH2      ARG  11   1.498  -6.583  11.685
  110   1H    LYS  12          1HT       LYS  12   9.668   1.611   0.182
  111   2H    LYS  12          2HT       LYS  12   8.744   0.597  -0.807
  112   3H    LYS  12          3HT       LYS  12  10.058  -0.031   0.053
  113    HA   LYS  12           HA       LYS  12   7.563  -0.263   0.877
  114   1HB   LYS  12          2HB       LYS  12   8.519  -1.135   2.773
  115   2HB   LYS  12          1HB       LYS  12   9.964  -0.979   1.786
  116   1HG   LYS  12          2HG       LYS  12   9.056   1.083   3.783
  117   2HG   LYS  12          1HG       LYS  12  10.209  -0.205   4.136
  118   1HD   LYS  12          2HD       LYS  12  10.546   1.938   2.036
  119   2HD   LYS  12          1HD       LYS  12  11.352   1.893   3.606
  120   1HE   LYS  12          2HE       LYS  12  11.693  -0.003   1.294
  121   2HE   LYS  12          1HE       LYS  12  12.901   1.075   1.994
  122   1HZ   LYS  12          1HZ       LYS  12  11.906  -1.495   2.981
  123   2HZ   LYS  12          2HZ       LYS  12  12.361  -0.336   4.125
  124   3HZ   LYS  12          3HZ       LYS  12  13.481  -0.876   2.978
  125    H    LEU  13           H        LEU  13   9.371   2.688   1.173
  126    HA   LEU  13           HA       LEU  13   7.668   3.819   3.184
  127   1HB   LEU  13          2HB       LEU  13  10.161   4.441   2.072
  128   2HB   LEU  13          1HB       LEU  13   9.119   5.795   1.671
  129    HG   LEU  13           HG       LEU  13   8.590   5.276   4.360
  130   1HD1  LEU  13          1HD1      LEU  13  11.422   5.679   4.579
  131   2HD1  LEU  13          2HD1      LEU  13  11.082   4.145   3.778
  132   3HD1  LEU  13          3HD1      LEU  13  10.395   4.482   5.368
  133   1HD2  LEU  13          1HD2      LEU  13   8.583   7.482   3.830
  134   2HD2  LEU  13          2HD2      LEU  13   9.994   7.352   2.778
  135   3HD2  LEU  13          3HD2      LEU  13  10.199   7.381   4.530
  136    H    LEU  14           H        LEU  14   6.304   2.794   0.938
  137    HA   LEU  14           HA       LEU  14   4.879   5.205   0.081
  138   1HB   LEU  14          2HB       LEU  14   5.671   4.836  -1.997
  139   2HB   LEU  14          1HB       LEU  14   6.220   3.221  -1.599
  140    HG   LEU  14           HG       LEU  14   3.760   2.518  -1.822
  141   1HD1  LEU  14          1HD1      LEU  14   2.919   4.877  -1.801
  142   2HD1  LEU  14          2HD1      LEU  14   2.330   3.894  -3.142
  143   3HD1  LEU  14          3HD1      LEU  14   3.614   5.074  -3.410
  144   1HD2  LEU  14          1HD2      LEU  14   4.237   1.794  -3.904
  145   2HD2  LEU  14          2HD2      LEU  14   5.832   2.448  -3.534
  146   3HD2  LEU  14          3HD2      LEU  14   4.687   3.401  -4.477
  147    H    ILE  15           H        ILE  15   4.969   1.832   0.879
  148    HA   ILE  15           HA       ILE  15   2.042   1.829   1.201
  149    HB   ILE  15           HB       ILE  15   2.344   0.260  -0.475
  150   1HG1  ILE  15          2HG1      ILE  15   1.951  -1.925   0.488
  151   2HG1  ILE  15          1HG1      ILE  15   2.693  -1.434   2.006
  152   1HG2  ILE  15          1HG2      ILE  15   4.184  -1.451  -0.424
  153   2HG2  ILE  15          2HG2      ILE  15   4.874  -0.560   0.933
  154   3HG2  ILE  15          3HG2      ILE  15   4.713   0.217  -0.644
  155   1HD1  ILE  15          1HD1      ILE  15   0.492  -1.261   2.538
  156   2HD1  ILE  15          2HD1      ILE  15   0.016  -0.793   0.905
  157   3HD1  ILE  15          3HD1      ILE  15   0.802   0.381   1.965
  158    H    THR  16           H        THR  16   4.933   0.062   2.312
  159    HA   THR  16           HA       THR  16   4.100  -1.110   4.581
  160    HB   THR  16           HB       THR  16   6.661   0.304   3.923
  161    HG1  THR  16           1HG      THR  16   6.258  -2.396   4.596
  162   1HG2  THR  16          1HG2      THR  16   5.900  -0.675   6.605
  163   2HG2  THR  16          2HG2      THR  16   7.019   0.606   6.129
  164   3HG2  THR  16          3HG2      THR  16   7.508  -1.085   6.007
  165    H    ILE  17           H        ILE  17   5.827   1.881   4.938
  166    HA   ILE  17           HA       ILE  17   4.490   2.545   7.409
  167    HB   ILE  17           HB       ILE  17   6.859   2.761   7.309
  168   1HG1  ILE  17          2HG1      ILE  17   7.129   5.340   7.513
  169   2HG1  ILE  17          1HG1      ILE  17   5.382   5.384   7.288
  170   1HG2  ILE  17          1HG2      ILE  17   7.194   2.834   4.955
  171   2HG2  ILE  17          2HG2      ILE  17   7.909   4.313   5.623
  172   3HG2  ILE  17          3HG2      ILE  17   6.329   4.379   4.817
  173   1HD1  ILE  17          1HD1      ILE  17   6.476   3.553   9.350
  174   2HD1  ILE  17          2HD1      ILE  17   4.959   4.465   9.313
  175   3HD1  ILE  17          3HD1      ILE  17   6.475   5.291   9.678
  176    H    HIS  18           H        HIS  18   4.859   3.905   4.186
  177    HA   HIS  18           HA       HIS  18   3.691   6.385   4.665
  178   1HB   HIS  18          2HB       HIS  18   5.048   6.113   2.748
  179   2HB   HIS  18          1HB       HIS  18   4.103   4.734   2.183
  180    HD1  HIS  18           1HD      HIS  18   1.520   5.444   1.631
  181    HD2  HIS  18           2HD      HIS  18   4.415   8.398   1.423
  182    HE1  HIS  18           1HE      HIS  18   0.517   7.257   0.188
  183    HE2  HIS  18           2HE      HIS  18   2.328   9.007   0.016
  184    H    ASP  19           H        ASP  19   2.164   3.303   4.245
  185    HA   ASP  19           HA       ASP  19  -0.294   4.148   3.173
  186   1HB   ASP  19          2HB       ASP  19   0.316   1.811   3.258
  187   2HB   ASP  19          1HB       ASP  19   0.294   1.828   5.013
  188    H    ARG  20           H        ARG  20   0.360   3.316   6.590
  189    HA   ARG  20           HA       ARG  20  -2.008   4.543   7.539
  190   1HB   ARG  20          2HB       ARG  20  -0.578   4.522   9.767
  191   2HB   ARG  20          1HB       ARG  20  -1.222   3.034   9.086
  192   1HG   ARG  20          2HG       ARG  20   0.818   2.225   8.599
  193   2HG   ARG  20          1HG       ARG  20   1.447   3.805   8.124
  194   1HD   ARG  20          2HD       ARG  20   2.317   2.597  10.291
  195   2HD   ARG  20          1HD       ARG  20   2.086   4.345  10.256
  196    HE   ARG  20           HE       ARG  20   0.096   2.484  11.387
  197   1HH1  ARG  20          1HH1      ARG  20   1.927   5.448  11.492
  198   2HH1  ARG  20          2HH1      ARG  20   1.176   6.009  12.949
  199   1HH2  ARG  20          1HH2      ARG  20  -0.895   3.215  13.304
  200   2HH2  ARG  20          2HH2      ARG  20  -0.425   4.740  13.980
  201    H    LYS  21           H        LYS  21   0.655   5.873   6.207
  202    HA   LYS  21           HA       LYS  21   0.945   8.205   7.873
  203   1HB   LYS  21          2HB       LYS  21   2.899   7.417   6.760
  204   2HB   LYS  21          1HB       LYS  21   2.064   7.355   5.209
  205   1HG   LYS  21          2HG       LYS  21   1.802   9.942   5.652
  206   2HG   LYS  21          1HG       LYS  21   3.224   9.676   6.662
  207   1HD   LYS  21          2HD       LYS  21   3.056   8.744   3.805
  208   2HD   LYS  21          1HD       LYS  21   3.658  10.340   4.251
  209   1HE   LYS  21          2HE       LYS  21   4.803   7.653   4.972
  210   2HE   LYS  21          1HE       LYS  21   5.555   8.935   4.023
  211   1HZ   LYS  21          1HZ       LYS  21   4.880   9.134   6.909
  212   2HZ   LYS  21          2HZ       LYS  21   5.688  10.300   5.987
  213   3HZ   LYS  21          3HZ       LYS  21   6.424   8.809   6.296
  214    H    GLU  22           H        GLU  22  -0.713   7.318   4.912
  215    HA   GLU  22           HA       GLU  22  -1.579  10.082   4.515
  216   1HB   GLU  22          2HB       GLU  22  -2.631   8.957   2.399
  217   2HB   GLU  22          1HB       GLU  22  -0.905   9.289   2.462
  218   1HG   GLU  22          2HG       GLU  22  -0.341   7.083   2.642
  219   2HG   GLU  22          1HG       GLU  22  -1.872   6.641   3.407
  220    H    PHE  23           H        PHE  23  -3.681   7.726   3.234
  221    HA   PHE  23           HA       PHE  23  -5.632   8.283   5.371
  222   1HB   PHE  23          2HB       PHE  23  -5.999   8.192   2.385
  223   2HB   PHE  23          1HB       PHE  23  -7.358   8.009   3.489
  224    HD1  PHE  23           1HD      PHE  23  -6.178  10.248   1.378
  225    HD2  PHE  23           2HD      PHE  23  -6.831   9.938   5.572
  226    HE1  PHE  23           1HE      PHE  23  -6.378  12.697   1.524
  227    HE2  PHE  23           2HE      PHE  23  -7.033  12.386   5.725
  228    HZ   PHE  23           HZ       PHE  23  -6.808  13.768   3.700
  229    H    ALA  24           H        ALA  24  -4.071   6.055   5.645
  230    HA   ALA  24           HA       ALA  24  -5.071   3.718   4.460
  231   1HB   ALA  24          1HB       ALA  24  -3.041   3.356   5.445
  232   2HB   ALA  24          2HB       ALA  24  -4.124   2.657   6.650
  233   3HB   ALA  24          3HB       ALA  24  -3.454   4.272   6.895
  234    H    LYS  25           H        LYS  25  -6.557   5.802   6.626
  235    HA   LYS  25           HA       LYS  25  -7.946   4.295   8.430
  236   1HB   LYS  25          2HB       LYS  25  -9.921   5.988   7.467
  237   2HB   LYS  25          1HB       LYS  25  -8.772   6.357   8.744
  238   1HG   LYS  25          2HG       LYS  25  -7.909   6.819   5.945
  239   2HG   LYS  25          1HG       LYS  25  -9.101   7.921   6.635
  240   1HD   LYS  25          2HD       LYS  25  -6.711   7.280   8.275
  241   2HD   LYS  25          1HD       LYS  25  -6.482   8.328   6.874
  242   1HE   LYS  25          2HE       LYS  25  -7.348  10.055   7.971
  243   2HE   LYS  25          1HE       LYS  25  -8.818   9.145   8.311
  244   1HZ   LYS  25          1HZ       LYS  25  -6.688   9.826  10.060
  245   2HZ   LYS  25          2HZ       LYS  25  -6.916   8.150  10.033
  246   3HZ   LYS  25          3HZ       LYS  25  -8.205   9.172  10.427
  247    H    PHE  26           H        PHE  26  -8.937   4.928   5.073
  248    HA   PHE  26           HA       PHE  26 -10.484   2.434   5.169
  249   1HB   PHE  26          2HB       PHE  26 -11.910   3.529   3.337
  250   2HB   PHE  26          1HB       PHE  26 -12.157   4.067   4.993
  251    HD1  PHE  26           1HD      PHE  26 -11.368   6.270   5.712
  252    HD2  PHE  26           2HD      PHE  26 -11.004   4.969   1.680
  253    HE1  PHE  26           1HE      PHE  26 -10.968   8.590   5.003
  254    HE2  PHE  26           2HE      PHE  26 -10.602   7.282   0.963
  255    HZ   PHE  26           HZ       PHE  26 -10.583   9.102   2.624
  256    H    GLU  27           H        GLU  27  -7.701   3.077   4.367
  257    HA   GLU  27           HA       GLU  27  -7.751   2.564   1.508
  258   1HB   GLU  27          2HB       GLU  27  -5.912   3.780   3.285
  259   2HB   GLU  27          1HB       GLU  27  -5.118   2.374   2.579
  260   1HG   GLU  27          2HG       GLU  27  -6.572   3.757   0.574
  261   2HG   GLU  27          1HG       GLU  27  -5.532   4.892   1.429
  262    H    GLU  28           H        GLU  28  -8.694   0.686   3.579
  263    HA   GLU  28           HA       GLU  28  -7.022  -1.606   2.818
  264   1HB   GLU  28          2HB       GLU  28  -8.365  -0.934   5.423
  265   2HB   GLU  28          1HB       GLU  28  -7.982  -2.605   5.010
  266   1HG   GLU  28          2HG       GLU  28  -5.877  -0.494   4.854
  267   2HG   GLU  28          1HG       GLU  28  -6.321  -1.194   6.414
  268    H    GLU  29           H        GLU  29 -10.064  -0.096   2.921
  269    HA   GLU  29           HA       GLU  29 -11.367  -2.519   1.874
  270   1HB   GLU  29          2HB       GLU  29 -12.710  -0.273   3.379
  271   2HB   GLU  29          1HB       GLU  29 -13.445  -1.785   2.857
  272   1HG   GLU  29          2HG       GLU  29 -11.190  -1.599   4.840
  273   2HG   GLU  29          1HG       GLU  29 -12.896  -1.688   5.276
  274    H    ARG  30           H        ARG  30 -11.218   1.029   1.685
  275    HA   ARG  30           HA       ARG  30 -12.548   0.864  -0.941
  276   1HB   ARG  30          2HB       ARG  30 -13.930   2.075   0.580
  277   2HB   ARG  30          1HB       ARG  30 -12.563   3.046   1.126
  278   1HG   ARG  30          2HG       ARG  30 -13.956   4.350  -0.325
  279   2HG   ARG  30          1HG       ARG  30 -12.405   4.048  -1.109
  280   1HD   ARG  30          2HD       ARG  30 -13.878   3.627  -2.828
  281   2HD   ARG  30          1HD       ARG  30 -13.664   2.013  -2.153
  282    HE   ARG  30           HE       ARG  30 -15.885   2.008  -1.669
  283   1HH1  ARG  30          1HH1      ARG  30 -14.834   5.327  -1.877
  284   2HH1  ARG  30          2HH1      ARG  30 -16.424   5.977  -1.655
  285   1HH2  ARG  30          1HH2      ARG  30 -17.978   2.860  -1.381
  286   2HH2  ARG  30          2HH2      ARG  30 -18.209   4.576  -1.372
  287    H    ALA  31           H        ALA  31 -10.630   3.406   0.635
  288    HA   ALA  31           HA       ALA  31  -9.562   4.518  -1.623
  289   1HB   ALA  31          1HB       ALA  31  -7.626   5.211  -0.127
  290   2HB   ALA  31          2HB       ALA  31  -8.467   4.335   1.154
  291   3HB   ALA  31          3HB       ALA  31  -9.252   5.703   0.359
  292    H    ARG  32           H        ARG  32  -8.979   1.406  -0.607
  293    HA   ARG  32           HA       ARG  32  -6.293   1.275  -1.732
  294   1HB   ARG  32          2HB       ARG  32  -7.304   0.005   0.375
  295   2HB   ARG  32          1HB       ARG  32  -7.728  -1.162  -0.861
  296   1HG   ARG  32          2HG       ARG  32  -4.972  -0.119  -0.251
  297   2HG   ARG  32          1HG       ARG  32  -5.599  -1.732   0.127
  298   1HD   ARG  32          2HD       ARG  32  -5.764  -0.786  -2.682
  299   2HD   ARG  32          1HD       ARG  32  -4.170  -1.255  -2.063
  300    HE   ARG  32           HE       ARG  32  -6.497  -3.012  -2.392
  301   1HH1  ARG  32          1HH1      ARG  32  -3.136  -2.593  -1.569
  302   2HH1  ARG  32          2HH1      ARG  32  -2.776  -4.286  -1.641
  303   1HH2  ARG  32          1HH2      ARG  32  -6.033  -5.239  -2.487
  304   2HH2  ARG  32          2HH2      ARG  32  -4.422  -5.790  -2.163
  305    H    ALA  33           H        ALA  33  -9.525  -0.115  -2.205
  306    HA   ALA  33           HA       ALA  33  -8.899  -1.716  -4.389
  307   1HB   ALA  33          1HB       ALA  33 -10.956  -2.106  -3.510
  308   2HB   ALA  33          2HB       ALA  33 -11.365  -1.285  -5.019
  309   3HB   ALA  33          3HB       ALA  33 -11.418  -0.404  -3.488
  310    H    LYS  34           H        LYS  34  -8.717   1.596  -4.131
  311    HA   LYS  34           HA       LYS  34  -9.367   2.447  -6.759
  312   1HB   LYS  34          2HB       LYS  34  -7.140   3.674  -5.145
  313   2HB   LYS  34          1HB       LYS  34  -8.319   4.474  -6.183
  314   1HG   LYS  34          2HG       LYS  34  -8.893   3.200  -3.520
  315   2HG   LYS  34          1HG       LYS  34  -8.677   4.934  -3.808
  316   1HD   LYS  34          2HD       LYS  34 -10.582   4.876  -5.380
  317   2HD   LYS  34          1HD       LYS  34 -10.811   3.175  -4.985
  318   1HE   LYS  34          2HE       LYS  34 -12.177   3.853  -3.362
  319   2HE   LYS  34          1HE       LYS  34 -10.740   4.428  -2.521
  320   1HZ   LYS  34          1HZ       LYS  34 -12.132   6.115  -4.506
  321   2HZ   LYS  34          2HZ       LYS  34 -11.070   6.588  -3.278
  322   3HZ   LYS  34          3HZ       LYS  34 -12.631   6.067  -2.889
  323    H    TRP  35           H        TRP  35  -6.556   1.216  -5.151
  324    HA   TRP  35           HA       TRP  35  -4.797   1.319  -7.410
  325   1HB   TRP  35          2HB       TRP  35  -4.331  -0.442  -5.033
  326   2HB   TRP  35          1HB       TRP  35  -3.169   0.523  -5.948
  327    HD1  TRP  35           HD       TRP  35  -3.807   0.441  -2.692
  328    HE1  TRP  35           1HE      TRP  35  -4.131   2.684  -1.520
  329    HE3  TRP  35           3HE      TRP  35  -4.904   3.351  -6.751
  330    HZ2  TRP  35           2HZ      TRP  35  -4.783   5.309  -2.178
  331    HZ3  TRP  35           3HZ      TRP  35  -5.395   5.731  -6.377
  332    HH2  TRP  35           HH       TRP  35  -5.320   6.701  -4.136
  333    H    ASP  36           H        ASP  36  -6.871  -1.004  -5.833
  334    HA   ASP  36           HA       ASP  36  -6.052  -3.403  -6.876
  335   1HB   ASP  36          2HB       ASP  36  -8.314  -2.419  -5.524
  336   2HB   ASP  36          1HB       ASP  36  -8.923  -3.285  -6.934
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1  15.178  -4.554   8.258
    2   2H    MET   1          2HT       MET   1  14.197  -5.380   9.361
    3   3H    MET   1          3HT       MET   1  15.406  -4.339   9.922
    4    HA   MET   1           HA       MET   1  14.283  -2.433   9.139
    5   1HB   MET   1          2HB       MET   1  11.846  -3.281   8.161
    6   2HB   MET   1          1HB       MET   1  13.192  -2.661   7.220
    7   1HG   MET   1          2HG       MET   1  12.457  -4.675   6.223
    8   2HG   MET   1          1HG       MET   1  14.020  -4.987   6.978
    9   1HE   MET   1          1HE       MET   1  10.722  -4.341   8.402
   10   2HE   MET   1          2HE       MET   1  10.745  -5.432   9.792
   11   3HE   MET   1          3HE       MET   1   9.899  -5.901   8.318
   12    H    TRP   2           H        TRP   2  11.331  -2.534   9.406
   13    HA   TRP   2           HA       TRP   2  11.188  -3.210  12.273
   14   1HB   TRP   2          2HB       TRP   2   9.287  -1.178  11.435
   15   2HB   TRP   2          1HB       TRP   2  10.488  -1.113  12.734
   16    HD1  TRP   2           HD       TRP   2  12.654   0.349  12.224
   17    HE1  TRP   2           1HE      TRP   2  13.419   1.706  10.163
   18    HE3  TRP   2           3HE      TRP   2   9.153  -1.232   8.934
   19    HZ2  TRP   2           2HZ      TRP   2  12.595   2.025   7.453
   20    HZ3  TRP   2           3HZ      TRP   2   9.180  -0.396   6.643
   21    HH2  TRP   2           HH       TRP   2  10.874   1.200   5.906
   22    H    LYS   3           H        LYS   3   8.763  -2.215   9.866
   23    HA   LYS   3           HA       LYS   3   7.235  -4.639  10.515
   24   1HB   LYS   3          2HB       LYS   3   5.194  -3.322  10.166
   25   2HB   LYS   3          1HB       LYS   3   6.172  -2.688  11.479
   26   1HG   LYS   3          2HG       LYS   3   6.313  -1.572   8.692
   27   2HG   LYS   3          1HG       LYS   3   5.128  -1.015   9.879
   28   1HD   LYS   3          2HD       LYS   3   7.000  -0.476  11.412
   29   2HD   LYS   3          1HD       LYS   3   8.116  -0.940  10.124
   30   1HE   LYS   3          2HE       LYS   3   7.608   0.874   8.827
   31   2HE   LYS   3          1HE       LYS   3   6.014   1.087   9.552
   32   1HZ   LYS   3          1HZ       LYS   3   7.892   2.736  10.128
   33   2HZ   LYS   3          2HZ       LYS   3   8.442   1.517  11.165
   34   3HZ   LYS   3          3HZ       LYS   3   6.895   2.170  11.373
   35    H    VAL   4           H        VAL   4   8.349  -2.535   8.013
   36    HA   VAL   4           HA       VAL   4   6.870  -2.950   5.830
   37    HB   VAL   4           HB       VAL   4   8.787  -1.709   5.492
   38   1HG1  VAL   4          1HG1      VAL   4   9.949  -3.134   7.366
   39   2HG1  VAL   4          2HG1      VAL   4  10.897  -2.216   6.196
   40   3HG1  VAL   4          3HG1      VAL   4  10.665  -3.952   5.979
   41   1HG2  VAL   4          1HG2      VAL   4   8.219  -3.260   3.582
   42   2HG2  VAL   4          2HG2      VAL   4   9.552  -4.277   4.137
   43   3HG2  VAL   4          3HG2      VAL   4   9.868  -2.629   3.598
   44    H    GLY   5           H        GLY   5   9.161  -5.329   7.101
   45   1HA   GLY   5          2HA       GLY   5   9.308  -7.258   5.289
   46   2HA   GLY   5          1HA       GLY   5   8.984  -7.656   6.972
   47    H    PHE   6           H        PHE   6   6.441  -6.632   7.237
   48    HA   PHE   6           HA       PHE   6   4.923  -8.237   5.363
   49   1HB   PHE   6          2HB       PHE   6   3.733  -7.711   7.918
   50   2HB   PHE   6          1HB       PHE   6   3.753  -9.208   7.014
   51    HD1  PHE   6           1HD      PHE   6   5.960 -10.534   7.037
   52    HD2  PHE   6           2HD      PHE   6   5.031  -7.459   9.830
   53    HE1  PHE   6           1HE      PHE   6   7.647 -11.435   8.585
   54    HE2  PHE   6           2HE      PHE   6   6.717  -8.354  11.382
   55    HZ   PHE   6           HZ       PHE   6   8.028 -10.345  10.760
   56    H    PHE   7           H        PHE   7   5.564  -5.182   6.502
   57    HA   PHE   7           HA       PHE   7   2.906  -4.146   6.307
   58   1HB   PHE   7          2HB       PHE   7   5.480  -3.201   7.171
   59   2HB   PHE   7          1HB       PHE   7   4.687  -2.007   6.144
   60    HD1  PHE   7           1HD      PHE   7   3.407  -4.412   8.675
   61    HD2  PHE   7           2HD      PHE   7   3.789  -0.368   7.442
   62    HE1  PHE   7           1HE      PHE   7   2.001  -3.710  10.574
   63    HE2  PHE   7           2HE      PHE   7   2.387   0.352   9.332
   64    HZ   PHE   7           HZ       PHE   7   1.489  -1.321  10.903
   65    H    LYS   8           H        LYS   8   5.786  -3.986   4.324
   66    HA   LYS   8           HA       LYS   8   5.038  -2.297   2.317
   67   1HB   LYS   8          2HB       LYS   8   6.559  -3.538   0.907
   68   2HB   LYS   8          1HB       LYS   8   7.197  -3.564   2.552
   69   1HG   LYS   8          2HG       LYS   8   5.655  -5.760   2.593
   70   2HG   LYS   8          1HG       LYS   8   6.161  -5.755   0.900
   71   1HD   LYS   8          2HD       LYS   8   8.139  -5.371   3.099
   72   2HD   LYS   8          1HD       LYS   8   7.602  -6.991   2.643
   73   1HE   LYS   8          2HE       LYS   8   8.082  -5.955   0.214
   74   2HE   LYS   8          1HE       LYS   8   9.300  -5.091   1.162
   75   1HZ   LYS   8          1HZ       LYS   8  10.544  -6.912   1.240
   76   2HZ   LYS   8          2HZ       LYS   8   9.464  -7.672   0.184
   77   3HZ   LYS   8          3HZ       LYS   8   9.270  -7.838   1.856
   78    H    ARG   9           H        ARG   9   4.025  -5.582   2.969
   79    HA   ARG   9           HA       ARG   9   2.466  -5.738   0.518
   80   1HB   ARG   9          2HB       ARG   9   2.531  -7.877   2.619
   81   2HB   ARG   9          1HB       ARG   9   2.294  -8.042   0.886
   82   1HG   ARG   9          2HG       ARG   9   4.428  -8.598   0.716
   83   2HG   ARG   9          1HG       ARG   9   4.852  -6.955   1.200
   84   1HD   ARG   9          2HD       ARG   9   5.948  -8.072   2.844
   85   2HD   ARG   9          1HD       ARG   9   4.365  -7.969   3.614
   86    HE   ARG   9           HE       ARG   9   5.598 -10.344   2.450
   87   1HH1  ARG   9          1HH1      ARG   9   2.828  -8.867   3.963
   88   2HH1  ARG   9          2HH1      ARG   9   2.109 -10.377   4.414
   89   1HH2  ARG   9          1HH2      ARG   9   4.658 -12.334   3.037
   90   2HH2  ARG   9          2HH2      ARG   9   3.150 -12.348   3.889
   91    H    ASN  10           H        ASN  10   1.965  -6.408   3.969
   92    HA   ASN  10           HA       ASN  10  -0.827  -6.408   3.900
   93   1HB   ASN  10          2HB       ASN  10   0.892  -7.248   5.687
   94   2HB   ASN  10          1HB       ASN  10   0.543  -5.681   6.396
   95   1HD2  ASN  10          1HD2      ASN  10  -1.917  -7.205   4.544
   96   2HD2  ASN  10          2HD2      ASN  10  -2.911  -7.698   5.866
   97    H    ARG  11           H        ARG  11   0.662  -4.219   6.120
   98    HA   ARG  11           HA       ARG  11  -1.288  -2.207   5.635
   99   1HB   ARG  11          2HB       ARG  11   0.957  -2.661   7.471
  100   2HB   ARG  11          1HB       ARG  11   0.540  -0.977   7.174
  101   1HG   ARG  11          2HG       ARG  11  -0.670  -1.631   9.089
  102   2HG   ARG  11          1HG       ARG  11  -1.833  -1.583   7.763
  103   1HD   ARG  11          2HD       ARG  11  -2.050  -3.577   9.247
  104   2HD   ARG  11          1HD       ARG  11  -1.792  -3.963   7.545
  105    HE   ARG  11           HE       ARG  11   0.642  -4.231   8.269
  106   1HH1  ARG  11          1HH1      ARG  11  -2.090  -4.913  10.323
  107   2HH1  ARG  11          2HH1      ARG  11  -1.246  -6.095  11.267
  108   1HH2  ARG  11          1HH2      ARG  11   1.758  -5.780   9.505
  109   2HH2  ARG  11          2HH2      ARG  11   0.943  -6.588  10.802
  110   1H    LYS  12          1HT       LYS  12  10.540   0.119   0.633
  111   2H    LYS  12          2HT       LYS  12  10.020   1.728   0.591
  112   3H    LYS  12          3HT       LYS  12   9.301   0.580  -0.424
  113    HA   LYS  12           HA       LYS  12   7.920  -0.165   1.132
  114   1HB   LYS  12          2HB       LYS  12   8.647  -0.986   3.176
  115   2HB   LYS  12          1HB       LYS  12  10.150  -0.979   2.265
  116   1HG   LYS  12          2HG       LYS  12   9.280   1.196   4.157
  117   2HG   LYS  12          1HG       LYS  12  10.381  -0.123   4.562
  118   1HD   LYS  12          2HD       LYS  12  10.859   1.868   2.348
  119   2HD   LYS  12          1HD       LYS  12  11.540   1.999   3.971
  120   1HE   LYS  12          2HE       LYS  12  11.987  -0.265   2.033
  121   2HE   LYS  12          1HE       LYS  12  13.138   1.018   2.402
  122   1HZ   LYS  12          1HZ       LYS  12  13.623   0.132   4.424
  123   2HZ   LYS  12          2HZ       LYS  12  13.233  -1.298   3.609
  124   3HZ   LYS  12          3HZ       LYS  12  12.097  -0.570   4.630
  125    H    LEU  13           H        LEU  13   9.721   2.769   1.638
  126    HA   LEU  13           HA       LEU  13   7.842   3.902   3.475
  127   1HB   LEU  13          2HB       LEU  13  10.421   4.534   2.600
  128   2HB   LEU  13          1HB       LEU  13   9.416   5.875   2.075
  129    HG   LEU  13           HG       LEU  13   8.607   5.451   4.689
  130   1HD1  LEU  13          1HD1      LEU  13  10.337   4.915   6.036
  131   2HD1  LEU  13          2HD1      LEU  13  11.543   5.616   4.955
  132   3HD1  LEU  13          3HD1      LEU  13  10.866   4.024   4.609
  133   1HD2  LEU  13          1HD2      LEU  13   8.786   7.646   4.348
  134   2HD2  LEU  13          2HD2      LEU  13  10.055   7.444   3.140
  135   3HD2  LEU  13          3HD2      LEU  13  10.466   7.467   4.856
  136    H    LEU  14           H        LEU  14   6.689   2.878   1.096
  137    HA   LEU  14           HA       LEU  14   5.327   5.288   0.147
  138   1HB   LEU  14          2HB       LEU  14   6.339   4.975  -1.843
  139   2HB   LEU  14          1HB       LEU  14   6.841   3.345  -1.437
  140    HG   LEU  14           HG       LEU  14   4.434   2.644  -1.932
  141   1HD1  LEU  14          1HD1      LEU  14   3.911   5.284  -2.003
  142   2HD1  LEU  14          2HD1      LEU  14   2.945   4.072  -2.845
  143   3HD1  LEU  14          3HD1      LEU  14   4.184   4.974  -3.718
  144   1HD2  LEU  14          1HD2      LEU  14   4.857   2.691  -4.407
  145   2HD2  LEU  14          2HD2      LEU  14   6.167   2.026  -3.430
  146   3HD2  LEU  14          3HD2      LEU  14   6.288   3.664  -4.070
  147    H    ILE  15           H        ILE  15   5.360   1.859   0.785
  148    HA   ILE  15           HA       ILE  15   2.416   1.862   0.844
  149    HB   ILE  15           HB       ILE  15   2.989   0.431  -0.928
  150   1HG1  ILE  15          2HG1      ILE  15   2.183  -1.701  -0.261
  151   2HG1  ILE  15          1HG1      ILE  15   2.810  -1.508   1.371
  152   1HG2  ILE  15          1HG2      ILE  15   4.680  -1.560  -0.034
  153   2HG2  ILE  15          2HG2      ILE  15   5.355  -0.091   0.671
  154   3HG2  ILE  15          3HG2      ILE  15   5.122  -0.204  -1.073
  155   1HD1  ILE  15          1HD1      ILE  15   0.636  -1.107   1.777
  156   2HD1  ILE  15          2HD1      ILE  15   0.326  -0.483   0.155
  157   3HD1  ILE  15          3HD1      ILE  15   1.126   0.536   1.356
  158    H    THR  16           H        THR  16   5.303   0.298   2.221
  159    HA   THR  16           HA       THR  16   4.204  -1.091   4.306
  160    HB   THR  16           HB       THR  16   6.802   0.362   3.972
  161    HG1  THR  16           1HG      THR  16   6.367  -2.351   4.562
  162   1HG2  THR  16          1HG2      THR  16   7.464  -1.011   6.111
  163   2HG2  THR  16          2HG2      THR  16   5.781  -0.706   6.540
  164   3HG2  THR  16          3HG2      THR  16   6.870   0.644   6.220
  165    H    ILE  17           H        ILE  17   5.835   1.913   4.940
  166    HA   ILE  17           HA       ILE  17   4.199   2.480   7.258
  167    HB   ILE  17           HB       ILE  17   6.557   2.688   7.497
  168   1HG1  ILE  17          2HG1      ILE  17   6.816   5.242   7.836
  169   2HG1  ILE  17          1HG1      ILE  17   5.133   5.340   7.326
  170   1HG2  ILE  17          1HG2      ILE  17   7.195   2.821   5.201
  171   2HG2  ILE  17          2HG2      ILE  17   7.852   4.250   6.021
  172   3HG2  ILE  17          3HG2      ILE  17   6.399   4.398   5.014
  173   1HD1  ILE  17          1HD1      ILE  17   5.914   3.480   9.524
  174   2HD1  ILE  17          2HD1      ILE  17   4.364   4.268   9.204
  175   3HD1  ILE  17          3HD1      ILE  17   5.714   5.207   9.843
  176    H    HIS  18           H        HIS  18   5.046   4.000   4.191
  177    HA   HIS  18           HA       HIS  18   3.843   6.454   4.558
  178   1HB   HIS  18          2HB       HIS  18   5.334   6.190   2.749
  179   2HB   HIS  18          1HB       HIS  18   4.438   4.810   2.113
  180    HD1  HIS  18           1HD      HIS  18   1.879   5.545   1.416
  181    HD2  HIS  18           2HD      HIS  18   4.830   8.445   1.327
  182    HE1  HIS  18           1HE      HIS  18   0.991   7.347  -0.113
  183    HE2  HIS  18           2HE      HIS  18   2.741   9.163  -0.024
  184    H    ASP  19           H        ASP  19   2.345   3.393   3.961
  185    HA   ASP  19           HA       ASP  19  -0.060   4.342   2.806
  186   1HB   ASP  19          2HB       ASP  19   0.539   2.008   2.665
  187   2HB   ASP  19          1HB       ASP  19   0.497   1.845   4.414
  188    H    ARG  20           H        ARG  20   0.590   3.266   6.150
  189    HA   ARG  20           HA       ARG  20  -1.832   4.310   7.187
  190   1HB   ARG  20          2HB       ARG  20  -0.026   4.294   9.313
  191   2HB   ARG  20          1HB       ARG  20  -1.155   3.018   8.887
  192   1HG   ARG  20          2HG       ARG  20   0.567   1.665   8.582
  193   2HG   ARG  20          1HG       ARG  20   1.081   2.669   7.226
  194   1HD   ARG  20          2HD       ARG  20   2.697   2.208   9.239
  195   2HD   ARG  20          1HD       ARG  20   2.643   3.795   8.472
  196    HE   ARG  20           HE       ARG  20   1.661   4.666  10.378
  197   1HH1  ARG  20          1HH1      ARG  20   1.893   1.197  10.606
  198   2HH1  ARG  20          2HH1      ARG  20   1.519   1.154  12.297
  199   1HH2  ARG  20          1HH2      ARG  20   1.168   4.621  12.602
  200   2HH2  ARG  20          2HH2      ARG  20   1.107   3.102  13.432
  201    H    LYS  21           H        LYS  21   0.844   5.800   5.997
  202    HA   LYS  21           HA       LYS  21   1.027   8.054   7.760
  203   1HB   LYS  21          2HB       LYS  21   2.993   7.447   6.575
  204   2HB   LYS  21          1HB       LYS  21   2.132   7.403   5.038
  205   1HG   LYS  21          2HG       LYS  21   1.723   9.939   5.581
  206   2HG   LYS  21          1HG       LYS  21   3.163   9.728   6.579
  207   1HD   LYS  21          2HD       LYS  21   3.732   8.481   4.134
  208   2HD   LYS  21          1HD       LYS  21   2.946  10.007   3.724
  209   1HE   LYS  21          2HE       LYS  21   4.881  10.316   5.859
  210   2HE   LYS  21          1HE       LYS  21   5.609   9.643   4.402
  211   1HZ   LYS  21          1HZ       LYS  21   3.892  12.054   4.352
  212   2HZ   LYS  21          2HZ       LYS  21   4.938  11.496   3.147
  213   3HZ   LYS  21          3HZ       LYS  21   5.567  12.138   4.580
  214    H    GLU  22           H        GLU  22  -0.478   7.374   4.632
  215    HA   GLU  22           HA       GLU  22  -1.494  10.083   4.445
  216   1HB   GLU  22          2HB       GLU  22  -2.572   9.119   2.315
  217   2HB   GLU  22          1HB       GLU  22  -0.822   9.286   2.359
  218   1HG   GLU  22          2HG       GLU  22  -0.468   7.046   2.362
  219   2HG   GLU  22          1HG       GLU  22  -1.963   6.697   3.234
  220    H    PHE  23           H        PHE  23  -3.643   7.790   3.156
  221    HA   PHE  23           HA       PHE  23  -5.490   8.194   5.415
  222   1HB   PHE  23          2HB       PHE  23  -5.912   8.439   2.465
  223   2HB   PHE  23          1HB       PHE  23  -7.254   7.918   3.476
  224    HD1  PHE  23           1HD      PHE  23  -8.378   9.441   4.925
  225    HD2  PHE  23           2HD      PHE  23  -4.927  10.671   2.758
  226    HE1  PHE  23           1HE      PHE  23  -8.869  11.787   5.481
  227    HE2  PHE  23           2HE      PHE  23  -5.412  13.018   3.311
  228    HZ   PHE  23           HZ       PHE  23  -7.385  13.579   4.676
  229    H    ALA  24           H        ALA  24  -3.874   5.980   5.435
  230    HA   ALA  24           HA       ALA  24  -4.951   3.712   4.155
  231   1HB   ALA  24          1HB       ALA  24  -2.960   3.034   4.858
  232   2HB   ALA  24          2HB       ALA  24  -3.741   2.724   6.409
  233   3HB   ALA  24          3HB       ALA  24  -2.900   4.250   6.135
  234    H    LYS  25           H        LYS  25  -6.344   5.596   6.486
  235    HA   LYS  25           HA       LYS  25  -7.408   3.961   8.405
  236   1HB   LYS  25          2HB       LYS  25  -9.585   5.505   7.796
  237   2HB   LYS  25          1HB       LYS  25  -8.250   6.007   8.824
  238   1HG   LYS  25          2HG       LYS  25  -7.805   6.444   5.962
  239   2HG   LYS  25          1HG       LYS  25  -9.142   7.366   6.651
  240   1HD   LYS  25          2HD       LYS  25  -6.610   7.305   8.189
  241   2HD   LYS  25          1HD       LYS  25  -6.616   8.234   6.688
  242   1HE   LYS  25          2HE       LYS  25  -7.262   9.804   8.268
  243   2HE   LYS  25          1HE       LYS  25  -8.802   9.259   7.606
  244   1HZ   LYS  25          1HZ       LYS  25  -8.337   9.395  10.194
  245   2HZ   LYS  25          2HZ       LYS  25  -7.783   7.818   9.925
  246   3HZ   LYS  25          3HZ       LYS  25  -9.372   8.236   9.522
  247    H    PHE  26           H        PHE  26  -8.792   4.547   5.177
  248    HA   PHE  26           HA       PHE  26 -10.198   1.978   5.422
  249   1HB   PHE  26          2HB       PHE  26 -11.559   3.455   3.476
  250   2HB   PHE  26          1HB       PHE  26 -12.124   3.068   5.097
  251    HD1  PHE  26           1HD      PHE  26 -12.746   4.795   6.472
  252    HD2  PHE  26           2HD      PHE  26  -9.964   5.546   3.346
  253    HE1  PHE  26           1HE      PHE  26 -12.770   7.188   7.030
  254    HE2  PHE  26           2HE      PHE  26  -9.976   7.936   3.896
  255    HZ   PHE  26           HZ       PHE  26 -11.383   8.768   5.742
  256    H    GLU  27           H        GLU  27  -7.602   3.161   4.126
  257    HA   GLU  27           HA       GLU  27  -7.937   2.543   1.353
  258   1HB   GLU  27          2HB       GLU  27  -5.796   3.509   3.093
  259   2HB   GLU  27          1HB       GLU  27  -5.237   2.486   1.775
  260   1HG   GLU  27          2HG       GLU  27  -7.067   4.196   0.593
  261   2HG   GLU  27          1HG       GLU  27  -6.180   5.207   1.737
  262    H    GLU  28           H        GLU  28  -8.242   0.570   3.748
  263    HA   GLU  28           HA       GLU  28  -6.826  -1.653   2.438
  264   1HB   GLU  28          2HB       GLU  28  -7.480  -1.267   5.369
  265   2HB   GLU  28          1HB       GLU  28  -6.885  -2.775   4.685
  266   1HG   GLU  28          2HG       GLU  28  -5.318  -0.303   4.194
  267   2HG   GLU  28          1HG       GLU  28  -5.271  -1.016   5.806
  268    H    GLU  29           H        GLU  29  -9.662  -0.151   2.949
  269    HA   GLU  29           HA       GLU  29 -11.241  -2.624   2.728
  270   1HB   GLU  29          2HB       GLU  29 -12.325  -0.014   3.772
  271   2HB   GLU  29          1HB       GLU  29 -13.006  -1.627   3.942
  272   1HG   GLU  29          2HG       GLU  29 -10.513  -0.600   5.282
  273   2HG   GLU  29          1HG       GLU  29 -12.086  -0.838   6.040
  274    H    ARG  30           H        ARG  30 -11.801   0.853   2.155
  275    HA   ARG  30           HA       ARG  30 -12.735   0.168  -0.556
  276   1HB   ARG  30          2HB       ARG  30 -14.715   0.996   0.040
  277   2HB   ARG  30          1HB       ARG  30 -14.083   1.503   1.600
  278   1HG   ARG  30          2HG       ARG  30 -13.092   3.479   0.125
  279   2HG   ARG  30          1HG       ARG  30 -14.478   3.056  -0.887
  280   1HD   ARG  30          2HD       ARG  30 -14.475   3.924   1.992
  281   2HD   ARG  30          1HD       ARG  30 -15.201   4.749   0.616
  282    HE   ARG  30           HE       ARG  30 -16.195   2.202   1.726
  283   1HH1  ARG  30          1HH1      ARG  30 -16.714   5.290   0.192
  284   2HH1  ARG  30          2HH1      ARG  30 -18.437   5.117   0.136
  285   1HH2  ARG  30          1HH2      ARG  30 -18.464   1.970   1.656
  286   2HH2  ARG  30          2HH2      ARG  30 -19.430   3.232   0.969
  287    H    ALA  31           H        ALA  31 -11.234   2.699   1.429
  288    HA   ALA  31           HA       ALA  31 -10.756   4.591  -0.529
  289   1HB   ALA  31          1HB       ALA  31  -9.479   5.670   0.980
  290   2HB   ALA  31          2HB       ALA  31  -8.627   4.210   1.475
  291   3HB   ALA  31          3HB       ALA  31 -10.259   4.526   2.073
  292    H    ARG  32           H        ARG  32  -9.662   1.512  -0.733
  293    HA   ARG  32           HA       ARG  32  -7.148   2.287  -2.038
  294   1HB   ARG  32          2HB       ARG  32  -7.485   0.326  -0.279
  295   2HB   ARG  32          1HB       ARG  32  -7.895  -0.567  -1.727
  296   1HG   ARG  32          2HG       ARG  32  -5.319   0.876  -1.148
  297   2HG   ARG  32          1HG       ARG  32  -5.565  -0.874  -1.255
  298   1HD   ARG  32          2HD       ARG  32  -6.381   0.783  -3.576
  299   2HD   ARG  32          1HD       ARG  32  -4.643   0.562  -3.301
  300    HE   ARG  32           HE       ARG  32  -6.528  -1.421  -4.205
  301   1HH1  ARG  32          1HH1      ARG  32  -3.450  -0.882  -2.662
  302   2HH1  ARG  32          2HH1      ARG  32  -2.824  -2.442  -3.080
  303   1HH2  ARG  32          1HH2      ARG  32  -5.709  -3.476  -4.760
  304   2HH2  ARG  32          2HH2      ARG  32  -4.107  -3.916  -4.272
  305    H    ALA  33           H        ALA  33 -10.035   0.285  -2.522
  306    HA   ALA  33           HA       ALA  33  -9.507  -0.413  -5.167
  307   1HB   ALA  33          1HB       ALA  33 -11.205  -1.583  -4.159
  308   2HB   ALA  33          2HB       ALA  33 -12.058  -0.577  -5.333
  309   3HB   ALA  33          3HB       ALA  33 -12.052  -0.132  -3.623
  310    H    LYS  34           H        LYS  34 -10.082   2.576  -3.812
  311    HA   LYS  34           HA       LYS  34 -11.422   3.997  -5.838
  312   1HB   LYS  34          2HB       LYS  34  -9.137   5.151  -4.229
  313   2HB   LYS  34          1HB       LYS  34 -10.620   5.948  -4.759
  314   1HG   LYS  34          2HG       LYS  34 -10.403   3.817  -2.648
  315   2HG   LYS  34          1HG       LYS  34 -10.580   5.554  -2.355
  316   1HD   LYS  34          2HD       LYS  34 -12.567   4.061  -4.018
  317   2HD   LYS  34          1HD       LYS  34 -12.683   4.055  -2.259
  318   1HE   LYS  34          2HE       LYS  34 -13.369   6.200  -2.171
  319   2HE   LYS  34          1HE       LYS  34 -12.296   6.703  -3.477
  320   1HZ   LYS  34          1HZ       LYS  34 -13.982   5.333  -4.905
  321   2HZ   LYS  34          2HZ       LYS  34 -14.324   6.931  -4.469
  322   3HZ   LYS  34          3HZ       LYS  34 -15.031   5.653  -3.615
  323    H    TRP  35           H        TRP  35  -8.142   3.099  -5.228
  324    HA   TRP  35           HA       TRP  35  -6.990   4.331  -7.544
  325   1HB   TRP  35          2HB       TRP  35  -5.699   2.117  -5.980
  326   2HB   TRP  35          1HB       TRP  35  -4.951   3.545  -6.708
  327    HD1  TRP  35           HD       TRP  35  -4.863   2.399  -3.590
  328    HE1  TRP  35           1HE      TRP  35  -5.314   4.084  -1.729
  329    HE3  TRP  35           3HE      TRP  35  -7.277   6.002  -6.296
  330    HZ2  TRP  35           2HZ      TRP  35  -6.530   6.572  -1.411
  331    HZ3  TRP  35           3HZ      TRP  35  -8.073   8.012  -5.118
  332    HH2  TRP  35           HH       TRP  35  -7.699   8.297  -2.720
  333    H    ASP  36           H        ASP  36  -8.152   1.180  -6.587
  334    HA   ASP  36           HA       ASP  36  -7.132  -0.477  -8.525
  335   1HB   ASP  36          2HB       ASP  36  -9.202  -0.569  -6.591
  336   2HB   ASP  36          1HB       ASP  36  -9.869  -1.180  -8.106
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1  13.451  -6.405   9.564
    2   2H    MET   1          2HT       MET   1  14.672  -5.498  10.305
    3   3H    MET   1          3HT       MET   1  14.568  -5.555   8.619
    4    HA   MET   1           HA       MET   1  13.726  -3.464   9.654
    5   1HB   MET   1          2HB       MET   1  11.363  -4.050   8.344
    6   2HB   MET   1          1HB       MET   1  12.828  -3.403   7.625
    7   1HG   MET   1          2HG       MET   1  12.121  -5.247   6.324
    8   2HG   MET   1          1HG       MET   1  13.577  -5.729   7.197
    9   1HE   MET   1          1HE       MET   1  10.177  -5.068   8.360
   10   2HE   MET   1          2HE       MET   1   9.999  -6.326   9.588
   11   3HE   MET   1          3HE       MET   1   9.298  -6.554   7.987
   12    H    TRP   2           H        TRP   2  10.754  -3.403   9.592
   13    HA   TRP   2           HA       TRP   2  10.262  -4.372  12.334
   14   1HB   TRP   2          2HB       TRP   2   8.565  -2.149  11.549
   15   2HB   TRP   2          1HB       TRP   2   9.624  -2.303  12.963
   16    HD1  TRP   2           HD       TRP   2  11.859  -0.873  12.865
   17    HE1  TRP   2           1HE      TRP   2  12.900   0.659  11.060
   18    HE3  TRP   2           3HE      TRP   2   8.738  -1.978   9.045
   19    HZ2  TRP   2           2HZ      TRP   2  12.404   1.287   8.323
   20    HZ3  TRP   2           3HZ      TRP   2   9.051  -0.910   6.874
   21    HH2  TRP   2           HH       TRP   2  10.860   0.690   6.512
   22    H    LYS   3           H        LYS   3   8.156  -2.965   9.827
   23    HA   LYS   3           HA       LYS   3   6.462  -5.344  10.044
   24   1HB   LYS   3          2HB       LYS   3   4.520  -3.887   9.656
   25   2HB   LYS   3          1HB       LYS   3   5.374  -3.505  11.140
   26   1HG   LYS   3          2HG       LYS   3   5.764  -2.010   8.557
   27   2HG   LYS   3          1HG       LYS   3   4.604  -1.539   9.803
   28   1HD   LYS   3          2HD       LYS   3   6.425  -1.338  11.415
   29   2HD   LYS   3          1HD       LYS   3   7.564  -1.833  10.155
   30   1HE   LYS   3          2HE       LYS   3   7.513   0.176   9.125
   31   2HE   LYS   3          1HE       LYS   3   5.813   0.450   9.503
   32   1HZ   LYS   3          1HZ       LYS   3   7.982   0.639  11.517
   33   2HZ   LYS   3          2HZ       LYS   3   6.373   1.129  11.690
   34   3HZ   LYS   3          3HZ       LYS   3   7.406   1.969  10.646
   35    H    VAL   4           H        VAL   4   7.941  -3.093   7.925
   36    HA   VAL   4           HA       VAL   4   6.684  -3.137   5.568
   37    HB   VAL   4           HB       VAL   4   8.714  -2.022   5.639
   38   1HG1  VAL   4          1HG1      VAL   4  10.394  -4.435   5.915
   39   2HG1  VAL   4          2HG1      VAL   4   9.529  -3.885   7.350
   40   3HG1  VAL   4          3HG1      VAL   4  10.651  -2.799   6.526
   41   1HG2  VAL   4          1HG2      VAL   4  10.119  -3.062   3.852
   42   2HG2  VAL   4          2HG2      VAL   4   8.412  -2.892   3.437
   43   3HG2  VAL   4          3HG2      VAL   4   9.052  -4.465   3.921
   44    H    GLY   5           H        GLY   5   8.606  -5.833   6.813
   45   1HA   GLY   5          2HA       GLY   5   8.902  -7.552   4.836
   46   2HA   GLY   5          1HA       GLY   5   8.248  -8.109   6.369
   47    H    PHE   6           H        PHE   6   5.802  -6.958   6.377
   48    HA   PHE   6           HA       PHE   6   4.532  -8.053   4.012
   49   1HB   PHE   6          2HB       PHE   6   3.029  -7.957   6.480
   50   2HB   PHE   6          1HB       PHE   6   2.982  -9.170   5.221
   51    HD1  PHE   6           1HD      PHE   6   4.441  -8.172   8.389
   52    HD2  PHE   6           2HD      PHE   6   4.668 -10.964   5.184
   53    HE1  PHE   6           1HE      PHE   6   5.820  -9.657   9.785
   54    HE2  PHE   6           2HE      PHE   6   6.046 -12.455   6.575
   55    HZ   PHE   6           HZ       PHE   6   6.624 -11.802   8.879
   56    H    PHE   7           H        PHE   7   5.189  -5.301   5.715
   57    HA   PHE   7           HA       PHE   7   2.603  -4.090   5.359
   58   1HB   PHE   7          2HB       PHE   7   5.148  -3.344   6.647
   59   2HB   PHE   7          1HB       PHE   7   4.172  -2.008   6.022
   60    HD1  PHE   7           1HD      PHE   7   3.030  -1.011   7.735
   61    HD2  PHE   7           2HD      PHE   7   3.326  -5.249   7.635
   62    HE1  PHE   7           1HE      PHE   7   1.558  -1.156   9.698
   63    HE2  PHE   7           2HE      PHE   7   1.850  -5.405   9.598
   64    HZ   PHE   7           HZ       PHE   7   0.959  -3.353  10.626
   65    H    LYS   8           H        LYS   8   5.690  -3.993   3.761
   66    HA   LYS   8           HA       LYS   8   5.300  -1.801   2.088
   67   1HB   LYS   8          2HB       LYS   8   7.026  -2.779   0.708
   68   2HB   LYS   8          1HB       LYS   8   7.414  -3.118   2.394
   69   1HG   LYS   8          2HG       LYS   8   5.948  -5.283   1.805
   70   2HG   LYS   8          1HG       LYS   8   6.668  -4.953   0.225
   71   1HD   LYS   8          2HD       LYS   8   8.873  -4.748   1.609
   72   2HD   LYS   8          1HD       LYS   8   7.969  -5.685   2.810
   73   1HE   LYS   8          2HE       LYS   8   7.439  -7.017   0.470
   74   2HE   LYS   8          1HE       LYS   8   9.112  -6.507   0.242
   75   1HZ   LYS   8          1HZ       LYS   8   9.711  -8.204   1.508
   76   2HZ   LYS   8          2HZ       LYS   8   8.103  -8.592   1.860
   77   3HZ   LYS   8          3HZ       LYS   8   8.934  -7.481   2.826
   78    H    ARG   9           H        ARG   9   3.924  -4.937   2.147
   79    HA   ARG   9           HA       ARG   9   2.762  -4.611  -0.528
   80   1HB   ARG   9          2HB       ARG   9   2.285  -7.106  -0.245
   81   2HB   ARG   9          1HB       ARG   9   3.953  -6.620  -0.512
   82   1HG   ARG   9          2HG       ARG   9   3.444  -6.645   2.296
   83   2HG   ARG   9          1HG       ARG   9   2.902  -8.173   1.594
   84   1HD   ARG   9          2HD       ARG   9   5.603  -6.967   1.040
   85   2HD   ARG   9          1HD       ARG   9   5.303  -8.084   2.372
   86    HE   ARG   9           HE       ARG   9   5.128  -8.728  -0.493
   87   1HH1  ARG   9          1HH1      ARG   9   5.266  -9.731   2.841
   88   2HH1  ARG   9          2HH1      ARG   9   5.469 -11.408   2.461
   89   1HH2  ARG   9          1HH2      ARG   9   5.396 -10.933  -1.002
   90   2HH2  ARG   9          2HH2      ARG   9   5.545 -12.091   0.277
   91    H    ASN  10           H        ASN  10   1.910  -6.102   2.590
   92    HA   ASN  10           HA       ASN  10  -0.862  -6.018   2.137
   93   1HB   ASN  10          2HB       ASN  10   0.826  -7.185   3.961
   94   2HB   ASN  10          1HB       ASN  10  -0.206  -6.135   4.922
   95   1HD2  ASN  10          1HD2      ASN  10   0.024  -9.132   4.465
   96   2HD2  ASN  10          2HD2      ASN  10  -1.602  -9.630   4.159
   97    H    ARG  11           H        ARG  11   0.280  -4.652   5.125
   98    HA   ARG  11           HA       ARG  11  -1.605  -2.576   5.148
   99   1HB   ARG  11          2HB       ARG  11   0.518  -3.541   6.844
  100   2HB   ARG  11          1HB       ARG  11   0.416  -1.788   6.843
  101   1HG   ARG  11          2HG       ARG  11  -2.152  -3.189   7.111
  102   2HG   ARG  11          1HG       ARG  11  -1.034  -3.373   8.464
  103   1HD   ARG  11          2HD       ARG  11  -2.195  -0.841   7.328
  104   2HD   ARG  11          1HD       ARG  11  -2.346  -1.474   8.967
  105    HE   ARG  11           HE       ARG  11   0.261  -0.606   7.922
  106   1HH1  ARG  11          1HH1      ARG  11  -2.317  -0.323  10.250
  107   2HH1  ARG  11          2HH1      ARG  11  -1.393   0.654  11.341
  108   1HH2  ARG  11          1HH2      ARG  11   1.490   0.649   9.355
  109   2HH2  ARG  11          2HH2      ARG  11   0.775   1.209  10.833
  110   1H    LYS  12          1HT       LYS  12  10.912   1.149   1.548
  111   2H    LYS  12          2HT       LYS  12   9.734   1.809   0.530
  112   3H    LYS  12          3HT       LYS  12  10.185   0.188   0.361
  113    HA   LYS  12           HA       LYS  12   8.191   0.027   1.481
  114   1HB   LYS  12          2HB       LYS  12   8.846  -1.083   3.390
  115   2HB   LYS  12          1HB       LYS  12  10.410  -0.905   2.608
  116   1HG   LYS  12          2HG       LYS  12   9.345   0.989   4.691
  117   2HG   LYS  12          1HG       LYS  12  10.394  -0.387   5.037
  118   1HD   LYS  12          2HD       LYS  12  11.071   1.942   3.239
  119   2HD   LYS  12          1HD       LYS  12  11.683   1.684   4.873
  120   1HE   LYS  12          2HE       LYS  12  12.164  -0.054   2.459
  121   2HE   LYS  12          1HE       LYS  12  13.343   0.979   3.268
  122   1HZ   LYS  12          1HZ       LYS  12  13.794  -0.640   4.693
  123   2HZ   LYS  12          2HZ       LYS  12  12.793  -1.676   3.806
  124   3HZ   LYS  12          3HZ       LYS  12  12.166  -0.812   5.119
  125    H    LEU  13           H        LEU  13  10.032   2.836   2.389
  126    HA   LEU  13           HA       LEU  13   8.083   3.815   4.256
  127   1HB   LEU  13          2HB       LEU  13  10.732   4.414   3.667
  128   2HB   LEU  13          1HB       LEU  13   9.847   5.845   3.172
  129    HG   LEU  13           HG       LEU  13   8.798   5.207   5.674
  130   1HD1  LEU  13          1HD1      LEU  13  10.375   3.861   6.565
  131   2HD1  LEU  13          2HD1      LEU  13  11.192   5.396   6.859
  132   3HD1  LEU  13          3HD1      LEU  13  11.632   4.417   5.460
  133   1HD2  LEU  13          1HD2      LEU  13   8.985   7.437   5.325
  134   2HD2  LEU  13          2HD2      LEU  13  10.539   7.291   4.501
  135   3HD2  LEU  13          3HD2      LEU  13  10.463   7.207   6.261
  136    H    LEU  14           H        LEU  14   7.093   3.128   1.681
  137    HA   LEU  14           HA       LEU  14   5.911   5.700   0.906
  138   1HB   LEU  14          2HB       LEU  14   6.941   5.465  -1.081
  139   2HB   LEU  14          1HB       LEU  14   7.401   3.810  -0.741
  140    HG   LEU  14           HG       LEU  14   4.905   3.283  -1.329
  141   1HD1  LEU  14          1HD1      LEU  14   4.124   5.563  -1.472
  142   2HD1  LEU  14          2HD1      LEU  14   4.033   4.807  -3.063
  143   3HD1  LEU  14          3HD1      LEU  14   5.338   5.934  -2.696
  144   1HD2  LEU  14          1HD2      LEU  14   5.541   2.993  -3.675
  145   2HD2  LEU  14          2HD2      LEU  14   6.832   2.482  -2.586
  146   3HD2  LEU  14          3HD2      LEU  14   6.944   4.032  -3.422
  147    H    ILE  15           H        ILE  15   5.681   2.274   1.387
  148    HA   ILE  15           HA       ILE  15   2.746   2.469   1.296
  149    HB   ILE  15           HB       ILE  15   3.124   1.054  -0.474
  150   1HG1  ILE  15          2HG1      ILE  15   2.591  -1.221   0.203
  151   2HG1  ILE  15          1HG1      ILE  15   3.149  -0.890   1.842
  152   1HG2  ILE  15          1HG2      ILE  15   4.930  -0.896  -0.022
  153   2HG2  ILE  15          2HG2      ILE  15   5.617   0.405   0.949
  154   3HG2  ILE  15          3HG2      ILE  15   5.321   0.652  -0.772
  155   1HD1  ILE  15          1HD1      ILE  15   0.903  -0.686   2.110
  156   2HD1  ILE  15          2HD1      ILE  15   0.650  -0.052   0.483
  157   3HD1  ILE  15          3HD1      ILE  15   1.332   0.987   1.740
  158    H    THR  16           H        THR  16   5.322   0.380   2.578
  159    HA   THR  16           HA       THR  16   4.136  -0.984   4.554
  160    HB   THR  16           HB       THR  16   6.813   0.351   4.428
  161    HG1  THR  16           1HG      THR  16   7.400  -1.528   3.747
  162   1HG2  THR  16          1HG2      THR  16   7.446  -1.143   6.396
  163   2HG2  THR  16          2HG2      THR  16   5.727  -1.115   6.793
  164   3HG2  THR  16          3HG2      THR  16   6.645   0.392   6.736
  165    H    ILE  17           H        ILE  17   5.741   2.058   5.272
  166    HA   ILE  17           HA       ILE  17   4.122   2.406   7.685
  167    HB   ILE  17           HB       ILE  17   6.480   2.464   8.014
  168   1HG1  ILE  17          2HG1      ILE  17   6.853   4.950   8.616
  169   2HG1  ILE  17          1HG1      ILE  17   5.200   5.193   8.058
  170   1HG2  ILE  17          1HG2      ILE  17   7.242   2.779   5.793
  171   2HG2  ILE  17          2HG2      ILE  17   7.880   4.135   6.740
  172   3HG2  ILE  17          3HG2      ILE  17   6.476   4.377   5.682
  173   1HD1  ILE  17          1HD1      ILE  17   5.761   3.066  10.069
  174   2HD1  ILE  17          2HD1      ILE  17   4.297   4.025   9.799
  175   3HD1  ILE  17          3HD1      ILE  17   5.701   4.760  10.574
  176    H    HIS  18           H        HIS  18   5.107   4.098   4.767
  177    HA   HIS  18           HA       HIS  18   4.009   6.592   5.309
  178   1HB   HIS  18          2HB       HIS  18   5.591   6.465   3.582
  179   2HB   HIS  18          1HB       HIS  18   4.764   5.112   2.810
  180    HD1  HIS  18           1HD      HIS  18   2.317   5.822   1.838
  181    HD2  HIS  18           2HD      HIS  18   5.146   8.818   2.298
  182    HE1  HIS  18           1HE      HIS  18   1.552   7.700   0.334
  183    HE2  HIS  18           2HE      HIS  18   3.291   9.504   0.625
  184    H    ASP  19           H        ASP  19   2.372   3.685   4.608
  185    HA   ASP  19           HA       ASP  19   0.172   4.731   3.176
  186   1HB   ASP  19          2HB       ASP  19   0.586   2.409   3.109
  187   2HB   ASP  19          1HB       ASP  19   0.462   2.243   4.851
  188    H    ARG  20           H        ARG  20   0.594   4.076   6.659
  189    HA   ARG  20           HA       ARG  20  -1.987   4.984   7.392
  190   1HB   ARG  20          2HB       ARG  20   0.031   5.482   9.436
  191   2HB   ARG  20          1HB       ARG  20  -1.368   4.420   9.483
  192   1HG   ARG  20          2HG       ARG  20  -0.124   2.612   9.142
  193   2HG   ARG  20          1HG       ARG  20   0.756   3.367   7.812
  194   1HD   ARG  20          2HD       ARG  20   2.354   2.880   9.500
  195   2HD   ARG  20          1HD       ARG  20   2.083   4.621   9.542
  196    HE   ARG  20           HE       ARG  20   1.165   2.671  11.528
  197   1HH1  ARG  20          1HH1      ARG  20   1.534   5.979  10.494
  198   2HH1  ARG  20          2HH1      ARG  20   1.181   6.640  12.055
  199   1HH2  ARG  20          1HH2      ARG  20   0.698   3.534  13.585
  200   2HH2  ARG  20          2HH2      ARG  20   0.706   5.251  13.811
  201    H    LYS  21           H        LYS  21   0.497   6.571   6.024
  202    HA   LYS  21           HA       LYS  21   0.151   9.127   7.366
  203   1HB   LYS  21          2HB       LYS  21   2.402   8.494   6.840
  204   2HB   LYS  21          1HB       LYS  21   1.958   8.126   5.171
  205   1HG   LYS  21          2HG       LYS  21   1.286  10.654   5.122
  206   2HG   LYS  21          1HG       LYS  21   2.390  10.767   6.495
  207   1HD   LYS  21          2HD       LYS  21   3.200   9.433   3.929
  208   2HD   LYS  21          1HD       LYS  21   3.344  11.178   4.146
  209   1HE   LYS  21          2HE       LYS  21   4.580  10.522   6.345
  210   2HE   LYS  21          1HE       LYS  21   4.785   8.963   5.547
  211   1HZ   LYS  21          1HZ       LYS  21   6.426   9.791   4.339
  212   2HZ   LYS  21          2HZ       LYS  21   6.324  11.237   5.210
  213   3HZ   LYS  21          3HZ       LYS  21   5.456  11.057   3.771
  214    H    GLU  22           H        GLU  22  -0.262   7.675   4.161
  215    HA   GLU  22           HA       GLU  22  -1.296  10.030   2.952
  216   1HB   GLU  22          2HB       GLU  22  -2.001   8.360   1.140
  217   2HB   GLU  22          1HB       GLU  22  -0.284   8.517   1.478
  218   1HG   GLU  22          2HG       GLU  22  -0.124   6.435   2.374
  219   2HG   GLU  22          1HG       GLU  22  -1.787   6.435   2.962
  220    H    PHE  23           H        PHE  23  -3.277   7.402   2.174
  221    HA   PHE  23           HA       PHE  23  -5.500   8.529   3.743
  222   1HB   PHE  23          2HB       PHE  23  -5.306   7.692   0.880
  223   2HB   PHE  23          1HB       PHE  23  -6.847   7.514   1.708
  224    HD1  PHE  23           1HD      PHE  23  -7.312   9.789   3.240
  225    HD2  PHE  23           2HD      PHE  23  -5.188   9.541  -0.440
  226    HE1  PHE  23           1HE      PHE  23  -7.804  12.160   2.799
  227    HE2  PHE  23           2HE      PHE  23  -5.676  11.910  -0.887
  228    HZ   PHE  23           HZ       PHE  23  -6.985  13.223   0.733
  229    H    ALA  24           H        ALA  24  -4.022   6.527   4.875
  230    HA   ALA  24           HA       ALA  24  -4.978   3.929   4.277
  231   1HB   ALA  24          1HB       ALA  24  -2.960   3.840   5.362
  232   2HB   ALA  24          2HB       ALA  24  -4.071   3.499   6.690
  233   3HB   ALA  24          3HB       ALA  24  -3.396   5.117   6.499
  234    H    LYS  25           H        LYS  25  -6.629   6.469   5.484
  235    HA   LYS  25           HA       LYS  25  -8.022   5.496   7.697
  236   1HB   LYS  25          2HB       LYS  25  -9.878   6.989   6.187
  237   2HB   LYS  25          1HB       LYS  25  -8.912   7.534   7.549
  238   1HG   LYS  25          2HG       LYS  25  -7.770   7.535   4.786
  239   2HG   LYS  25          1HG       LYS  25  -8.826   8.841   5.326
  240   1HD   LYS  25          2HD       LYS  25  -6.273   7.964   6.681
  241   2HD   LYS  25          1HD       LYS  25  -6.456   9.386   5.653
  242   1HE   LYS  25          2HE       LYS  25  -7.464  10.584   7.272
  243   2HE   LYS  25          1HE       LYS  25  -8.381   9.201   7.866
  244   1HZ   LYS  25          1HZ       LYS  25  -6.966   9.532   9.599
  245   2HZ   LYS  25          2HZ       LYS  25  -5.715  10.135   8.635
  246   3HZ   LYS  25          3HZ       LYS  25  -6.014   8.472   8.688
  247    H    PHE  26           H        PHE  26  -8.515   4.972   4.262
  248    HA   PHE  26           HA       PHE  26 -10.567   2.971   4.918
  249   1HB   PHE  26          2HB       PHE  26 -10.793   3.735   2.183
  250   2HB   PHE  26          1HB       PHE  26 -11.973   3.937   3.475
  251    HD1  PHE  26           1HD      PHE  26  -8.926   5.513   2.055
  252    HD2  PHE  26           2HD      PHE  26 -12.599   6.060   4.126
  253    HE1  PHE  26           1HE      PHE  26  -8.612   7.938   1.954
  254    HE2  PHE  26           2HE      PHE  26 -12.296   8.494   4.024
  255    HZ   PHE  26           HZ       PHE  26 -10.300   9.446   2.935
  256    H    GLU  27           H        GLU  27  -7.474   3.387   3.927
  257    HA   GLU  27           HA       GLU  27  -7.347   1.402   1.864
  258   1HB   GLU  27          2HB       GLU  27  -5.345   2.921   3.472
  259   2HB   GLU  27          1HB       GLU  27  -4.819   1.506   2.572
  260   1HG   GLU  27          2HG       GLU  27  -6.174   2.760   0.636
  261   2HG   GLU  27          1HG       GLU  27  -5.707   4.150   1.622
  262    H    GLU  28           H        GLU  28  -8.387   1.016   4.743
  263    HA   GLU  28           HA       GLU  28  -7.069  -1.569   5.213
  264   1HB   GLU  28          2HB       GLU  28  -8.426   0.156   7.298
  265   2HB   GLU  28          1HB       GLU  28  -7.512  -1.320   7.578
  266   1HG   GLU  28          2HG       GLU  28  -6.012   0.790   6.214
  267   2HG   GLU  28          1HG       GLU  28  -6.541   1.202   7.844
  268    H    GLU  29           H        GLU  29  -9.719   0.100   4.217
  269    HA   GLU  29           HA       GLU  29 -11.569  -2.106   4.818
  270   1HB   GLU  29          2HB       GLU  29 -12.254   0.813   4.396
  271   2HB   GLU  29          1HB       GLU  29 -13.393  -0.479   4.764
  272   1HG   GLU  29          2HG       GLU  29 -11.320   0.757   6.535
  273   2HG   GLU  29          1HG       GLU  29 -13.060   0.618   6.793
  274    H    ARG  30           H        ARG  30 -11.660   0.669   2.565
  275    HA   ARG  30           HA       ARG  30 -12.068  -1.264   0.381
  276   1HB   ARG  30          2HB       ARG  30 -13.694   0.088  -0.596
  277   2HB   ARG  30          1HB       ARG  30 -14.058   0.162   1.122
  278   1HG   ARG  30          2HG       ARG  30 -13.902   2.358   1.083
  279   2HG   ARG  30          1HG       ARG  30 -12.240   2.258   0.496
  280   1HD   ARG  30          2HD       ARG  30 -13.401   3.527  -1.113
  281   2HD   ARG  30          1HD       ARG  30 -13.228   1.919  -1.813
  282    HE   ARG  30           HE       ARG  30 -15.717   2.893  -0.565
  283   1HH1  ARG  30          1HH1      ARG  30 -14.011   1.095  -3.015
  284   2HH1  ARG  30          2HH1      ARG  30 -15.454   0.571  -3.818
  285   1HH2  ARG  30          1HH2      ARG  30 -17.622   2.208  -1.617
  286   2HH2  ARG  30          2HH2      ARG  30 -17.505   1.205  -3.024
  287    H    ALA  31           H        ALA  31 -10.708   1.897   1.227
  288    HA   ALA  31           HA       ALA  31  -9.730   2.651  -1.256
  289   1HB   ALA  31          1HB       ALA  31  -8.938   4.387  -0.136
  290   2HB   ALA  31          2HB       ALA  31  -7.864   3.362   0.814
  291   3HB   ALA  31          3HB       ALA  31  -9.528   3.621   1.338
  292    H    ARG  32           H        ARG  32  -8.850  -0.077   0.463
  293    HA   ARG  32           HA       ARG  32  -6.112  -0.112  -0.551
  294   1HB   ARG  32          2HB       ARG  32  -7.024  -0.997   1.765
  295   2HB   ARG  32          1HB       ARG  32  -7.311  -2.450   0.830
  296   1HG   ARG  32          2HG       ARG  32  -4.674  -1.033   1.119
  297   2HG   ARG  32          1HG       ARG  32  -5.147  -2.520   1.952
  298   1HD   ARG  32          2HD       ARG  32  -5.314  -2.372  -1.022
  299   2HD   ARG  32          1HD       ARG  32  -3.733  -2.614  -0.256
  300    HE   ARG  32           HE       ARG  32  -6.036  -4.437   0.054
  301   1HH1  ARG  32          1HH1      ARG  32  -2.604  -3.830  -0.047
  302   2HH1  ARG  32          2HH1      ARG  32  -2.175  -5.498   0.128
  303   1HH2  ARG  32          1HH2      ARG  32  -5.477  -6.634   0.287
  304   2HH2  ARG  32          2HH2      ARG  32  -3.807  -7.092   0.317
  305    H    ALA  33           H        ALA  33  -9.061  -2.083  -0.739
  306    HA   ALA  33           HA       ALA  33  -8.159  -4.020  -2.465
  307   1HB   ALA  33          1HB       ALA  33 -10.221  -4.499  -1.747
  308   2HB   ALA  33          2HB       ALA  33 -10.646  -3.881  -3.344
  309   3HB   ALA  33          3HB       ALA  33 -10.818  -2.848  -1.920
  310    H    LYS  34           H        LYS  34  -8.418  -0.730  -3.032
  311    HA   LYS  34           HA       LYS  34  -8.896  -0.601  -5.807
  312   1HB   LYS  34          2HB       LYS  34  -6.973   1.220  -4.356
  313   2HB   LYS  34          1HB       LYS  34  -8.109   1.620  -5.651
  314   1HG   LYS  34          2HG       LYS  34  -9.948   1.125  -3.992
  315   2HG   LYS  34          1HG       LYS  34  -8.678   1.067  -2.761
  316   1HD   LYS  34          2HD       LYS  34  -8.570   3.295  -2.666
  317   2HD   LYS  34          1HD       LYS  34  -8.448   3.430  -4.421
  318   1HE   LYS  34          2HE       LYS  34 -11.117   2.688  -3.585
  319   2HE   LYS  34          1HE       LYS  34 -10.596   4.194  -2.832
  320   1HZ   LYS  34          1HZ       LYS  34 -10.254   5.186  -4.915
  321   2HZ   LYS  34          2HZ       LYS  34 -11.736   4.385  -5.055
  322   3HZ   LYS  34          3HZ       LYS  34 -10.346   3.713  -5.742
  323    H    TRP  35           H        TRP  35  -6.024  -0.898  -3.841
  324    HA   TRP  35           HA       TRP  35  -4.152  -1.158  -5.972
  325   1HB   TRP  35          2HB       TRP  35  -3.641  -2.281  -3.249
  326   2HB   TRP  35          1HB       TRP  35  -2.556  -1.358  -4.296
  327    HD1  TRP  35           HD       TRP  35  -3.614  -0.939  -1.111
  328    HE1  TRP  35           1HE      TRP  35  -4.297   1.435  -0.465
  329    HE3  TRP  35           3HE      TRP  35  -4.295   1.031  -5.776
  330    HZ2  TRP  35           2HZ      TRP  35  -5.021   3.808  -1.717
  331    HZ3  TRP  35           3HZ      TRP  35  -4.983   3.388  -5.963
  332    HH2  TRP  35           HH       TRP  35  -5.335   4.757  -3.968
  333    H    ASP  36           H        ASP  36  -6.069  -3.275  -3.986
  334    HA   ASP  36           HA       ASP  36  -4.910  -5.741  -4.457
  335   1HB   ASP  36          2HB       ASP  36  -7.240  -4.752  -3.244
  336   2HB   ASP  36          1HB       ASP  36  -7.784  -5.955  -4.413
  Start of MODEL   11
    1   1H    MET   1          1HT       MET   1  15.154  -4.759   7.812
    2   2H    MET   1          2HT       MET   1  14.166  -5.469   8.986
    3   3H    MET   1          3HT       MET   1  15.439  -4.459   9.453
    4    HA   MET   1           HA       MET   1  14.387  -2.552   8.549
    5   1HB   MET   1          2HB       MET   1  11.855  -3.358   7.783
    6   2HB   MET   1          1HB       MET   1  13.167  -2.872   6.721
    7   1HG   MET   1          2HG       MET   1  12.307  -4.920   5.924
    8   2HG   MET   1          1HG       MET   1  13.887  -5.249   6.634
    9   1HE   MET   1          1HE       MET   1  10.701  -4.329   8.166
   10   2HE   MET   1          2HE       MET   1  10.787  -5.291   9.645
   11   3HE   MET   1          3HE       MET   1   9.805  -5.846   8.289
   12    H    TRP   2           H        TRP   2  11.456  -2.468   8.980
   13    HA   TRP   2           HA       TRP   2  11.449  -2.906  11.897
   14   1HB   TRP   2          2HB       TRP   2   9.607  -0.840  11.015
   15   2HB   TRP   2          1HB       TRP   2  10.899  -0.745  12.227
   16    HD1  TRP   2           HD       TRP   2  13.066   0.593  11.475
   17    HE1  TRP   2           1HE      TRP   2  13.756   1.740   9.263
   18    HE3  TRP   2           3HE      TRP   2   9.334  -1.132   8.535
   19    HZ2  TRP   2           2HZ      TRP   2  12.782   1.859   6.587
   20    HZ3  TRP   2           3HZ      TRP   2   9.250  -0.493   6.182
   21    HH2  TRP   2           HH       TRP   2  10.950   0.971   5.217
   22    H    LYS   3           H        LYS   3   8.921  -1.960   9.568
   23    HA   LYS   3           HA       LYS   3   7.342  -4.237  10.510
   24   1HB   LYS   3          2HB       LYS   3   5.331  -2.862  10.212
   25   2HB   LYS   3          1HB       LYS   3   6.426  -2.209  11.418
   26   1HG   LYS   3          2HG       LYS   3   6.315  -1.247   8.569
   27   2HG   LYS   3          1HG       LYS   3   5.376  -0.536   9.886
   28   1HD   LYS   3          2HD       LYS   3   7.443  -0.035  11.084
   29   2HD   LYS   3          1HD       LYS   3   8.362  -0.771   9.764
   30   1HE   LYS   3          2HE       LYS   3   7.924   1.856   9.911
   31   2HE   LYS   3          1HE       LYS   3   8.049   0.992   8.377
   32   1HZ   LYS   3          1HZ       LYS   3   5.425   1.284   9.677
   33   2HZ   LYS   3          2HZ       LYS   3   5.789   1.089   8.038
   34   3HZ   LYS   3          3HZ       LYS   3   6.067   2.575   8.793
   35    H    VAL   4           H        VAL   4   8.399  -2.460   7.784
   36    HA   VAL   4           HA       VAL   4   6.751  -2.907   5.729
   37    HB   VAL   4           HB       VAL   4   8.726  -1.852   5.186
   38   1HG1  VAL   4          1HG1      VAL   4  10.083  -2.620   6.991
   39   2HG1  VAL   4          2HG1      VAL   4  10.943  -2.926   5.482
   40   3HG1  VAL   4          3HG1      VAL   4  10.128  -4.249   6.320
   41   1HG2  VAL   4          1HG2      VAL   4   9.002  -4.624   4.048
   42   2HG2  VAL   4          2HG2      VAL   4   9.825  -3.185   3.444
   43   3HG2  VAL   4          3HG2      VAL   4   8.065  -3.299   3.355
   44    H    GLY   5           H        GLY   5   8.839  -5.386   7.144
   45   1HA   GLY   5          2HA       GLY   5   8.818  -7.442   5.489
   46   2HA   GLY   5          1HA       GLY   5   8.410  -7.693   7.179
   47    H    PHE   6           H        PHE   6   6.007  -6.515   7.381
   48    HA   PHE   6           HA       PHE   6   4.376  -7.923   5.435
   49   1HB   PHE   6          2HB       PHE   6   3.411  -7.457   8.152
   50   2HB   PHE   6          1HB       PHE   6   2.928  -8.705   7.030
   51    HD1  PHE   6           1HD      PHE   6   4.531 -10.598   6.580
   52    HD2  PHE   6           2HD      PHE   6   5.050  -7.858   9.796
   53    HE1  PHE   6           1HE      PHE   6   6.047 -12.189   7.687
   54    HE2  PHE   6           2HE      PHE   6   6.565  -9.445  10.908
   55    HZ   PHE   6           HZ       PHE   6   7.065 -11.614   9.854
   56    H    PHE   7           H        PHE   7   5.293  -4.960   6.564
   57    HA   PHE   7           HA       PHE   7   2.674  -3.773   6.447
   58   1HB   PHE   7          2HB       PHE   7   5.382  -2.864   7.173
   59   2HB   PHE   7          1HB       PHE   7   4.301  -1.634   6.508
   60    HD1  PHE   7           1HD      PHE   7   3.787  -4.560   8.741
   61    HD2  PHE   7           2HD      PHE   7   3.427  -0.363   8.193
   62    HE1  PHE   7           1HE      PHE   7   2.642  -4.381  10.916
   63    HE2  PHE   7           2HE      PHE   7   2.295  -0.172  10.366
   64    HZ   PHE   7           HZ       PHE   7   1.893  -2.180  11.726
   65    H    LYS   8           H        LYS   8   5.404  -4.112   4.360
   66    HA   LYS   8           HA       LYS   8   4.730  -2.201   2.416
   67   1HB   LYS   8          2HB       LYS   8   6.231  -3.416   0.976
   68   2HB   LYS   8          1HB       LYS   8   6.893  -3.480   2.608
   69   1HG   LYS   8          2HG       LYS   8   5.373  -5.689   2.628
   70   2HG   LYS   8          1HG       LYS   8   5.830  -5.635   0.920
   71   1HD   LYS   8          2HD       LYS   8   8.221  -5.313   1.765
   72   2HD   LYS   8          1HD       LYS   8   7.591  -5.810   3.345
   73   1HE   LYS   8          2HE       LYS   8   7.764  -7.938   2.729
   74   2HE   LYS   8          1HE       LYS   8   6.623  -7.642   1.415
   75   1HZ   LYS   8          1HZ       LYS   8   8.307  -8.139   0.072
   76   2HZ   LYS   8          2HZ       LYS   8   9.457  -8.036   1.308
   77   3HZ   LYS   8          3HZ       LYS   8   8.978  -6.641   0.483
   78    H    ARG   9           H        ARG   9   3.337  -5.159   3.356
   79    HA   ARG   9           HA       ARG   9   1.747  -5.290   0.892
   80   1HB   ARG   9          2HB       ARG   9   1.419  -7.728   1.569
   81   2HB   ARG   9          1HB       ARG   9   2.998  -7.271   0.949
   82   1HG   ARG   9          2HG       ARG   9   2.993  -6.938   3.785
   83   2HG   ARG   9          1HG       ARG   9   2.383  -8.546   3.387
   84   1HD   ARG   9          2HD       ARG   9   4.887  -7.431   2.164
   85   2HD   ARG   9          1HD       ARG   9   4.897  -8.280   3.709
   86    HE   ARG   9           HE       ARG   9   4.181 -10.258   2.573
   87   1HH1  ARG   9          1HH1      ARG   9   5.090  -7.619   0.490
   88   2HH1  ARG   9          2HH1      ARG   9   5.315  -8.626  -0.901
   89   1HH2  ARG   9          1HH2      ARG   9   4.472 -11.591   0.748
   90   2HH2  ARG   9          2HH2      ARG   9   4.963 -10.884  -0.755
   91    H    ASN  10           H        ASN  10   1.505  -6.497   4.237
   92    HA   ASN  10           HA       ASN  10  -1.279  -6.459   4.357
   93   1HB   ASN  10          2HB       ASN  10   0.733  -7.375   5.935
   94   2HB   ASN  10          1HB       ASN  10   0.017  -6.107   6.918
   95   1HD2  ASN  10          1HD2      ASN  10  -0.118  -8.605   7.845
   96   2HD2  ASN  10          2HD2      ASN  10  -1.722  -9.233   7.716
   97    H    ARG  11           H        ARG  11   0.561  -4.552   6.645
   98    HA   ARG  11           HA       ARG  11  -1.425  -2.488   6.667
   99   1HB   ARG  11          2HB       ARG  11   0.880  -3.271   8.256
  100   2HB   ARG  11          1HB       ARG  11   0.712  -1.533   8.081
  101   1HG   ARG  11          2HG       ARG  11  -1.747  -2.993   8.775
  102   2HG   ARG  11          1HG       ARG  11  -0.491  -2.952  10.012
  103   1HD   ARG  11          2HD       ARG  11  -1.922  -0.646   8.719
  104   2HD   ARG  11          1HD       ARG  11  -1.840  -1.067  10.430
  105    HE   ARG  11           HE       ARG  11   0.574  -0.227   8.982
  106   1HH1  ARG  11          1HH1      ARG  11  -1.755   0.283  11.527
  107   2HH1  ARG  11          2HH1      ARG  11  -0.773   1.441  12.360
  108   1HH2  ARG  11          1HH2      ARG  11   1.880   1.258  10.075
  109   2HH2  ARG  11          2HH2      ARG  11   1.295   2.004  11.532
  110   1H    LYS  12          1HT       LYS  12   9.346  -0.771  -0.491
  111   2H    LYS  12          2HT       LYS  12  10.193   0.420   0.359
  112   3H    LYS  12          3HT       LYS  12   8.885   0.850  -0.622
  113    HA   LYS  12           HA       LYS  12   7.480  -0.625   0.859
  114   1HB   LYS  12          2HB       LYS  12   8.360  -1.395   2.848
  115   2HB   LYS  12          1HB       LYS  12   9.797  -1.458   1.838
  116   1HG   LYS  12          2HG       LYS  12   9.118   0.855   3.639
  117   2HG   LYS  12          1HG       LYS  12  10.134  -0.506   4.116
  118   1HD   LYS  12          2HD       LYS  12  10.680   1.350   1.800
  119   2HD   LYS  12          1HD       LYS  12  11.465   1.425   3.379
  120   1HE   LYS  12          2HE       LYS  12  11.602  -0.831   1.385
  121   2HE   LYS  12          1HE       LYS  12  12.905   0.278   1.818
  122   1HZ   LYS  12          1HZ       LYS  12  11.605  -1.540   3.768
  123   2HZ   LYS  12          2HZ       LYS  12  13.030  -0.653   3.975
  124   3HZ   LYS  12          3HZ       LYS  12  12.997  -1.958   2.900
  125    H    LEU  13           H        LEU  13   9.469   2.221   0.979
  126    HA   LEU  13           HA       LEU  13   7.851   3.591   2.899
  127   1HB   LEU  13          2HB       LEU  13  10.343   4.018   1.672
  128   2HB   LEU  13          1HB       LEU  13   9.343   5.392   1.232
  129    HG   LEU  13           HG       LEU  13   8.919   5.000   3.979
  130   1HD1  LEU  13          1HD1      LEU  13  10.751   3.854   4.608
  131   2HD1  LEU  13          2HD1      LEU  13  11.522   5.436   4.489
  132   3HD1  LEU  13          3HD1      LEU  13  11.655   4.289   3.156
  133   1HD2  LEU  13          1HD2      LEU  13   8.845   7.173   3.266
  134   2HD2  LEU  13          2HD2      LEU  13  10.273   7.004   2.246
  135   3HD2  LEU  13          3HD2      LEU  13  10.451   7.133   3.996
  136    H    LEU  14           H        LEU  14   6.449   2.456   0.684
  137    HA   LEU  14           HA       LEU  14   5.107   4.868  -0.313
  138   1HB   LEU  14          2HB       LEU  14   5.829   4.254  -2.364
  139   2HB   LEU  14          1HB       LEU  14   6.259   2.640  -1.833
  140    HG   LEU  14           HG       LEU  14   3.733   2.142  -1.922
  141   1HD1  LEU  14          1HD1      LEU  14   3.078   4.537  -2.127
  142   2HD1  LEU  14          2HD1      LEU  14   2.410   3.500  -3.389
  143   3HD1  LEU  14          3HD1      LEU  14   3.787   4.543  -3.743
  144   1HD2  LEU  14          1HD2      LEU  14   5.793   1.915  -3.776
  145   2HD2  LEU  14          2HD2      LEU  14   4.428   2.551  -4.693
  146   3HD2  LEU  14          3HD2      LEU  14   4.256   1.049  -3.783
  147    H    ILE  15           H        ILE  15   5.013   1.551   0.733
  148    HA   ILE  15           HA       ILE  15   2.107   1.776   1.146
  149    HB   ILE  15           HB       ILE  15   2.280   0.094  -0.453
  150   1HG1  ILE  15          2HG1      ILE  15   1.684  -1.970   0.650
  151   2HG1  ILE  15          1HG1      ILE  15   2.488  -1.462   2.131
  152   1HG2  ILE  15          1HG2      ILE  15   4.016  -1.856   0.101
  153   2HG2  ILE  15          2HG2      ILE  15   4.863  -0.504   0.858
  154   3HG2  ILE  15          3HG2      ILE  15   4.444  -0.434  -0.855
  155   1HD1  ILE  15          1HD1      ILE  15   0.853   0.274   2.461
  156   2HD1  ILE  15          2HD1      ILE  15   0.055  -1.290   2.266
  157   3HD1  ILE  15          3HD1      ILE  15   0.074  -0.135   0.932
  158    H    THR  16           H        THR  16   4.977   0.019   2.313
  159    HA   THR  16           HA       THR  16   4.170  -1.028   4.658
  160    HB   THR  16           HB       THR  16   6.722   0.357   3.915
  161    HG1  THR  16           1HG      THR  16   6.145  -2.334   4.549
  162   1HG2  THR  16          1HG2      THR  16   6.295   0.536   6.429
  163   2HG2  THR  16          2HG2      THR  16   7.820  -0.160   5.881
  164   3HG2  THR  16          3HG2      THR  16   6.523  -1.214   6.447
  165    H    ILE  17           H        ILE  17   5.769   2.087   4.639
  166    HA   ILE  17           HA       ILE  17   4.475   2.861   7.141
  167    HB   ILE  17           HB       ILE  17   6.857   3.016   7.098
  168   1HG1  ILE  17          2HG1      ILE  17   7.198   5.573   7.200
  169   2HG1  ILE  17          1HG1      ILE  17   5.478   5.687   6.840
  170   1HG2  ILE  17          1HG2      ILE  17   7.265   2.944   4.756
  171   2HG2  ILE  17          2HG2      ILE  17   7.984   4.452   5.354
  172   3HG2  ILE  17          3HG2      ILE  17   6.428   4.491   4.496
  173   1HD1  ILE  17          1HD1      ILE  17   6.409   3.991   9.112
  174   2HD1  ILE  17          2HD1      ILE  17   4.859   4.810   8.866
  175   3HD1  ILE  17          3HD1      ILE  17   6.292   5.747   9.294
  176    H    HIS  18           H        HIS  18   4.976   3.980   3.858
  177    HA   HIS  18           HA       HIS  18   3.873   6.520   4.093
  178   1HB   HIS  18          2HB       HIS  18   5.287   5.967   2.254
  179   2HB   HIS  18          1HB       HIS  18   4.225   4.651   1.758
  180    HD1  HIS  18           1HD      HIS  18   1.713   5.604   1.147
  181    HD2  HIS  18           2HD      HIS  18   4.931   8.174   0.727
  182    HE1  HIS  18           1HE      HIS  18   0.937   7.380  -0.471
  183    HE2  HIS  18           2HE      HIS  18   2.940   8.885  -0.769
  184    H    ASP  19           H        ASP  19   2.253   3.489   4.058
  185    HA   ASP  19           HA       ASP  19  -0.168   4.358   2.838
  186   1HB   ASP  19          2HB       ASP  19   0.477   1.978   3.086
  187   2HB   ASP  19          1HB       ASP  19   0.203   2.107   4.819
  188    H    ARG  20           H        ARG  20   0.831   4.005   6.229
  189    HA   ARG  20           HA       ARG  20  -1.607   5.067   7.264
  190   1HB   ARG  20          2HB       ARG  20   0.712   5.353   9.015
  191   2HB   ARG  20          1HB       ARG  20  -0.785   4.470   9.275
  192   1HG   ARG  20          2HG       ARG  20   0.310   2.567   9.014
  193   2HG   ARG  20          1HG       ARG  20   0.718   3.031   7.361
  194   1HD   ARG  20          2HD       ARG  20   2.628   2.467   9.009
  195   2HD   ARG  20          1HD       ARG  20   2.784   3.887   7.975
  196    HE   ARG  20           HE       ARG  20   2.009   5.186   9.966
  197   1HH1  ARG  20          1HH1      ARG  20   3.560   2.088  10.338
  198   2HH1  ARG  20          2HH1      ARG  20   4.139   2.425  11.936
  199   1HH2  ARG  20          1HH2      ARG  20   2.768   5.638  12.069
  200   2HH2  ARG  20          2HH2      ARG  20   3.689   4.441  12.919
  201    H    LYS  21           H        LYS  21   1.061   6.404   5.777
  202    HA   LYS  21           HA       LYS  21   1.475   8.836   7.051
  203   1HB   LYS  21          2HB       LYS  21   3.005   8.374   5.375
  204   2HB   LYS  21          1HB       LYS  21   1.764   7.830   4.253
  205   1HG   LYS  21          2HG       LYS  21   1.208  10.515   4.644
  206   2HG   LYS  21          1HG       LYS  21   2.967  10.439   4.563
  207   1HD   LYS  21          2HD       LYS  21   2.224   8.780   2.521
  208   2HD   LYS  21          1HD       LYS  21   0.962  10.012   2.471
  209   1HE   LYS  21          2HE       LYS  21   3.891  10.688   2.577
  210   2HE   LYS  21          1HE       LYS  21   3.028  10.441   1.060
  211   1HZ   LYS  21          1HZ       LYS  21   3.234  12.795   2.357
  212   2HZ   LYS  21          2HZ       LYS  21   1.716  12.256   2.871
  213   3HZ   LYS  21          3HZ       LYS  21   2.039  12.423   1.219
  214    H    GLU  22           H        GLU  22  -1.135   7.748   5.033
  215    HA   GLU  22           HA       GLU  22  -2.388  10.401   5.262
  216   1HB   GLU  22          2HB       GLU  22  -3.706   9.541   3.176
  217   2HB   GLU  22          1HB       GLU  22  -2.092  10.212   2.981
  218   1HG   GLU  22          2HG       GLU  22  -1.125   8.078   2.727
  219   2HG   GLU  22          1HG       GLU  22  -2.592   7.266   3.287
  220    H    PHE  23           H        PHE  23  -4.275   7.909   3.875
  221    HA   PHE  23           HA       PHE  23  -5.693   7.530   6.430
  222   1HB   PHE  23          2HB       PHE  23  -6.813   7.896   3.653
  223   2HB   PHE  23          1HB       PHE  23  -7.771   7.291   4.999
  224    HD1  PHE  23           1HD      PHE  23  -8.585   8.749   6.689
  225    HD2  PHE  23           2HD      PHE  23  -5.937  10.199   3.690
  226    HE1  PHE  23           1HE      PHE  23  -9.082  11.058   7.374
  227    HE2  PHE  23           2HE      PHE  23  -6.430  12.513   4.370
  228    HZ   PHE  23           HZ       PHE  23  -8.004  12.944   6.214
  229    H    ALA  24           H        ALA  24  -4.062   5.651   6.403
  230    HA   ALA  24           HA       ALA  24  -4.540   3.462   4.647
  231   1HB   ALA  24          1HB       ALA  24  -2.408   3.457   5.554
  232   2HB   ALA  24          2HB       ALA  24  -3.233   2.192   6.465
  233   3HB   ALA  24          3HB       ALA  24  -2.992   3.785   7.186
  234    H    LYS  25           H        LYS  25  -6.261   4.681   7.260
  235    HA   LYS  25           HA       LYS  25  -7.184   2.537   8.687
  236   1HB   LYS  25          2HB       LYS  25  -9.469   3.907   8.556
  237   2HB   LYS  25          1HB       LYS  25  -8.096   4.461   9.502
  238   1HG   LYS  25          2HG       LYS  25  -8.226   5.340   6.680
  239   2HG   LYS  25          1HG       LYS  25  -9.403   6.030   7.799
  240   1HD   LYS  25          2HD       LYS  25  -6.583   5.944   8.705
  241   2HD   LYS  25          1HD       LYS  25  -6.971   7.080   7.410
  242   1HE   LYS  25          2HE       LYS  25  -7.566   8.474   9.055
  243   2HE   LYS  25          1HE       LYS  25  -9.023   7.488   9.173
  244   1HZ   LYS  25          1HZ       LYS  25  -6.924   6.296  10.643
  245   2HZ   LYS  25          2HZ       LYS  25  -8.426   6.846  11.193
  246   3HZ   LYS  25          3HZ       LYS  25  -7.109   7.906  11.130
  247    H    PHE  26           H        PHE  26  -8.577   3.758   5.638
  248    HA   PHE  26           HA       PHE  26  -9.723   1.087   5.215
  249   1HB   PHE  26          2HB       PHE  26 -11.266   2.714   3.637
  250   2HB   PHE  26          1HB       PHE  26 -11.727   2.108   5.224
  251    HD1  PHE  26           1HD      PHE  26 -12.380   3.617   6.828
  252    HD2  PHE  26           2HD      PHE  26  -9.854   4.923   3.667
  253    HE1  PHE  26           1HE      PHE  26 -12.539   5.925   7.660
  254    HE2  PHE  26           2HE      PHE  26 -10.002   7.228   4.489
  255    HZ   PHE  26           HZ       PHE  26 -11.349   7.740   6.491
  256    H    GLU  27           H        GLU  27  -7.158   2.397   4.409
  257    HA   GLU  27           HA       GLU  27  -7.361   2.645   1.558
  258   1HB   GLU  27          2HB       GLU  27  -5.415   3.220   3.566
  259   2HB   GLU  27          1HB       GLU  27  -4.669   2.250   2.296
  260   1HG   GLU  27          2HG       GLU  27  -6.226   4.084   0.947
  261   2HG   GLU  27          1HG       GLU  27  -5.507   4.999   2.266
  262    H    GLU  28           H        GLU  28  -7.727   0.101   3.402
  263    HA   GLU  28           HA       GLU  28  -6.418  -1.717   1.500
  264   1HB   GLU  28          2HB       GLU  28  -6.664  -1.833   4.477
  265   2HB   GLU  28          1HB       GLU  28  -6.696  -3.347   3.574
  266   1HG   GLU  28          2HG       GLU  28  -4.535  -1.324   3.132
  267   2HG   GLU  28          1HG       GLU  28  -4.450  -2.476   4.467
  268    H    GLU  29           H        GLU  29  -9.160  -0.317   2.279
  269    HA   GLU  29           HA       GLU  29 -10.833  -2.655   1.651
  270   1HB   GLU  29          2HB       GLU  29 -11.464  -0.234   3.353
  271   2HB   GLU  29          1HB       GLU  29 -12.675  -1.394   2.816
  272   1HG   GLU  29          2HG       GLU  29 -10.572  -2.858   4.007
  273   2HG   GLU  29          1HG       GLU  29 -10.964  -1.514   5.081
  274    H    ARG  30           H        ARG  30 -11.281   0.886   1.656
  275    HA   ARG  30           HA       ARG  30 -12.116   0.690  -1.160
  276   1HB   ARG  30          2HB       ARG  30 -13.975   1.953  -0.795
  277   2HB   ARG  30          1HB       ARG  30 -13.834   1.195   0.786
  278   1HG   ARG  30          2HG       ARG  30 -13.660   3.159   1.762
  279   2HG   ARG  30          1HG       ARG  30 -12.284   3.597   0.749
  280   1HD   ARG  30          2HD       ARG  30 -13.953   5.242   0.385
  281   2HD   ARG  30          1HD       ARG  30 -13.939   4.208  -1.043
  282    HE   ARG  30           HE       ARG  30 -15.961   4.050   1.098
  283   1HH1  ARG  30          1HH1      ARG  30 -15.003   3.752  -2.242
  284   2HH1  ARG  30          2HH1      ARG  30 -16.592   3.335  -2.792
  285   1HH2  ARG  30          1HH2      ARG  30 -18.052   3.509   0.380
  286   2HH2  ARG  30          2HH2      ARG  30 -18.325   3.199  -1.302
  287    H    ALA  31           H        ALA  31 -10.577   2.736   1.273
  288    HA   ALA  31           HA       ALA  31 -10.010   4.941  -0.354
  289   1HB   ALA  31          1HB       ALA  31  -8.945   5.772   1.423
  290   2HB   ALA  31          2HB       ALA  31  -7.977   4.316   1.650
  291   3HB   ALA  31          3HB       ALA  31  -9.633   4.381   2.264
  292    H    ARG  32           H        ARG  32  -9.116   1.984  -1.119
  293    HA   ARG  32           HA       ARG  32  -6.400   2.714  -1.946
  294   1HB   ARG  32          2HB       ARG  32  -7.153   0.477  -0.722
  295   2HB   ARG  32          1HB       ARG  32  -7.442  -0.023  -2.374
  296   1HG   ARG  32          2HG       ARG  32  -4.847   1.043  -1.283
  297   2HG   ARG  32          1HG       ARG  32  -5.212  -0.658  -1.627
  298   1HD   ARG  32          2HD       ARG  32  -5.634   1.359  -3.770
  299   2HD   ARG  32          1HD       ARG  32  -3.972   0.863  -3.397
  300    HE   ARG  32           HE       ARG  32  -5.613  -1.415  -3.717
  301   1HH1  ARG  32          1HH1      ARG  32  -4.102   1.125  -5.565
  302   2HH1  ARG  32          2HH1      ARG  32  -3.994   0.181  -7.012
  303   1HH2  ARG  32          1HH2      ARG  32  -5.479  -2.661  -5.616
  304   2HH2  ARG  32          2HH2      ARG  32  -4.777  -1.972  -7.042
  305    H    ALA  33           H        ALA  33  -9.428   1.320  -3.132
  306    HA   ALA  33           HA       ALA  33  -8.682   1.054  -5.802
  307   1HB   ALA  33          1HB       ALA  33 -10.663   0.053  -5.284
  308   2HB   ALA  33          2HB       ALA  33 -11.204   1.451  -6.216
  309   3HB   ALA  33          3HB       ALA  33 -11.310   1.467  -4.452
  310    H    LYS  34           H        LYS  34  -8.904   3.792  -3.933
  311    HA   LYS  34           HA       LYS  34  -9.725   5.792  -5.751
  312   1HB   LYS  34          2HB       LYS  34  -7.543   6.191  -3.700
  313   2HB   LYS  34          1HB       LYS  34  -8.803   7.322  -4.201
  314   1HG   LYS  34          2HG       LYS  34  -9.283   4.794  -2.647
  315   2HG   LYS  34          1HG       LYS  34  -9.092   6.400  -1.924
  316   1HD   LYS  34          2HD       LYS  34 -11.019   7.212  -3.177
  317   2HD   LYS  34          1HD       LYS  34 -11.194   5.632  -3.935
  318   1HE   LYS  34          2HE       LYS  34 -12.792   5.752  -2.174
  319   2HE   LYS  34          1HE       LYS  34 -11.507   4.668  -1.644
  320   1HZ   LYS  34          1HZ       LYS  34 -11.258   5.935   0.134
  321   2HZ   LYS  34          2HZ       LYS  34 -12.424   7.028  -0.421
  322   3HZ   LYS  34          3HZ       LYS  34 -10.801   7.236  -0.847
  323    H    TRP  35           H        TRP  35  -6.728   4.251  -4.970
  324    HA   TRP  35           HA       TRP  35  -5.095   5.684  -6.834
  325   1HB   TRP  35          2HB       TRP  35  -4.319   3.057  -5.630
  326   2HB   TRP  35          1HB       TRP  35  -3.328   4.499  -5.894
  327    HD1  TRP  35           HD       TRP  35  -3.968   2.674  -3.157
  328    HE1  TRP  35           1HE      TRP  35  -4.548   3.968  -1.037
  329    HE3  TRP  35           3HE      TRP  35  -5.312   7.139  -5.249
  330    HZ2  TRP  35           2HZ      TRP  35  -5.455   6.498  -0.318
  331    HZ3  TRP  35           3HZ      TRP  35  -6.051   8.951  -3.757
  332    HH2  TRP  35           HH       TRP  35  -6.111   8.644  -1.334
  333    H    ASP  36           H        ASP  36  -6.898   2.714  -6.741
  334    HA   ASP  36           HA       ASP  36  -5.817   1.205  -8.754
  335   1HB   ASP  36          2HB       ASP  36  -8.149   1.156  -7.250
  336   2HB   ASP  36          1HB       ASP  36  -8.721   1.230  -8.915
  Start of MODEL   12
    1   1H    MET   1          1HT       MET   1  14.822  -5.305   7.441
    2   2H    MET   1          2HT       MET   1  13.848  -6.130   8.550
    3   3H    MET   1          3HT       MET   1  15.155  -5.206   9.097
    4    HA   MET   1           HA       MET   1  14.124  -3.186   8.470
    5   1HB   MET   1          2HB       MET   1  11.568  -3.833   7.647
    6   2HB   MET   1          1HB       MET   1  12.879  -3.248   6.636
    7   1HG   MET   1          2HG       MET   1  11.949  -5.157   5.601
    8   2HG   MET   1          1HG       MET   1  13.535  -5.607   6.229
    9   1HE   MET   1          1HE       MET   1  10.382  -4.828   7.893
   10   2HE   MET   1          2HE       MET   1  10.503  -5.931   9.270
   11   3HE   MET   1          3HE       MET   1   9.474  -6.345   7.896
   12    H    TRP   2           H        TRP   2  11.197  -3.121   8.945
   13    HA   TRP   2           HA       TRP   2  11.209  -3.912  11.786
   14   1HB   TRP   2          2HB       TRP   2   9.378  -1.741  11.152
   15   2HB   TRP   2          1HB       TRP   2  10.657  -1.803  12.378
   16    HD1  TRP   2           HD       TRP   2  12.874  -0.452  11.793
   17    HE1  TRP   2           1HE      TRP   2  13.588   0.961   9.750
   18    HE3  TRP   2           3HE      TRP   2   9.085  -1.669   8.673
   19    HZ2  TRP   2           2HZ      TRP   2  12.612   1.463   7.117
   20    HZ3  TRP   2           3HZ      TRP   2   9.014  -0.722   6.429
   21    HH2  TRP   2           HH       TRP   2  10.748   0.813   5.655
   22    H    LYS   3           H        LYS   3   8.703  -2.677   9.588
   23    HA   LYS   3           HA       LYS   3   7.080  -5.041  10.225
   24   1HB   LYS   3          2HB       LYS   3   5.103  -3.600  10.093
   25   2HB   LYS   3          1HB       LYS   3   6.208  -3.087  11.360
   26   1HG   LYS   3          2HG       LYS   3   6.184  -1.841   8.625
   27   2HG   LYS   3          1HG       LYS   3   5.156  -1.275   9.945
   28   1HD   LYS   3          2HD       LYS   3   7.174  -0.890  11.307
   29   2HD   LYS   3          1HD       LYS   3   8.154  -1.406   9.931
   30   1HE   LYS   3          2HE       LYS   3   7.650   0.449   8.682
   31   2HE   LYS   3          1HE       LYS   3   6.172   0.790   9.583
   32   1HZ   LYS   3          1HZ       LYS   3   7.728   1.264  11.521
   33   2HZ   LYS   3          2HZ       LYS   3   7.683   2.408  10.274
   34   3HZ   LYS   3          3HZ       LYS   3   8.971   1.317  10.375
   35    H    VAL   4           H        VAL   4   8.149  -2.870   7.756
   36    HA   VAL   4           HA       VAL   4   6.504  -3.096   5.665
   37    HB   VAL   4           HB       VAL   4   8.450  -1.925   5.252
   38   1HG1  VAL   4          1HG1      VAL   4   9.759  -3.237   6.959
   39   2HG1  VAL   4          2HG1      VAL   4  10.654  -2.717   5.533
   40   3HG1  VAL   4          3HG1      VAL   4  10.107  -4.389   5.671
   41   1HG2  VAL   4          1HG2      VAL   4   9.363  -2.812   3.240
   42   2HG2  VAL   4          2HG2      VAL   4   7.666  -3.295   3.305
   43   3HG2  VAL   4          3HG2      VAL   4   8.935  -4.457   3.706
   44    H    GLY   5           H        GLY   5   8.766  -5.652   6.639
   45   1HA   GLY   5          2HA       GLY   5   8.655  -7.486   4.713
   46   2HA   GLY   5          1HA       GLY   5   8.460  -7.958   6.396
   47    H    PHE   6           H        PHE   6   6.002  -6.807   6.921
   48    HA   PHE   6           HA       PHE   6   4.253  -8.241   5.113
   49   1HB   PHE   6          2HB       PHE   6   3.420  -7.798   7.852
   50   2HB   PHE   6          1HB       PHE   6   3.052  -9.149   6.808
   51    HD1  PHE   6           1HD      PHE   6   5.383  -7.780   9.252
   52    HD2  PHE   6           2HD      PHE   6   4.600 -11.016   6.601
   53    HE1  PHE   6           1HE      PHE   6   7.100  -9.124  10.390
   54    HE2  PHE   6           2HE      PHE   6   6.314 -12.367   7.736
   55    HZ   PHE   6           HZ       PHE   6   7.568 -11.420   9.633
   56    H    PHE   7           H        PHE   7   5.136  -5.285   6.294
   57    HA   PHE   7           HA       PHE   7   2.535  -4.109   6.418
   58   1HB   PHE   7          2HB       PHE   7   5.210  -3.345   7.045
   59   2HB   PHE   7          1HB       PHE   7   4.449  -2.090   6.068
   60    HD1  PHE   7           1HD      PHE   7   3.898  -0.383   7.479
   61    HD2  PHE   7           2HD      PHE   7   3.043  -4.384   8.627
   62    HE1  PHE   7           1HE      PHE   7   2.703   0.454   9.458
   63    HE2  PHE   7           2HE      PHE   7   1.842  -3.559  10.619
   64    HZ   PHE   7           HZ       PHE   7   1.668  -1.136  11.032
   65    H    LYS   8           H        LYS   8   5.174  -4.005   4.117
   66    HA   LYS   8           HA       LYS   8   4.264  -2.221   2.264
   67   1HB   LYS   8          2HB       LYS   8   5.532  -3.512   0.628
   68   2HB   LYS   8          1HB       LYS   8   6.394  -3.487   2.167
   69   1HG   LYS   8          2HG       LYS   8   4.908  -5.695   2.493
   70   2HG   LYS   8          1HG       LYS   8   5.143  -5.730   0.743
   71   1HD   LYS   8          2HD       LYS   8   7.385  -5.361   2.701
   72   2HD   LYS   8          1HD       LYS   8   6.867  -6.949   2.118
   73   1HE   LYS   8          2HE       LYS   8   7.041  -5.568  -0.205
   74   2HE   LYS   8          1HE       LYS   8   8.358  -4.836   0.724
   75   1HZ   LYS   8          1HZ       LYS   8   8.373  -7.668   0.986
   76   2HZ   LYS   8          2HZ       LYS   8   9.598  -6.641   0.432
   77   3HZ   LYS   8          3HZ       LYS   8   8.433  -7.224  -0.647
   78    H    ARG   9           H        ARG   9   3.231  -5.497   2.911
   79    HA   ARG   9           HA       ARG   9   1.418  -5.524   0.647
   80   1HB   ARG   9          2HB       ARG   9   1.582  -7.711   2.687
   81   2HB   ARG   9          1HB       ARG   9   1.208  -7.826   0.973
   82   1HG   ARG   9          2HG       ARG   9   3.301  -8.461   0.636
   83   2HG   ARG   9          1HG       ARG   9   3.821  -6.840   1.104
   84   1HD   ARG   9          2HD       ARG   9   5.011  -8.078   2.612
   85   2HD   ARG   9          1HD       ARG   9   3.528  -7.822   3.531
   86    HE   ARG   9           HE       ARG   9   4.344 -10.312   2.217
   87   1HH1  ARG   9          1HH1      ARG   9   2.148  -8.564   4.282
   88   2HH1  ARG   9          2HH1      ARG   9   1.403  -9.992   4.917
   89   1HH2  ARG   9          1HH2      ARG   9   3.368 -12.199   3.048
   90   2HH2  ARG   9          2HH2      ARG   9   2.096 -12.058   4.216
   91    H    ASN  10           H        ASN  10   1.267  -6.144   4.141
   92    HA   ASN  10           HA       ASN  10  -1.512  -6.103   4.387
   93   1HB   ASN  10          2HB       ASN  10   0.469  -6.804   6.012
   94   2HB   ASN  10          1HB       ASN  10   0.042  -5.253   6.714
   95   1HD2  ASN  10          1HD2      ASN  10  -0.264  -7.951   7.786
   96   2HD2  ASN  10          2HD2      ASN  10  -1.946  -8.135   8.136
   97    H    ARG  11           H        ARG  11   0.503  -3.756   6.052
   98    HA   ARG  11           HA       ARG  11  -1.531  -1.761   5.946
   99   1HB   ARG  11          2HB       ARG  11   1.067  -2.111   7.231
  100   2HB   ARG  11          1HB       ARG  11   0.699  -0.452   6.784
  101   1HG   ARG  11          2HG       ARG  11   0.018  -0.966   9.078
  102   2HG   ARG  11          1HG       ARG  11  -1.352  -0.517   8.059
  103   1HD   ARG  11          2HD       ARG  11  -1.745  -2.477   9.581
  104   2HD   ARG  11          1HD       ARG  11  -2.063  -2.777   7.873
  105    HE   ARG  11           HE       ARG  11   0.449  -3.633   8.085
  106   1HH1  ARG  11          1HH1      ARG  11  -2.326  -4.209  10.111
  107   2HH1  ARG  11          2HH1      ARG  11  -1.783  -5.769  10.629
  108   1HH2  ARG  11          1HH2      ARG  11   1.171  -5.682   8.761
  109   2HH2  ARG  11          2HH2      ARG  11   0.207  -6.606   9.863
  110   1H    LYS  12          1HT       LYS  12   8.980   1.383  -0.325
  111   2H    LYS  12          2HT       LYS  12   9.510  -0.221  -0.250
  112   3H    LYS  12          3HT       LYS  12  10.247   0.957   0.713
  113    HA   LYS  12           HA       LYS  12   7.530  -0.180   0.970
  114   1HB   LYS  12          2HB       LYS  12   8.314  -1.160   2.894
  115   2HB   LYS  12          1HB       LYS  12   9.819  -1.082   1.990
  116   1HG   LYS  12          2HG       LYS  12   8.938   0.972   4.010
  117   2HG   LYS  12          1HG       LYS  12  10.011  -0.385   4.358
  118   1HD   LYS  12          2HD       LYS  12  10.534   1.838   2.383
  119   2HD   LYS  12          1HD       LYS  12  11.297   1.646   3.963
  120   1HE   LYS  12          2HE       LYS  12  11.568  -0.138   1.552
  121   2HE   LYS  12          1HE       LYS  12  12.821   0.845   2.308
  122   1HZ   LYS  12          1HZ       LYS  12  13.340  -0.963   3.463
  123   2HZ   LYS  12          2HZ       LYS  12  11.952  -1.790   2.963
  124   3HZ   LYS  12          3HZ       LYS  12  11.889  -0.772   4.314
  125    H    LEU  13           H        LEU  13   9.498   2.636   1.435
  126    HA   LEU  13           HA       LEU  13   7.762   3.819   3.390
  127   1HB   LEU  13          2HB       LEU  13  10.352   4.299   2.518
  128   2HB   LEU  13          1HB       LEU  13   9.452   5.696   1.957
  129    HG   LEU  13           HG       LEU  13   8.581   5.401   4.560
  130   1HD1  LEU  13          1HD1      LEU  13  10.144   3.867   5.312
  131   2HD1  LEU  13          2HD1      LEU  13  10.874   5.413   5.748
  132   3HD1  LEU  13          3HD1      LEU  13  11.435   4.544   4.319
  133   1HD2  LEU  13          1HD2      LEU  13   8.975   7.565   4.227
  134   2HD2  LEU  13          2HD2      LEU  13  10.188   7.233   2.991
  135   3HD2  LEU  13          3HD2      LEU  13  10.644   7.234   4.695
  136    H    LEU  14           H        LEU  14   6.460   2.929   1.066
  137    HA   LEU  14           HA       LEU  14   5.249   5.437   0.167
  138   1HB   LEU  14          2HB       LEU  14   6.167   5.038  -1.857
  139   2HB   LEU  14          1HB       LEU  14   6.527   3.367  -1.473
  140    HG   LEU  14           HG       LEU  14   4.061   2.886  -1.880
  141   1HD1  LEU  14          1HD1      LEU  14   3.195   5.133  -1.745
  142   2HD1  LEU  14          2HD1      LEU  14   2.915   4.497  -3.367
  143   3HD1  LEU  14          3HD1      LEU  14   4.222   5.647  -3.083
  144   1HD2  LEU  14          1HD2      LEU  14   5.159   2.019  -3.626
  145   2HD2  LEU  14          2HD2      LEU  14   6.198   3.433  -3.799
  146   3HD2  LEU  14          3HD2      LEU  14   4.580   3.437  -4.499
  147    H    ILE  15           H        ILE  15   5.059   2.023   0.839
  148    HA   ILE  15           HA       ILE  15   2.130   2.240   1.041
  149    HB   ILE  15           HB       ILE  15   2.452   0.752  -0.730
  150   1HG1  ILE  15          2HG1      ILE  15   1.598  -1.329   0.019
  151   2HG1  ILE  15          1HG1      ILE  15   2.393  -1.181   1.581
  152   1HG2  ILE  15          1HG2      ILE  15   4.097  -0.995  -0.825
  153   2HG2  ILE  15          2HG2      ILE  15   4.567  -0.700   0.850
  154   3HG2  ILE  15          3HG2      ILE  15   4.899   0.515  -0.386
  155   1HD1  ILE  15          1HD1      ILE  15   0.294  -0.674   2.208
  156   2HD1  ILE  15          2HD1      ILE  15  -0.148  -0.026   0.624
  157   3HD1  ILE  15          3HD1      ILE  15   0.818   0.948   1.738
  158    H    THR  16           H        THR  16   4.803   0.177   2.188
  159    HA   THR  16           HA       THR  16   3.763  -1.036   4.341
  160    HB   THR  16           HB       THR  16   6.452   0.155   3.824
  161    HG1  THR  16           1HG      THR  16   6.763  -1.794   3.206
  162   1HG2  THR  16          1HG2      THR  16   7.226  -1.123   5.919
  163   2HG2  THR  16          2HG2      THR  16   5.576  -0.869   6.484
  164   3HG2  THR  16          3HG2      THR  16   6.598   0.515   6.094
  165    H    ILE  17           H        ILE  17   5.653   1.831   4.892
  166    HA   ILE  17           HA       ILE  17   4.230   2.467   7.337
  167    HB   ILE  17           HB       ILE  17   6.605   2.434   7.431
  168   1HG1  ILE  17          2HG1      ILE  17   7.138   4.954   7.781
  169   2HG1  ILE  17          1HG1      ILE  17   5.432   5.206   7.425
  170   1HG2  ILE  17          1HG2      ILE  17   7.130   2.562   5.110
  171   2HG2  ILE  17          2HG2      ILE  17   7.959   3.911   5.912
  172   3HG2  ILE  17          3HG2      ILE  17   6.472   4.210   4.990
  173   1HD1  ILE  17          1HD1      ILE  17   6.213   3.211   9.497
  174   2HD1  ILE  17          2HD1      ILE  17   4.739   4.180   9.344
  175   3HD1  ILE  17          3HD1      ILE  17   6.240   4.937   9.879
  176    H    HIS  18           H        HIS  18   5.021   3.951   4.253
  177    HA   HIS  18           HA       HIS  18   4.044   6.506   4.756
  178   1HB   HIS  18          2HB       HIS  18   5.575   6.112   2.972
  179   2HB   HIS  18          1HB       HIS  18   4.503   4.928   2.230
  180    HD1  HIS  18           1HD      HIS  18   2.072   6.140   1.595
  181    HD2  HIS  18           2HD      HIS  18   5.507   8.448   1.614
  182    HE1  HIS  18           1HE      HIS  18   1.550   8.116   0.114
  183    HE2  HIS  18           2HE      HIS  18   3.620   9.555   0.228
  184    H    ASP  19           H        ASP  19   2.259   3.642   4.351
  185    HA   ASP  19           HA       ASP  19   0.016   4.732   2.982
  186   1HB   ASP  19          2HB       ASP  19   0.316   2.370   2.970
  187   2HB   ASP  19          1HB       ASP  19   0.302   2.288   4.724
  188    H    ARG  20           H        ARG  20   0.719   4.211   6.431
  189    HA   ARG  20           HA       ARG  20  -1.775   5.233   7.331
  190   1HB   ARG  20          2HB       ARG  20   0.443   5.591   9.207
  191   2HB   ARG  20          1HB       ARG  20  -1.048   4.682   9.396
  192   1HG   ARG  20          2HG       ARG  20  -0.084   2.730   8.823
  193   2HG   ARG  20          1HG       ARG  20   0.958   3.478   7.611
  194   1HD   ARG  20          2HD       ARG  20   2.231   2.554   9.509
  195   2HD   ARG  20          1HD       ARG  20   2.442   4.295   9.336
  196    HE   ARG  20           HE       ARG  20   0.785   4.505  11.180
  197   1HH1  ARG  20          1HH1      ARG  20   2.609   1.564  10.785
  198   2HH1  ARG  20          2HH1      ARG  20   2.485   1.110  12.452
  199   1HH2  ARG  20          1HH2      ARG  20   0.614   3.915  13.379
  200   2HH2  ARG  20          2HH2      ARG  20   1.350   2.446  13.926
  201    H    LYS  21           H        LYS  21   0.891   6.676   5.972
  202    HA   LYS  21           HA       LYS  21   1.089   9.134   7.301
  203   1HB   LYS  21          2HB       LYS  21   2.831   8.779   5.842
  204   2HB   LYS  21          1HB       LYS  21   1.787   8.076   4.610
  205   1HG   LYS  21          2HG       LYS  21   0.901  10.359   4.161
  206   2HG   LYS  21          1HG       LYS  21   2.117  10.986   5.269
  207   1HD   LYS  21          2HD       LYS  21   3.884  10.036   3.870
  208   2HD   LYS  21          1HD       LYS  21   2.664   9.404   2.763
  209   1HE   LYS  21          2HE       LYS  21   2.428  12.270   3.325
  210   2HE   LYS  21          1HE       LYS  21   3.919  11.810   2.504
  211   1HZ   LYS  21          1HZ       LYS  21   2.219  12.330   0.901
  212   2HZ   LYS  21          2HZ       LYS  21   1.157  11.208   1.592
  213   3HZ   LYS  21          3HZ       LYS  21   2.566  10.676   0.823
  214    H    GLU  22           H        GLU  22  -0.799   8.175   4.470
  215    HA   GLU  22           HA       GLU  22  -2.175  10.728   4.424
  216   1HB   GLU  22          2HB       GLU  22  -3.339   9.508   2.421
  217   2HB   GLU  22          1HB       GLU  22  -1.686  10.090   2.266
  218   1HG   GLU  22          2HG       GLU  22  -0.783   7.954   2.437
  219   2HG   GLU  22          1HG       GLU  22  -2.259   7.284   3.145
  220    H    PHE  23           H        PHE  23  -4.123   8.204   3.293
  221    HA   PHE  23           HA       PHE  23  -5.774   8.318   5.730
  222   1HB   PHE  23          2HB       PHE  23  -6.584   8.364   2.829
  223   2HB   PHE  23          1HB       PHE  23  -7.720   7.982   4.118
  224    HD1  PHE  23           1HD      PHE  23  -5.571  10.604   2.692
  225    HD2  PHE  23           2HD      PHE  23  -8.612   9.679   5.521
  226    HE1  PHE  23           1HE      PHE  23  -5.978  13.005   3.034
  227    HE2  PHE  23           2HE      PHE  23  -9.027  12.080   5.867
  228    HZ   PHE  23           HZ       PHE  23  -7.708  13.746   4.621
  229    H    ALA  24           H        ALA  24  -4.131   6.331   5.917
  230    HA   ALA  24           HA       ALA  24  -4.743   3.955   4.538
  231   1HB   ALA  24          1HB       ALA  24  -2.707   3.790   5.545
  232   2HB   ALA  24          2HB       ALA  24  -3.696   2.939   6.732
  233   3HB   ALA  24          3HB       ALA  24  -3.238   4.620   7.008
  234    H    LYS  25           H        LYS  25  -6.545   5.666   6.773
  235    HA   LYS  25           HA       LYS  25  -7.709   3.874   8.470
  236   1HB   LYS  25          2HB       LYS  25  -9.903   5.316   7.707
  237   2HB   LYS  25          1HB       LYS  25  -8.716   5.840   8.891
  238   1HG   LYS  25          2HG       LYS  25  -8.160   6.449   6.046
  239   2HG   LYS  25          1HG       LYS  25  -9.452   7.351   6.842
  240   1HD   LYS  25          2HD       LYS  25  -6.905   7.082   8.325
  241   2HD   LYS  25          1HD       LYS  25  -6.884   8.117   6.898
  242   1HE   LYS  25          2HE       LYS  25  -8.875   9.305   7.829
  243   2HE   LYS  25          1HE       LYS  25  -8.684   8.358   9.303
  244   1HZ   LYS  25          1HZ       LYS  25  -7.649  10.556   9.457
  245   2HZ   LYS  25          2HZ       LYS  25  -6.620  10.168   8.173
  246   3HZ   LYS  25          3HZ       LYS  25  -6.512   9.314   9.628
  247    H    PHE  26           H        PHE  26  -8.500   4.376   5.051
  248    HA   PHE  26           HA       PHE  26  -9.997   1.847   5.132
  249   1HB   PHE  26          2HB       PHE  26 -10.866   3.255   2.865
  250   2HB   PHE  26          1HB       PHE  26 -11.780   2.921   4.330
  251    HD1  PHE  26           1HD      PHE  26  -9.384   5.353   2.873
  252    HD2  PHE  26           2HD      PHE  26 -12.532   4.665   5.648
  253    HE1  PHE  26           1HE      PHE  26  -9.486   7.758   3.341
  254    HE2  PHE  26           2HE      PHE  26 -12.642   7.073   6.125
  255    HZ   PHE  26           HZ       PHE  26 -11.119   8.630   4.970
  256    H    GLU  27           H        GLU  27  -7.196   3.173   4.131
  257    HA   GLU  27           HA       GLU  27  -7.056   2.129   1.466
  258   1HB   GLU  27          2HB       GLU  27  -5.143   3.395   3.356
  259   2HB   GLU  27          1HB       GLU  27  -4.485   2.457   2.022
  260   1HG   GLU  27          2HG       GLU  27  -6.327   3.977   0.737
  261   2HG   GLU  27          1HG       GLU  27  -5.817   5.060   2.031
  262    H    GLU  28           H        GLU  28  -7.586   0.482   4.023
  263    HA   GLU  28           HA       GLU  28  -5.726  -1.703   3.375
  264   1HB   GLU  28          2HB       GLU  28  -7.189  -1.381   5.997
  265   2HB   GLU  28          1HB       GLU  28  -5.844  -2.455   5.637
  266   1HG   GLU  28          2HG       GLU  28  -5.005   0.203   5.123
  267   2HG   GLU  28          1HG       GLU  28  -5.791   0.170   6.702
  268    H    GLU  29           H        GLU  29  -8.790  -0.503   3.187
  269    HA   GLU  29           HA       GLU  29  -9.987  -3.174   2.886
  270   1HB   GLU  29          2HB       GLU  29 -11.168  -0.609   3.937
  271   2HB   GLU  29          1HB       GLU  29 -12.180  -1.925   3.350
  272   1HG   GLU  29          2HG       GLU  29 -10.095  -2.497   5.398
  273   2HG   GLU  29          1HG       GLU  29 -11.597  -1.713   5.883
  274    H    ARG  30           H        ARG  30 -10.795   0.176   1.926
  275    HA   ARG  30           HA       ARG  30 -11.213  -0.820  -0.817
  276   1HB   ARG  30          2HB       ARG  30 -13.344  -0.210  -0.498
  277   2HB   ARG  30          1HB       ARG  30 -12.953   0.669   0.973
  278   1HG   ARG  30          2HG       ARG  30 -11.999   2.418  -0.793
  279   2HG   ARG  30          1HG       ARG  30 -13.219   1.643  -1.809
  280   1HD   ARG  30          2HD       ARG  30 -13.658   2.966   0.865
  281   2HD   ARG  30          1HD       ARG  30 -14.179   3.566  -0.708
  282    HE   ARG  30           HE       ARG  30 -15.214   1.032   0.377
  283   1HH1  ARG  30          1HH1      ARG  30 -15.713   4.224  -0.933
  284   2HH1  ARG  30          2HH1      ARG  30 -17.432   4.049  -1.045
  285   1HH2  ARG  30          1HH2      ARG  30 -17.478   0.796   0.235
  286   2HH2  ARG  30          2HH2      ARG  30 -18.436   2.101  -0.381
  287    H    ALA  31           H        ALA  31 -10.329   2.058   1.080
  288    HA   ALA  31           HA       ALA  31  -9.706   3.787  -0.975
  289   1HB   ALA  31          1HB       ALA  31  -8.665   5.123   0.557
  290   2HB   ALA  31          2HB       ALA  31  -7.984   3.762   1.445
  291   3HB   ALA  31          3HB       ALA  31  -9.702   4.139   1.592
  292    H    ARG  32           H        ARG  32  -8.267   0.846  -0.631
  293    HA   ARG  32           HA       ARG  32  -5.679   1.794  -1.639
  294   1HB   ARG  32          2HB       ARG  32  -6.099  -0.018   0.267
  295   2HB   ARG  32          1HB       ARG  32  -6.143  -1.085  -1.120
  296   1HG   ARG  32          2HG       ARG  32  -3.892   0.733  -0.295
  297   2HG   ARG  32          1HG       ARG  32  -3.914  -1.036  -0.244
  298   1HD   ARG  32          2HD       ARG  32  -4.519   0.239  -2.842
  299   2HD   ARG  32          1HD       ARG  32  -2.845   0.357  -2.271
  300    HE   ARG  32           HE       ARG  32  -4.267  -2.205  -2.644
  301   1HH1  ARG  32          1HH1      ARG  32  -1.385  -0.249  -2.791
  302   2HH1  ARG  32          2HH1      ARG  32  -0.391  -1.531  -3.396
  303   1HH2  ARG  32          1HH2      ARG  32  -2.963  -3.898  -3.442
  304   2HH2  ARG  32          2HH2      ARG  32  -1.286  -3.604  -3.765
  305    H    ALA  33           H        ALA  33  -8.247  -0.553  -2.310
  306    HA   ALA  33           HA       ALA  33  -7.222  -1.463  -4.741
  307   1HB   ALA  33          1HB       ALA  33  -8.927  -2.725  -3.879
  308   2HB   ALA  33          2HB       ALA  33  -9.693  -1.934  -5.259
  309   3HB   ALA  33          3HB       ALA  33  -9.989  -1.342  -3.621
  310    H    LYS  34           H        LYS  34  -8.247   1.568  -3.868
  311    HA   LYS  34           HA       LYS  34  -9.392   2.592  -6.239
  312   1HB   LYS  34          2HB       LYS  34  -7.555   4.182  -4.443
  313   2HB   LYS  34          1HB       LYS  34  -9.004   4.727  -5.290
  314   1HG   LYS  34          2HG       LYS  34  -8.920   2.868  -2.926
  315   2HG   LYS  34          1HG       LYS  34  -9.335   4.587  -2.879
  316   1HD   LYS  34          2HD       LYS  34 -10.825   2.657  -4.616
  317   2HD   LYS  34          1HD       LYS  34 -11.258   2.888  -2.923
  318   1HE   LYS  34          2HE       LYS  34 -11.889   5.106  -3.261
  319   2HE   LYS  34          1HE       LYS  34 -10.982   5.232  -4.768
  320   1HZ   LYS  34          1HZ       LYS  34 -12.720   4.517  -5.932
  321   2HZ   LYS  34          2HZ       LYS  34 -13.654   4.757  -4.543
  322   3HZ   LYS  34          3HZ       LYS  34 -13.020   3.226  -4.882
  323    H    TRP  35           H        TRP  35  -6.199   2.121  -5.019
  324    HA   TRP  35           HA       TRP  35  -4.794   3.246  -7.256
  325   1HB   TRP  35          2HB       TRP  35  -3.578   1.381  -5.242
  326   2HB   TRP  35          1HB       TRP  35  -2.860   2.800  -6.016
  327    HD1  TRP  35           HD       TRP  35  -3.196   2.030  -2.801
  328    HE1  TRP  35           1HE      TRP  35  -4.136   3.845  -1.267
  329    HE3  TRP  35           3HE      TRP  35  -5.459   4.983  -6.303
  330    HZ2  TRP  35           2HZ      TRP  35  -5.641   6.181  -1.480
  331    HZ3  TRP  35           3HZ      TRP  35  -6.654   6.996  -5.542
  332    HH2  TRP  35           HH       TRP  35  -6.735   7.593  -3.175
  333    H    ASP  36           H        ASP  36  -5.805   0.113  -6.110
  334    HA   ASP  36           HA       ASP  36  -4.322  -1.613  -7.665
  335   1HB   ASP  36          2HB       ASP  36  -6.647  -1.740  -6.037
  336   2HB   ASP  36          1HB       ASP  36  -6.991  -2.604  -7.534
  Start of MODEL   13
    1   1H    MET   1          1HT       MET   1  14.849  -5.119   7.983
    2   2H    MET   1          2HT       MET   1  13.851  -5.835   9.147
    3   3H    MET   1          3HT       MET   1  15.165  -4.883   9.627
    4    HA   MET   1           HA       MET   1  14.169  -2.913   8.826
    5   1HB   MET   1          2HB       MET   1  11.617  -3.608   8.004
    6   2HB   MET   1          1HB       MET   1  12.950  -3.096   6.981
    7   1HG   MET   1          2HG       MET   1  12.055  -5.078   6.062
    8   2HG   MET   1          1HG       MET   1  13.617  -5.484   6.772
    9   1HE   MET   1          1HE       MET   1  10.437  -4.567   8.314
   10   2HE   MET   1          2HE       MET   1  10.506  -5.593   9.752
   11   3HE   MET   1          3HE       MET   1   9.508  -6.068   8.377
   12    H    TRP   2           H        TRP   2  11.235  -2.754   9.239
   13    HA   TRP   2           HA       TRP   2  11.177  -3.331  12.130
   14   1HB   TRP   2          2HB       TRP   2   9.424  -1.155  11.330
   15   2HB   TRP   2          1HB       TRP   2  10.704  -1.167  12.558
   16    HD1  TRP   2           HD       TRP   2  12.940   0.104  11.887
   17    HE1  TRP   2           1HE      TRP   2  13.704   1.315   9.737
   18    HE3  TRP   2           3HE      TRP   2   9.162  -1.310   8.840
   19    HZ2  TRP   2           2HZ      TRP   2  12.767   1.599   7.063
   20    HZ3  TRP   2           3HZ      TRP   2   9.136  -0.558   6.516
   21    HH2  TRP   2           HH       TRP   2  10.912   0.868   5.638
   22    H    LYS   3           H        LYS   3   8.723  -2.198   9.802
   23    HA   LYS   3           HA       LYS   3   7.050  -4.464  10.615
   24   1HB   LYS   3          2HB       LYS   3   5.086  -3.017  10.308
   25   2HB   LYS   3          1HB       LYS   3   6.162  -2.443  11.573
   26   1HG   LYS   3          2HG       LYS   3   6.201  -1.372   8.762
   27   2HG   LYS   3          1HG       LYS   3   5.208  -0.689  10.052
   28   1HD   LYS   3          2HD       LYS   3   7.228  -0.279  11.373
   29   2HD   LYS   3          1HD       LYS   3   8.193  -0.972  10.064
   30   1HE   LYS   3          2HE       LYS   3   7.824   0.805   8.658
   31   2HE   LYS   3          1HE       LYS   3   6.342   1.292   9.482
   32   1HZ   LYS   3          1HZ       LYS   3   7.592   2.820  10.480
   33   2HZ   LYS   3          2HZ       LYS   3   9.039   2.114   9.960
   34   3HZ   LYS   3          3HZ       LYS   3   8.292   1.566  11.374
   35    H    VAL   4           H        VAL   4   8.216  -2.586   7.974
   36    HA   VAL   4           HA       VAL   4   6.579  -2.950   5.890
   37    HB   VAL   4           HB       VAL   4   8.564  -1.898   5.385
   38   1HG1  VAL   4          1HG1      VAL   4   9.967  -4.343   6.420
   39   2HG1  VAL   4          2HG1      VAL   4   9.904  -2.749   7.178
   40   3HG1  VAL   4          3HG1      VAL   4  10.774  -2.971   5.660
   41   1HG2  VAL   4          1HG2      VAL   4   9.670  -3.198   3.611
   42   2HG2  VAL   4          2HG2      VAL   4   7.908  -3.266   3.500
   43   3HG2  VAL   4          3HG2      VAL   4   8.807  -4.636   4.157
   44    H    GLY   5           H        GLY   5   8.666  -5.477   7.227
   45   1HA   GLY   5          2HA       GLY   5   8.556  -7.511   5.514
   46   2HA   GLY   5          1HA       GLY   5   8.256  -7.780   7.226
   47    H    PHE   6           H        PHE   6   5.854  -6.512   7.536
   48    HA   PHE   6           HA       PHE   6   4.101  -7.985   5.764
   49   1HB   PHE   6          2HB       PHE   6   3.165  -7.309   8.413
   50   2HB   PHE   6          1HB       PHE   6   2.816  -8.735   7.466
   51    HD1  PHE   6           1HD      PHE   6   4.451  -7.544  10.312
   52    HD2  PHE   6           2HD      PHE   6   4.912 -10.321   7.120
   53    HE1  PHE   6           1HE      PHE   6   6.056  -8.827  11.665
   54    HE2  PHE   6           2HE      PHE   6   6.517 -11.609   8.467
   55    HZ   PHE   6           HZ       PHE   6   7.092 -10.862  10.743
   56    H    PHE   7           H        PHE   7   5.139  -5.011   6.661
   57    HA   PHE   7           HA       PHE   7   2.583  -3.696   6.631
   58   1HB   PHE   7          2HB       PHE   7   5.236  -3.044   7.405
   59   2HB   PHE   7          1HB       PHE   7   4.675  -1.835   6.250
   60    HD1  PHE   7           1HD      PHE   7   4.106   0.037   7.399
   61    HD2  PHE   7           2HD      PHE   7   2.901  -3.756   8.886
   62    HE1  PHE   7           1HE      PHE   7   2.811   1.157   9.165
   63    HE2  PHE   7           2HE      PHE   7   1.599  -2.647  10.668
   64    HZ   PHE   7           HZ       PHE   7   1.551  -0.187  10.803
   65    H    LYS   8           H        LYS   8   5.319  -3.967   4.436
   66    HA   LYS   8           HA       LYS   8   4.561  -2.188   2.476
   67   1HB   LYS   8          2HB       LYS   8   5.917  -3.520   0.964
   68   2HB   LYS   8          1HB       LYS   8   6.683  -3.490   2.551
   69   1HG   LYS   8          2HG       LYS   8   5.138  -5.687   2.778
   70   2HG   LYS   8          1HG       LYS   8   5.544  -5.735   1.059
   71   1HD   LYS   8          2HD       LYS   8   7.960  -5.363   1.815
   72   2HD   LYS   8          1HD       LYS   8   7.377  -5.775   3.436
   73   1HE   LYS   8          2HE       LYS   8   7.562  -7.928   2.923
   74   2HE   LYS   8          1HE       LYS   8   6.333  -7.705   1.674
   75   1HZ   LYS   8          1HZ       LYS   8   8.930  -8.439   1.266
   76   2HZ   LYS   8          2HZ       LYS   8   8.916  -6.803   0.837
   77   3HZ   LYS   8          3HZ       LYS   8   7.857  -7.885   0.082
   78    H    ARG   9           H        ARG   9   3.264  -5.250   3.370
   79    HA   ARG   9           HA       ARG   9   1.561  -5.360   0.995
   80   1HB   ARG   9          2HB       ARG   9   1.102  -7.714   1.869
   81   2HB   ARG   9          1HB       ARG   9   2.700  -7.382   1.218
   82   1HG   ARG   9          2HG       ARG   9   2.694  -6.835   4.026
   83   2HG   ARG   9          1HG       ARG   9   2.053  -8.454   3.729
   84   1HD   ARG   9          2HD       ARG   9   4.583  -7.475   2.439
   85   2HD   ARG   9          1HD       ARG   9   4.578  -8.207   4.042
   86    HE   ARG   9           HE       ARG   9   4.329  -9.559   1.542
   87   1HH1  ARG   9          1HH1      ARG   9   3.410  -9.671   4.901
   88   2HH1  ARG   9          2HH1      ARG   9   3.229 -11.394   4.926
   89   1HH2  ARG   9          1HH2      ARG   9   4.098 -11.825   1.567
   90   2HH2  ARG   9          2HH2      ARG   9   3.619 -12.618   3.030
   91    H    ASN  10           H        ASN  10   1.320  -5.969   4.508
   92    HA   ASN  10           HA       ASN  10  -1.486  -5.930   4.583
   93   1HB   ASN  10          2HB       ASN  10   0.387  -6.683   6.319
   94   2HB   ASN  10          1HB       ASN  10  -0.096  -5.149   7.028
   95   1HD2  ASN  10          1HD2      ASN  10  -0.502  -8.088   7.714
   96   2HD2  ASN  10          2HD2      ASN  10  -2.193  -8.202   8.047
   97    H    ARG  11           H        ARG  11   0.845  -3.485   5.639
   98    HA   ARG  11           HA       ARG  11  -1.302  -1.491   5.638
   99   1HB   ARG  11          2HB       ARG  11   1.032  -1.976   7.267
  100   2HB   ARG  11          1HB       ARG  11   0.950  -0.316   6.697
  101   1HG   ARG  11          2HG       ARG  11  -0.126  -0.458   8.831
  102   2HG   ARG  11          1HG       ARG  11  -1.347  -0.156   7.594
  103   1HD   ARG  11          2HD       ARG  11  -1.878  -1.912   9.374
  104   2HD   ARG  11          1HD       ARG  11  -2.151  -2.352   7.689
  105    HE   ARG  11           HE       ARG  11   0.081  -3.493   7.842
  106   1HH1  ARG  11          1HH1      ARG  11  -1.905  -2.981  10.660
  107   2HH1  ARG  11          2HH1      ARG  11  -1.248  -4.330  11.525
  108   1HH2  ARG  11          1HH2      ARG  11   0.949  -5.271   8.973
  109   2HH2  ARG  11          2HH2      ARG  11   0.374  -5.632  10.567
  110   1H    LYS  12          1HT       LYS  12  10.530  -0.555   0.466
  111   2H    LYS  12          2HT       LYS  12  10.465   1.122   0.680
  112   3H    LYS  12          3HT       LYS  12   9.527   0.387  -0.520
  113    HA   LYS  12           HA       LYS  12   7.968  -0.369   0.909
  114   1HB   LYS  12          2HB       LYS  12   8.420  -1.273   3.006
  115   2HB   LYS  12          1HB       LYS  12   9.937  -1.535   2.159
  116   1HG   LYS  12          2HG       LYS  12   9.377   0.758   4.031
  117   2HG   LYS  12          1HG       LYS  12  10.225  -0.729   4.464
  118   1HD   LYS  12          2HD       LYS  12  11.102   1.294   2.401
  119   2HD   LYS  12          1HD       LYS  12  11.825   1.033   3.990
  120   1HE   LYS  12          2HE       LYS  12  11.674  -1.051   1.819
  121   2HE   LYS  12          1HE       LYS  12  13.078  -0.022   2.112
  122   1HZ   LYS  12          1HZ       LYS  12  11.903  -1.872   4.118
  123   2HZ   LYS  12          2HZ       LYS  12  13.323  -0.967   4.288
  124   3HZ   LYS  12          3HZ       LYS  12  13.254  -2.226   3.161
  125    H    LEU  13           H        LEU  13  10.095   2.293   1.532
  126    HA   LEU  13           HA       LEU  13   8.344   3.649   3.338
  127   1HB   LEU  13          2HB       LEU  13  10.980   3.947   2.594
  128   2HB   LEU  13          1HB       LEU  13  10.208   5.344   1.867
  129    HG   LEU  13           HG       LEU  13   9.221   5.171   4.506
  130   1HD1  LEU  13          1HD1      LEU  13  11.407   5.422   5.732
  131   2HD1  LEU  13          2HD1      LEU  13  12.189   4.731   4.310
  132   3HD1  LEU  13          3HD1      LEU  13  11.004   3.785   5.210
  133   1HD2  LEU  13          1HD2      LEU  13   9.361   7.302   3.755
  134   2HD2  LEU  13          2HD2      LEU  13  10.853   7.008   2.861
  135   3HD2  LEU  13          3HD2      LEU  13  10.904   7.243   4.608
  136    H    LEU  14           H        LEU  14   7.094   2.777   0.932
  137    HA   LEU  14           HA       LEU  14   6.004   5.330   0.027
  138   1HB   LEU  14          2HB       LEU  14   7.042   5.047  -1.948
  139   2HB   LEU  14          1HB       LEU  14   7.442   3.377  -1.599
  140    HG   LEU  14           HG       LEU  14   4.965   2.892  -2.192
  141   1HD1  LEU  14          1HD1      LEU  14   4.009   5.024  -2.310
  142   2HD1  LEU  14          2HD1      LEU  14   4.205   4.535  -3.993
  143   3HD1  LEU  14          3HD1      LEU  14   5.345   5.667  -3.266
  144   1HD2  LEU  14          1HD2      LEU  14   7.353   2.935  -3.656
  145   2HD2  LEU  14          2HD2      LEU  14   6.119   3.605  -4.721
  146   3HD2  LEU  14          3HD2      LEU  14   5.892   2.010  -4.005
  147    H    ILE  15           H        ILE  15   5.707   1.907   0.584
  148    HA   ILE  15           HA       ILE  15   2.779   2.187   0.476
  149    HB   ILE  15           HB       ILE  15   4.038   0.659  -1.259
  150   1HG1  ILE  15          2HG1      ILE  15   1.734   0.721  -1.468
  151   2HG1  ILE  15          1HG1      ILE  15   2.014  -0.973  -1.088
  152   1HG2  ILE  15          1HG2      ILE  15   3.864  -1.761  -0.334
  153   2HG2  ILE  15          2HG2      ILE  15   4.069  -0.977   1.232
  154   3HG2  ILE  15          3HG2      ILE  15   5.306  -0.795  -0.012
  155   1HD1  ILE  15          1HD1      ILE  15   1.299  -0.666   1.155
  156   2HD1  ILE  15          2HD1      ILE  15   0.097   0.088   0.105
  157   3HD1  ILE  15          3HD1      ILE  15   1.270   1.090   0.966
  158    H    THR  16           H        THR  16   5.487   0.513   2.030
  159    HA   THR  16           HA       THR  16   4.134  -0.874   4.010
  160    HB   THR  16           HB       THR  16   6.874   0.297   3.774
  161    HG1  THR  16           1HG      THR  16   6.198  -2.338   4.442
  162   1HG2  THR  16          1HG2      THR  16   7.469  -0.900   5.920
  163   2HG2  THR  16          2HG2      THR  16   5.751  -0.828   6.311
  164   3HG2  THR  16          3HG2      THR  16   6.663   0.662   6.071
  165    H    ILE  17           H        ILE  17   5.950   2.036   4.636
  166    HA   ILE  17           HA       ILE  17   4.327   2.691   6.954
  167    HB   ILE  17           HB       ILE  17   6.677   2.696   7.275
  168   1HG1  ILE  17          2HG1      ILE  17   7.155   5.237   7.587
  169   2HG1  ILE  17          1HG1      ILE  17   5.483   5.450   7.075
  170   1HG2  ILE  17          1HG2      ILE  17   7.407   2.761   5.008
  171   2HG2  ILE  17          2HG2      ILE  17   8.160   4.130   5.846
  172   3HG2  ILE  17          3HG2      ILE  17   6.765   4.400   4.786
  173   1HD1  ILE  17          1HD1      ILE  17   6.124   3.547   9.281
  174   2HD1  ILE  17          2HD1      ILE  17   4.639   4.455   8.958
  175   3HD1  ILE  17          3HD1      ILE  17   6.059   5.286   9.594
  176    H    HIS  18           H        HIS  18   5.389   4.198   3.934
  177    HA   HIS  18           HA       HIS  18   4.385   6.731   4.310
  178   1HB   HIS  18          2HB       HIS  18   5.777   6.519   2.468
  179   2HB   HIS  18          1HB       HIS  18   4.978   5.045   1.914
  180    HD1  HIS  18           1HD      HIS  18   2.444   5.503   1.035
  181    HD2  HIS  18           2HD      HIS  18   5.083   8.700   0.991
  182    HE1  HIS  18           1HE      HIS  18   1.451   7.166  -0.582
  183    HE2  HIS  18           2HE      HIS  18   3.005   9.151  -0.486
  184    H    ASP  19           H        ASP  19   2.676   3.815   3.513
  185    HA   ASP  19           HA       ASP  19   0.334   5.103   2.519
  186   1HB   ASP  19          2HB       ASP  19   0.878   2.840   1.878
  187   2HB   ASP  19          1HB       ASP  19   0.767   2.298   3.546
  188    H    ARG  20           H        ARG  20   1.169   3.618   5.647
  189    HA   ARG  20           HA       ARG  20  -1.296   4.047   6.894
  190   1HB   ARG  20          2HB       ARG  20  -0.242   3.500   8.909
  191   2HB   ARG  20          1HB       ARG  20   0.729   2.673   7.700
  192   1HG   ARG  20          2HG       ARG  20   2.557   3.842   8.203
  193   2HG   ARG  20          1HG       ARG  20   1.675   5.367   8.276
  194   1HD   ARG  20          2HD       ARG  20   2.702   3.858  10.416
  195   2HD   ARG  20          1HD       ARG  20   1.725   5.323  10.494
  196    HE   ARG  20           HE       ARG  20   0.445   2.681  10.319
  197   1HH1  ARG  20          1HH1      ARG  20   1.002   5.683  12.001
  198   2HH1  ARG  20          2HH1      ARG  20  -0.270   5.423  13.149
  199   1HH2  ARG  20          1HH2      ARG  20  -1.231   2.334  11.825
  200   2HH2  ARG  20          2HH2      ARG  20  -1.537   3.520  13.049
  201    H    LYS  21           H        LYS  21   0.971   6.253   5.827
  202    HA   LYS  21           HA       LYS  21   0.829   8.329   7.707
  203   1HB   LYS  21          2HB       LYS  21   1.343   8.231   4.749
  204   2HB   LYS  21          1HB       LYS  21   1.306   9.766   5.616
  205   1HG   LYS  21          2HG       LYS  21   3.066   8.830   7.134
  206   2HG   LYS  21          1HG       LYS  21   3.167   7.464   6.023
  207   1HD   LYS  21          2HD       LYS  21   3.493   9.280   4.203
  208   2HD   LYS  21          1HD       LYS  21   3.893  10.333   5.561
  209   1HE   LYS  21          2HE       LYS  21   5.279   7.784   4.752
  210   2HE   LYS  21          1HE       LYS  21   5.929   9.422   4.686
  211   1HZ   LYS  21          1HZ       LYS  21   5.763   7.600   6.908
  212   2HZ   LYS  21          2HZ       LYS  21   5.230   9.161   7.280
  213   3HZ   LYS  21          3HZ       LYS  21   6.790   8.925   6.669
  214    H    GLU  22           H        GLU  22  -0.681   8.241   4.545
  215    HA   GLU  22           HA       GLU  22  -2.502  10.306   4.933
  216   1HB   GLU  22          2HB       GLU  22  -3.722   8.891   3.002
  217   2HB   GLU  22          1HB       GLU  22  -2.318   9.899   2.714
  218   1HG   GLU  22          2HG       GLU  22  -0.860   8.041   2.698
  219   2HG   GLU  22          1HG       GLU  22  -2.098   6.979   3.382
  220    H    PHE  23           H        PHE  23  -4.410   7.903   3.735
  221    HA   PHE  23           HA       PHE  23  -5.832   7.564   6.285
  222   1HB   PHE  23          2HB       PHE  23  -6.654   8.595   3.702
  223   2HB   PHE  23          1HB       PHE  23  -7.660   7.246   4.197
  224    HD1  PHE  23           1HD      PHE  23  -7.399  10.677   4.264
  225    HD2  PHE  23           2HD      PHE  23  -8.341   7.408   6.819
  226    HE1  PHE  23           1HE      PHE  23  -8.674  12.191   5.725
  227    HE2  PHE  23           2HE      PHE  23  -9.618   8.915   8.284
  228    HZ   PHE  23           HZ       PHE  23  -9.787  11.311   7.737
  229    H    ALA  24           H        ALA  24  -3.890   5.736   5.564
  230    HA   ALA  24           HA       ALA  24  -4.739   3.575   4.006
  231   1HB   ALA  24          1HB       ALA  24  -2.567   3.242   4.370
  232   2HB   ALA  24          2HB       ALA  24  -3.101   2.391   5.820
  233   3HB   ALA  24          3HB       ALA  24  -2.595   4.078   5.923
  234    H    LYS  25           H        LYS  25  -6.062   4.639   6.881
  235    HA   LYS  25           HA       LYS  25  -6.576   2.407   8.399
  236   1HB   LYS  25          2HB       LYS  25  -9.037   3.809   8.272
  237   2HB   LYS  25          1HB       LYS  25  -7.810   3.889   9.525
  238   1HG   LYS  25          2HG       LYS  25  -7.563   5.542   7.045
  239   2HG   LYS  25          1HG       LYS  25  -8.582   6.062   8.388
  240   1HD   LYS  25          2HD       LYS  25  -6.052   5.202   9.405
  241   2HD   LYS  25          1HD       LYS  25  -5.788   6.361   8.098
  242   1HE   LYS  25          2HE       LYS  25  -6.075   7.885   9.729
  243   2HE   LYS  25          1HE       LYS  25  -7.788   7.578   9.451
  244   1HZ   LYS  25          1HZ       LYS  25  -7.983   6.392  11.363
  245   2HZ   LYS  25          2HZ       LYS  25  -6.740   7.436  11.838
  246   3HZ   LYS  25          3HZ       LYS  25  -6.378   5.858  11.352
  247    H    PHE  26           H        PHE  26  -8.449   3.559   5.609
  248    HA   PHE  26           HA       PHE  26  -9.476   0.826   5.291
  249   1HB   PHE  26          2HB       PHE  26 -11.268   2.458   3.935
  250   2HB   PHE  26          1HB       PHE  26 -11.545   1.657   5.477
  251    HD1  PHE  26           1HD      PHE  26  -9.997   4.763   4.109
  252    HD2  PHE  26           2HD      PHE  26 -12.187   2.935   7.266
  253    HE1  PHE  26           1HE      PHE  26 -10.263   6.954   5.190
  254    HE2  PHE  26           2HE      PHE  26 -12.455   5.121   8.354
  255    HZ   PHE  26           HZ       PHE  26 -11.493   7.138   7.316
  256    H    GLU  27           H        GLU  27  -7.188   2.559   4.156
  257    HA   GLU  27           HA       GLU  27  -7.835   2.632   1.359
  258   1HB   GLU  27          2HB       GLU  27  -5.846   3.760   3.018
  259   2HB   GLU  27          1HB       GLU  27  -5.025   2.808   1.781
  260   1HG   GLU  27          2HG       GLU  27  -7.217   4.354   0.705
  261   2HG   GLU  27          1HG       GLU  27  -6.008   5.365   1.509
  262    H    GLU  28           H        GLU  28  -7.707   0.119   3.071
  263    HA   GLU  28           HA       GLU  28  -6.121  -1.466   1.170
  264   1HB   GLU  28          2HB       GLU  28  -6.543  -1.872   4.135
  265   2HB   GLU  28          1HB       GLU  28  -5.943  -3.144   3.077
  266   1HG   GLU  28          2HG       GLU  28  -4.572  -0.499   3.112
  267   2HG   GLU  28          1HG       GLU  28  -4.298  -1.641   4.428
  268    H    GLU  29           H        GLU  29  -9.082  -0.709   2.566
  269    HA   GLU  29           HA       GLU  29 -10.356  -3.116   1.450
  270   1HB   GLU  29          2HB       GLU  29 -11.553  -1.465   3.659
  271   2HB   GLU  29          1HB       GLU  29 -11.941  -3.116   3.187
  272   1HG   GLU  29          2HG       GLU  29 -10.471  -3.938   4.621
  273   2HG   GLU  29          1HG       GLU  29  -9.185  -2.924   3.969
  274    H    ARG  30           H        ARG  30 -11.087   0.260   2.359
  275    HA   ARG  30           HA       ARG  30 -12.940   0.410   0.078
  276   1HB   ARG  30          2HB       ARG  30 -14.190   0.814   1.993
  277   2HB   ARG  30          1HB       ARG  30 -12.889   1.714   2.766
  278   1HG   ARG  30          2HG       ARG  30 -14.461   3.326   2.212
  279   2HG   ARG  30          1HG       ARG  30 -13.243   3.459   0.942
  280   1HD   ARG  30          2HD       ARG  30 -15.251   3.512  -0.234
  281   2HD   ARG  30          1HD       ARG  30 -14.758   1.824  -0.359
  282    HE   ARG  30           HE       ARG  30 -16.677   2.683   1.699
  283   1HH1  ARG  30          1HH1      ARG  30 -15.840   0.702  -1.045
  284   2HH1  ARG  30          2HH1      ARG  30 -17.256  -0.287  -0.924
  285   1HH2  ARG  30          1HH2      ARG  30 -18.544   1.382   1.865
  286   2HH2  ARG  30          2HH2      ARG  30 -18.791   0.098   0.730
  287    H    ALA  31           H        ALA  31 -11.016   2.766   1.952
  288    HA   ALA  31           HA       ALA  31 -10.932   4.781   0.106
  289   1HB   ALA  31          1HB       ALA  31  -8.720   5.412   1.151
  290   2HB   ALA  31          2HB       ALA  31  -8.900   3.969   2.149
  291   3HB   ALA  31          3HB       ALA  31 -10.102   5.260   2.240
  292    H    ARG  32           H        ARG  32  -9.636   1.745  -0.385
  293    HA   ARG  32           HA       ARG  32  -7.533   2.693  -2.176
  294   1HB   ARG  32          2HB       ARG  32  -7.511   0.596  -0.539
  295   2HB   ARG  32          1HB       ARG  32  -8.190  -0.187  -1.949
  296   1HG   ARG  32          2HG       ARG  32  -5.556   1.254  -1.764
  297   2HG   ARG  32          1HG       ARG  32  -5.813  -0.485  -1.963
  298   1HD   ARG  32          2HD       ARG  32  -7.110   1.276  -3.945
  299   2HD   ARG  32          1HD       ARG  32  -5.340   1.194  -4.013
  300    HE   ARG  32           HE       ARG  32  -7.212  -0.987  -4.540
  301   1HH1  ARG  32          1HH1      ARG  32  -3.911   0.095  -4.220
  302   2HH1  ARG  32          2HH1      ARG  32  -3.249  -1.275  -5.047
  303   1HH2  ARG  32          1HH2      ARG  32  -6.344  -2.790  -5.629
  304   2HH2  ARG  32          2HH2      ARG  32  -4.630  -2.914  -5.847
  305    H    ALA  33           H        ALA  33 -10.467   0.702  -2.214
  306    HA   ALA  33           HA       ALA  33 -10.470   0.122  -4.927
  307   1HB   ALA  33          1HB       ALA  33 -11.999  -1.068  -3.768
  308   2HB   ALA  33          2HB       ALA  33 -13.045   0.100  -4.578
  309   3HB   ALA  33          3HB       ALA  33 -12.613   0.325  -2.879
  310    H    LYS  34           H        LYS  34 -10.713   3.086  -3.418
  311    HA   LYS  34           HA       LYS  34 -12.376   4.561  -5.156
  312   1HB   LYS  34          2HB       LYS  34  -9.844   5.669  -3.944
  313   2HB   LYS  34          1HB       LYS  34 -11.386   6.486  -4.199
  314   1HG   LYS  34          2HG       LYS  34 -10.913   4.271  -2.226
  315   2HG   LYS  34          1HG       LYS  34 -10.859   5.998  -1.836
  316   1HD   LYS  34          2HD       LYS  34 -13.202   6.157  -2.758
  317   2HD   LYS  34          1HD       LYS  34 -13.207   4.396  -2.792
  318   1HE   LYS  34          2HE       LYS  34 -14.266   5.323  -0.761
  319   2HE   LYS  34          1HE       LYS  34 -12.874   4.299  -0.408
  320   1HZ   LYS  34          1HZ       LYS  34 -12.691   6.206   0.947
  321   2HZ   LYS  34          2HZ       LYS  34 -13.004   7.259  -0.339
  322   3HZ   LYS  34          3HZ       LYS  34 -11.547   6.403  -0.283
  323    H    TRP  35           H        TRP  35  -9.030   3.671  -5.118
  324    HA   TRP  35           HA       TRP  35  -8.298   4.933  -7.580
  325   1HB   TRP  35          2HB       TRP  35  -6.747   2.700  -6.319
  326   2HB   TRP  35          1HB       TRP  35  -6.146   4.161  -7.113
  327    HD1  TRP  35           HD       TRP  35  -5.478   2.937  -4.112
  328    HE1  TRP  35           1HE      TRP  35  -5.629   4.545  -2.139
  329    HE3  TRP  35           3HE      TRP  35  -8.438   6.545  -6.197
  330    HZ2  TRP  35           2HZ      TRP  35  -6.838   6.968  -1.506
  331    HZ3  TRP  35           3HZ      TRP  35  -9.071   8.477  -4.811
  332    HH2  TRP  35           HH       TRP  35  -8.274   8.696  -2.511
  333    H    ASP  36           H        ASP  36  -9.276   1.771  -6.476
  334    HA   ASP  36           HA       ASP  36  -8.631   0.204  -8.678
  335   1HB   ASP  36          2HB       ASP  36 -10.298  -0.005  -6.322
  336   2HB   ASP  36          1HB       ASP  36 -11.023  -0.835  -7.699
  Start of MODEL   14
    1   1H    MET   1          1HT       MET   1  14.521  -5.442   8.926
    2   2H    MET   1          2HT       MET   1  13.341  -6.196   9.876
    3   3H    MET   1          3HT       MET   1  14.573  -5.302  10.611
    4    HA   MET   1           HA       MET   1  13.745  -3.268   9.750
    5   1HB   MET   1          2HB       MET   1  11.321  -3.886   8.559
    6   2HB   MET   1          1HB       MET   1  12.784  -3.346   7.752
    7   1HG   MET   1          2HG       MET   1  12.022  -5.267   6.623
    8   2HG   MET   1          1HG       MET   1  13.453  -5.738   7.537
    9   1HE   MET   1          1HE       MET   1  10.105  -4.817   8.663
   10   2HE   MET   1          2HE       MET   1   9.918  -5.940  10.015
   11   3HE   MET   1          3HE       MET   1   9.144  -6.286   8.468
   12    H    TRP   2           H        TRP   2  10.783  -3.087   9.749
   13    HA   TRP   2           HA       TRP   2  10.316  -3.768  12.580
   14   1HB   TRP   2          2HB       TRP   2   8.699  -1.560  11.610
   15   2HB   TRP   2          1HB       TRP   2   9.780  -1.620  13.013
   16    HD1  TRP   2           HD       TRP   2  12.098  -0.343  12.726
   17    HE1  TRP   2           1HE      TRP   2  13.159   0.963  10.763
   18    HE3  TRP   2           3HE      TRP   2   8.796  -1.597   9.107
   19    HZ2  TRP   2           2HZ      TRP   2  12.610   1.375   7.997
   20    HZ3  TRP   2           3HZ      TRP   2   9.099  -0.743   6.844
   21    HH2  TRP   2           HH       TRP   2  10.977   0.712   6.290
   22    H    LYS   3           H        LYS   3   8.223  -2.518   9.983
   23    HA   LYS   3           HA       LYS   3   6.439  -4.791  10.456
   24   1HB   LYS   3          2HB       LYS   3   4.549  -3.306   9.974
   25   2HB   LYS   3          1HB       LYS   3   5.464  -2.791  11.380
   26   1HG   LYS   3          2HG       LYS   3   5.869  -1.625   8.638
   27   2HG   LYS   3          1HG       LYS   3   4.715  -0.976   9.809
   28   1HD   LYS   3          2HD       LYS   3   6.544  -0.649  11.404
   29   2HD   LYS   3          1HD       LYS   3   7.669  -1.297  10.203
   30   1HE   LYS   3          2HE       LYS   3   7.395   1.280  10.457
   31   2HE   LYS   3          1HE       LYS   3   7.519   0.551   8.856
   32   1HZ   LYS   3          1HZ       LYS   3   5.003   1.356  10.217
   33   2HZ   LYS   3          2HZ       LYS   3   5.093   0.610   8.701
   34   3HZ   LYS   3          3HZ       LYS   3   5.735   2.158   8.920
   35    H    VAL   4           H        VAL   4   7.960  -2.811   8.099
   36    HA   VAL   4           HA       VAL   4   6.644  -3.025   5.792
   37    HB   VAL   4           HB       VAL   4   8.699  -1.994   5.639
   38   1HG1  VAL   4          1HG1      VAL   4  10.822  -3.098   6.180
   39   2HG1  VAL   4          2HG1      VAL   4   9.923  -4.536   6.670
   40   3HG1  VAL   4          3HG1      VAL   4   9.729  -3.025   7.561
   41   1HG2  VAL   4          1HG2      VAL   4   9.823  -2.977   3.825
   42   2HG2  VAL   4          2HG2      VAL   4   8.151  -3.526   3.681
   43   3HG2  VAL   4          3HG2      VAL   4   9.384  -4.606   4.337
   44    H    GLY   5           H        GLY   5   8.493  -5.683   7.228
   45   1HA   GLY   5          2HA       GLY   5   8.640  -7.585   5.394
   46   2HA   GLY   5          1HA       GLY   5   8.039  -7.973   6.999
   47    H    PHE   6           H        PHE   6   5.629  -6.685   6.975
   48    HA   PHE   6           HA       PHE   6   4.212  -8.004   4.811
   49   1HB   PHE   6          2HB       PHE   6   2.816  -7.493   7.292
   50   2HB   PHE   6          1HB       PHE   6   2.657  -8.859   6.215
   51    HD1  PHE   6           1HD      PHE   6   4.279  -7.530   9.172
   52    HD2  PHE   6           2HD      PHE   6   4.251 -10.735   6.372
   53    HE1  PHE   6           1HE      PHE   6   5.621  -8.891  10.722
   54    HE2  PHE   6           2HE      PHE   6   5.593 -12.101   7.917
   55    HZ   PHE   6           HZ       PHE   6   6.279 -11.180  10.095
   56    H    PHE   7           H        PHE   7   5.034  -5.101   6.221
   57    HA   PHE   7           HA       PHE   7   2.525  -3.786   5.736
   58   1HB   PHE   7          2HB       PHE   7   5.111  -3.097   6.951
   59   2HB   PHE   7          1HB       PHE   7   4.260  -1.757   6.169
   60    HD1  PHE   7           1HD      PHE   7   3.149  -4.709   8.132
   61    HD2  PHE   7           2HD      PHE   7   3.176  -0.480   7.732
   62    HE1  PHE   7           1HE      PHE   7   1.637  -4.525  10.068
   63    HE2  PHE   7           2HE      PHE   7   1.674  -0.279   9.673
   64    HZ   PHE   7           HZ       PHE   7   0.898  -2.304  10.837
   65    H    LYS   8           H        LYS   8   5.426  -4.307   3.992
   66    HA   LYS   8           HA       LYS   8   5.196  -2.167   2.154
   67   1HB   LYS   8          2HB       LYS   8   6.821  -3.400   0.833
   68   2HB   LYS   8          1HB       LYS   8   7.259  -3.515   2.536
   69   1HG   LYS   8          2HG       LYS   8   5.676  -5.675   2.274
   70   2HG   LYS   8          1HG       LYS   8   6.411  -5.600   0.667
   71   1HD   LYS   8          2HD       LYS   8   8.641  -5.462   1.804
   72   2HD   LYS   8          1HD       LYS   8   7.800  -5.779   3.332
   73   1HE   LYS   8          2HE       LYS   8   7.935  -7.955   2.899
   74   2HE   LYS   8          1HE       LYS   8   6.871  -7.699   1.512
   75   1HZ   LYS   8          1HZ       LYS   8   9.255  -6.945   0.535
   76   2HZ   LYS   8          2HZ       LYS   8   8.601  -8.493   0.359
   77   3HZ   LYS   8          3HZ       LYS   8   9.721  -8.183   1.589
   78    H    ARG   9           H        ARG   9   3.677  -5.232   2.554
   79    HA   ARG   9           HA       ARG   9   2.393  -5.035  -0.081
   80   1HB   ARG   9          2HB       ARG   9   2.042  -7.533   1.433
   81   2HB   ARG   9          1HB       ARG   9   2.399  -7.292  -0.270
   82   1HG   ARG   9          2HG       ARG   9   4.391  -8.153   0.257
   83   2HG   ARG   9          1HG       ARG   9   4.743  -6.538   0.876
   84   1HD   ARG   9          2HD       ARG   9   5.338  -7.973   2.628
   85   2HD   ARG   9          1HD       ARG   9   3.749  -7.358   3.080
   86    HE   ARG   9           HE       ARG   9   2.827  -9.468   2.649
   87   1HH1  ARG   9          1HH1      ARG   9   6.259  -9.396   2.037
   88   2HH1  ARG   9          2HH1      ARG   9   6.422 -11.120   2.036
   89   1HH2  ARG   9          1HH2      ARG   9   3.037 -11.735   2.648
   90   2HH2  ARG   9          2HH2      ARG   9   4.593 -12.449   2.383
   91    H    ASN  10           H        ASN  10   1.586  -6.464   3.081
   92    HA   ASN  10           HA       ASN  10  -1.166  -6.224   2.857
   93   1HB   ASN  10          2HB       ASN  10   0.557  -7.270   4.681
   94   2HB   ASN  10          1HB       ASN  10  -0.235  -5.986   5.581
   95   1HD2  ASN  10          1HD2      ASN  10  -0.446  -8.833   5.971
   96   2HD2  ASN  10          2HD2      ASN  10  -2.113  -9.241   5.762
   97    H    ARG  11           H        ARG  11   0.477  -4.460   5.393
   98    HA   ARG  11           HA       ARG  11  -1.394  -2.292   5.213
   99   1HB   ARG  11          2HB       ARG  11   0.358  -3.363   7.153
  100   2HB   ARG  11          1HB       ARG  11   0.753  -1.669   6.919
  101   1HG   ARG  11          2HG       ARG  11  -2.092  -2.457   7.288
  102   2HG   ARG  11          1HG       ARG  11  -1.022  -2.349   8.687
  103   1HD   ARG  11          2HD       ARG  11  -2.033  -0.209   6.891
  104   2HD   ARG  11          1HD       ARG  11  -1.815  -0.206   8.641
  105    HE   ARG  11           HE       ARG  11   0.714  -0.265   7.789
  106   1HH1  ARG  11          1HH1      ARG  11  -1.977   1.704   6.801
  107   2HH1  ARG  11          2HH1      ARG  11  -0.990   3.060   6.371
  108   1HH2  ARG  11          1HH2      ARG  11   2.020   1.513   7.236
  109   2HH2  ARG  11          2HH2      ARG  11   1.283   2.952   6.619
  110   1H    LYS  12          1HT       LYS  12  11.086  -0.113   0.994
  111   2H    LYS  12          2HT       LYS  12  10.623   1.512   0.927
  112   3H    LYS  12          3HT       LYS  12   9.945   0.395  -0.147
  113    HA   LYS  12           HA       LYS  12   8.398  -0.252   1.277
  114   1HB   LYS  12          2HB       LYS  12   8.944  -1.272   3.276
  115   2HB   LYS  12          1HB       LYS  12  10.515  -1.277   2.488
  116   1HG   LYS  12          2HG       LYS  12   9.589   0.789   4.479
  117   2HG   LYS  12          1HG       LYS  12  10.603  -0.608   4.856
  118   1HD   LYS  12          2HD       LYS  12  11.321   1.572   2.896
  119   2HD   LYS  12          1HD       LYS  12  11.915   1.462   4.553
  120   1HE   LYS  12          2HE       LYS  12  12.345  -0.597   2.392
  121   2HE   LYS  12          1HE       LYS  12  13.534   0.596   2.916
  122   1HZ   LYS  12          1HZ       LYS  12  13.460  -0.392   5.137
  123   2HZ   LYS  12          2HZ       LYS  12  13.944  -1.519   3.971
  124   3HZ   LYS  12          3HZ       LYS  12  12.370  -1.565   4.589
  125    H    LEU  13           H        LEU  13  10.375   2.507   2.034
  126    HA   LEU  13           HA       LEU  13   8.472   3.672   3.835
  127   1HB   LEU  13          2HB       LEU  13  11.151   4.149   3.188
  128   2HB   LEU  13          1HB       LEU  13  10.291   5.593   2.682
  129    HG   LEU  13           HG       LEU  13   9.308   4.938   5.245
  130   1HD1  LEU  13          1HD1      LEU  13  12.190   4.373   4.913
  131   2HD1  LEU  13          2HD1      LEU  13  11.025   3.715   6.064
  132   3HD1  LEU  13          3HD1      LEU  13  11.716   5.317   6.324
  133   1HD2  LEU  13          1HD2      LEU  13   9.357   7.171   4.541
  134   2HD2  LEU  13          2HD2      LEU  13  11.072   7.096   4.131
  135   3HD2  LEU  13          3HD2      LEU  13  10.568   7.077   5.821
  136    H    LEU  14           H        LEU  14   7.441   2.899   1.304
  137    HA   LEU  14           HA       LEU  14   6.371   5.480   0.418
  138   1HB   LEU  14          2HB       LEU  14   7.460   5.169  -1.525
  139   2HB   LEU  14          1HB       LEU  14   7.822   3.495  -1.156
  140    HG   LEU  14           HG       LEU  14   5.383   3.016  -1.832
  141   1HD1  LEU  14          1HD1      LEU  14   4.405   5.141  -1.925
  142   2HD1  LEU  14          2HD1      LEU  14   4.639   4.692  -3.614
  143   3HD1  LEU  14          3HD1      LEU  14   5.751   5.820  -2.839
  144   1HD2  LEU  14          1HD2      LEU  14   6.114   2.419  -3.908
  145   2HD2  LEU  14          2HD2      LEU  14   7.667   2.731  -3.135
  146   3HD2  LEU  14          3HD2      LEU  14   6.942   3.951  -4.182
  147    H    ILE  15           H        ILE  15   6.011   2.087   1.014
  148    HA   ILE  15           HA       ILE  15   3.089   2.375   0.805
  149    HB   ILE  15           HB       ILE  15   3.501   0.869  -0.891
  150   1HG1  ILE  15          2HG1      ILE  15   2.810  -1.333  -0.156
  151   2HG1  ILE  15          1HG1      ILE  15   3.333  -0.990   1.489
  152   1HG2  ILE  15          1HG2      ILE  15   5.199  -1.144  -0.145
  153   2HG2  ILE  15          2HG2      ILE  15   5.913   0.266   0.637
  154   3HG2  ILE  15          3HG2      ILE  15   5.642   0.267  -1.105
  155   1HD1  ILE  15          1HD1      ILE  15   1.079  -0.695   1.654
  156   2HD1  ILE  15          2HD1      ILE  15   0.930  -0.034   0.024
  157   3HD1  ILE  15          3HD1      ILE  15   1.611   0.957   1.320
  158    H    THR  16           H        THR  16   5.550   0.279   2.278
  159    HA   THR  16           HA       THR  16   4.230  -0.935   4.279
  160    HB   THR  16           HB       THR  16   6.985   0.161   4.054
  161    HG1  THR  16           1HG      THR  16   7.374  -1.835   3.637
  162   1HG2  THR  16          1HG2      THR  16   6.786   0.591   6.344
  163   2HG2  THR  16          2HG2      THR  16   7.554  -0.991   6.229
  164   3HG2  THR  16          3HG2      THR  16   5.840  -0.871   6.621
  165    H    ILE  17           H        ILE  17   5.889   2.126   4.784
  166    HA   ILE  17           HA       ILE  17   4.300   2.632   7.193
  167    HB   ILE  17           HB       ILE  17   6.619   2.672   7.594
  168   1HG1  ILE  17          2HG1      ILE  17   7.099   5.255   7.804
  169   2HG1  ILE  17          1HG1      ILE  17   5.404   5.404   7.350
  170   1HG2  ILE  17          1HG2      ILE  17   7.424   2.680   5.354
  171   2HG2  ILE  17          2HG2      ILE  17   8.154   4.071   6.180
  172   3HG2  ILE  17          3HG2      ILE  17   6.792   4.315   5.071
  173   1HD1  ILE  17          1HD1      ILE  17   6.108   3.538   9.550
  174   2HD1  ILE  17          2HD1      ILE  17   4.661   4.523   9.307
  175   3HD1  ILE  17          3HD1      ILE  17   6.156   5.277   9.863
  176    H    HIS  18           H        HIS  18   5.389   4.218   4.235
  177    HA   HIS  18           HA       HIS  18   4.330   6.730   4.658
  178   1HB   HIS  18          2HB       HIS  18   5.844   6.552   2.899
  179   2HB   HIS  18          1HB       HIS  18   5.050   5.124   2.235
  180    HD1  HIS  18           1HD      HIS  18   2.628   5.644   1.180
  181    HD2  HIS  18           2HD      HIS  18   5.241   8.839   1.544
  182    HE1  HIS  18           1HE      HIS  18   1.755   7.405  -0.406
  183    HE2  HIS  18           2HE      HIS  18   3.435   9.281  -0.257
  184    H    ASP  19           H        ASP  19   2.615   3.840   4.176
  185    HA   ASP  19           HA       ASP  19   0.361   4.964   2.820
  186   1HB   ASP  19          2HB       ASP  19   0.756   2.648   2.550
  187   2HB   ASP  19          1HB       ASP  19   0.752   2.361   4.282
  188    H    ARG  20           H        ARG  20   1.143   4.317   6.218
  189    HA   ARG  20           HA       ARG  20  -1.440   4.917   7.219
  190   1HB   ARG  20          2HB       ARG  20  -0.415   5.010   9.392
  191   2HB   ARG  20          1HB       ARG  20   0.351   3.708   8.493
  192   1HG   ARG  20          2HG       ARG  20   2.215   5.262   7.955
  193   2HG   ARG  20          1HG       ARG  20   1.468   6.447   9.024
  194   1HD   ARG  20          2HD       ARG  20   2.554   3.734   9.756
  195   2HD   ARG  20          1HD       ARG  20   3.161   5.309  10.268
  196    HE   ARG  20           HE       ARG  20   0.699   5.382  11.257
  197   1HH1  ARG  20          1HH1      ARG  20   3.074   2.832  11.322
  198   2HH1  ARG  20          2HH1      ARG  20   2.513   2.172  12.821
  199   1HH2  ARG  20          1HH2      ARG  20  -0.047   4.519  13.227
  200   2HH2  ARG  20          2HH2      ARG  20   0.738   3.132  13.906
  201    H    LYS  21           H        LYS  21   0.807   6.784   5.699
  202    HA   LYS  21           HA       LYS  21   0.577   9.258   7.087
  203   1HB   LYS  21          2HB       LYS  21   1.442   8.501   4.300
  204   2HB   LYS  21          1HB       LYS  21   1.479  10.164   4.893
  205   1HG   LYS  21          2HG       LYS  21   3.018   9.487   6.665
  206   2HG   LYS  21          1HG       LYS  21   2.965   7.832   6.051
  207   1HD   LYS  21          2HD       LYS  21   4.739   8.414   4.811
  208   2HD   LYS  21          1HD       LYS  21   3.576   9.283   3.806
  209   1HE   LYS  21          2HE       LYS  21   4.353  11.278   4.453
  210   2HE   LYS  21          1HE       LYS  21   4.414  10.798   6.149
  211   1HZ   LYS  21          1HZ       LYS  21   6.553  11.167   4.455
  212   2HZ   LYS  21          2HZ       LYS  21   6.441   9.491   4.653
  213   3HZ   LYS  21          3HZ       LYS  21   6.591  10.492   6.007
  214    H    GLU  22           H        GLU  22  -0.626   8.180   3.958
  215    HA   GLU  22           HA       GLU  22  -2.358  10.341   3.510
  216   1HB   GLU  22          2HB       GLU  22  -3.448   8.418   1.963
  217   2HB   GLU  22          1HB       GLU  22  -2.021   9.329   1.521
  218   1HG   GLU  22          2HG       GLU  22  -0.576   7.563   2.197
  219   2HG   GLU  22          1HG       GLU  22  -1.914   6.694   2.962
  220    H    PHE  23           H        PHE  23  -4.248   7.727   2.860
  221    HA   PHE  23           HA       PHE  23  -5.882   8.142   5.265
  222   1HB   PHE  23          2HB       PHE  23  -6.460   8.361   2.413
  223   2HB   PHE  23          1HB       PHE  23  -7.600   7.336   3.264
  224    HD1  PHE  23           1HD      PHE  23  -6.347  10.713   2.816
  225    HD2  PHE  23           2HD      PHE  23  -9.022   8.258   5.033
  226    HE1  PHE  23           1HE      PHE  23  -7.518  12.722   3.619
  227    HE2  PHE  23           2HE      PHE  23 -10.200  10.262   5.840
  228    HZ   PHE  23           HZ       PHE  23  -9.449  12.498   5.132
  229    H    ALA  24           H        ALA  24  -4.052   6.158   5.404
  230    HA   ALA  24           HA       ALA  24  -4.826   3.660   4.388
  231   1HB   ALA  24          1HB       ALA  24  -2.642   3.745   5.147
  232   2HB   ALA  24          2HB       ALA  24  -3.461   2.791   6.386
  233   3HB   ALA  24          3HB       ALA  24  -3.098   4.493   6.680
  234    H    LYS  25           H        LYS  25  -6.354   5.583   6.666
  235    HA   LYS  25           HA       LYS  25  -7.277   3.965   8.660
  236   1HB   LYS  25          2HB       LYS  25  -9.584   5.315   7.871
  237   2HB   LYS  25          1HB       LYS  25  -8.395   5.867   9.040
  238   1HG   LYS  25          2HG       LYS  25  -7.932   6.401   6.147
  239   2HG   LYS  25          1HG       LYS  25  -9.104   7.379   7.033
  240   1HD   LYS  25          2HD       LYS  25  -6.691   7.093   8.567
  241   2HD   LYS  25          1HD       LYS  25  -6.315   7.696   6.951
  242   1HE   LYS  25          2HE       LYS  25  -6.917   9.354   8.887
  243   2HE   LYS  25          1HE       LYS  25  -7.511   9.634   7.251
  244   1HZ   LYS  25          1HZ       LYS  25  -9.170   9.836   9.138
  245   2HZ   LYS  25          2HZ       LYS  25  -9.104   8.149   9.250
  246   3HZ   LYS  25          3HZ       LYS  25  -9.633   8.882   7.820
  247    H    PHE  26           H        PHE  26  -8.804   4.317   5.457
  248    HA   PHE  26           HA       PHE  26  -9.907   1.622   5.817
  249   1HB   PHE  26          2HB       PHE  26 -11.587   2.692   3.969
  250   2HB   PHE  26          1HB       PHE  26 -11.924   2.629   5.695
  251    HD1  PHE  26           1HD      PHE  26 -12.436   4.576   6.813
  252    HD2  PHE  26           2HD      PHE  26 -10.310   4.792   3.137
  253    HE1  PHE  26           1HE      PHE  26 -12.616   7.027   6.858
  254    HE2  PHE  26           2HE      PHE  26 -10.483   7.241   3.174
  255    HZ   PHE  26           HZ       PHE  26 -11.637   8.366   5.037
  256    H    GLU  27           H        GLU  27  -7.405   2.655   4.570
  257    HA   GLU  27           HA       GLU  27  -7.772   2.140   1.763
  258   1HB   GLU  27          2HB       GLU  27  -5.761   3.304   3.390
  259   2HB   GLU  27          1HB       GLU  27  -5.030   1.981   2.484
  260   1HG   GLU  27          2HG       GLU  27  -6.740   3.411   0.741
  261   2HG   GLU  27          1HG       GLU  27  -5.716   4.566   1.594
  262    H    GLU  28           H        GLU  28  -8.080   0.203   4.183
  263    HA   GLU  28           HA       GLU  28  -6.786  -2.072   2.846
  264   1HB   GLU  28          2HB       GLU  28  -7.135  -1.455   5.772
  265   2HB   GLU  28          1HB       GLU  28  -6.946  -3.118   5.218
  266   1HG   GLU  28          2HG       GLU  28  -4.997  -0.937   4.540
  267   2HG   GLU  28          1HG       GLU  28  -4.852  -1.942   5.984
  268    H    GLU  29           H        GLU  29  -9.543  -0.476   3.406
  269    HA   GLU  29           HA       GLU  29 -11.211  -2.897   3.311
  270   1HB   GLU  29          2HB       GLU  29 -11.927  -0.192   4.467
  271   2HB   GLU  29          1HB       GLU  29 -12.991  -1.593   4.393
  272   1HG   GLU  29          2HG       GLU  29 -10.368  -1.821   5.787
  273   2HG   GLU  29          1HG       GLU  29 -11.714  -1.010   6.587
  274    H    ARG  30           H        ARG  30 -11.499   0.593   2.575
  275    HA   ARG  30           HA       ARG  30 -12.697  -0.143  -0.017
  276   1HB   ARG  30          2HB       ARG  30 -14.512   0.850   0.874
  277   2HB   ARG  30          1HB       ARG  30 -13.570   1.716   2.080
  278   1HG   ARG  30          2HG       ARG  30 -14.465   3.391   0.756
  279   2HG   ARG  30          1HG       ARG  30 -12.817   3.216   0.146
  280   1HD   ARG  30          2HD       ARG  30 -13.913   3.188  -1.842
  281   2HD   ARG  30          1HD       ARG  30 -14.048   1.473  -1.457
  282    HE   ARG  30           HE       ARG  30 -16.311   1.869  -0.761
  283   1HH1  ARG  30          1HH1      ARG  30 -14.770   4.529  -2.403
  284   2HH1  ARG  30          2HH1      ARG  30 -16.262   5.285  -2.851
  285   1HH2  ARG  30          1HH2      ARG  30 -18.278   2.855  -1.344
  286   2HH2  ARG  30          2HH2      ARG  30 -18.258   4.333  -2.249
  287    H    ALA  31           H        ALA  31 -10.894   2.448   1.642
  288    HA   ALA  31           HA       ALA  31 -10.295   4.027  -0.543
  289   1HB   ALA  31          1HB       ALA  31  -8.197   4.637   0.760
  290   2HB   ALA  31          2HB       ALA  31  -8.793   3.523   1.990
  291   3HB   ALA  31          3HB       ALA  31  -9.760   4.929   1.533
  292    H    ARG  32           H        ARG  32  -9.446   0.854  -0.291
  293    HA   ARG  32           HA       ARG  32  -6.900   1.188  -1.688
  294   1HB   ARG  32          2HB       ARG  32  -7.524  -0.547   0.237
  295   2HB   ARG  32          1HB       ARG  32  -7.996  -1.506  -1.152
  296   1HG   ARG  32          2HG       ARG  32  -5.293  -0.258  -0.701
  297   2HG   ARG  32          1HG       ARG  32  -5.700  -1.973  -0.491
  298   1HD   ARG  32          2HD       ARG  32  -6.342  -0.648  -3.077
  299   2HD   ARG  32          1HD       ARG  32  -4.653  -1.082  -2.748
  300    HE   ARG  32           HE       ARG  32  -6.886  -3.015  -2.795
  301   1HH1  ARG  32          1HH1      ARG  32  -3.536  -2.196  -3.301
  302   2HH1  ARG  32          2HH1      ARG  32  -3.115  -3.760  -3.912
  303   1HH2  ARG  32          1HH2      ARG  32  -6.341  -5.073  -3.596
  304   2HH2  ARG  32          2HH2      ARG  32  -4.709  -5.397  -4.081
  305    H    ALA  33           H        ALA  33 -10.044  -0.405  -2.045
  306    HA   ALA  33           HA       ALA  33  -9.609  -1.497  -4.562
  307   1HB   ALA  33          1HB       ALA  33 -11.509  -2.216  -3.515
  308   2HB   ALA  33          2HB       ALA  33 -12.152  -1.201  -4.810
  309   3HB   ALA  33          3HB       ALA  33 -12.081  -0.588  -3.153
  310    H    LYS  34           H        LYS  34  -9.637   1.704  -3.641
  311    HA   LYS  34           HA       LYS  34 -10.671   3.041  -5.899
  312   1HB   LYS  34          2HB       LYS  34  -8.241   3.994  -4.381
  313   2HB   LYS  34          1HB       LYS  34  -9.551   4.953  -5.069
  314   1HG   LYS  34          2HG       LYS  34  -9.887   3.081  -2.749
  315   2HG   LYS  34          1HG       LYS  34  -9.481   4.795  -2.574
  316   1HD   LYS  34          2HD       LYS  34 -11.536   5.267  -3.998
  317   2HD   LYS  34          1HD       LYS  34 -11.970   3.585  -3.717
  318   1HE   LYS  34          2HE       LYS  34 -13.118   4.774  -2.054
  319   2HE   LYS  34          1HE       LYS  34 -11.706   4.108  -1.233
  320   1HZ   LYS  34          1HZ       LYS  34 -10.642   6.190  -1.259
  321   2HZ   LYS  34          2HZ       LYS  34 -12.229   6.508  -0.768
  322   3HZ   LYS  34          3HZ       LYS  34 -11.750   6.850  -2.355
  323    H    TRP  35           H        TRP  35  -7.595   1.726  -5.018
  324    HA   TRP  35           HA       TRP  35  -6.203   2.391  -7.422
  325   1HB   TRP  35          2HB       TRP  35  -5.340   0.236  -5.528
  326   2HB   TRP  35          1HB       TRP  35  -4.350   1.431  -6.379
  327    HD1  TRP  35           HD       TRP  35  -4.545   0.691  -3.147
  328    HE1  TRP  35           1HE      TRP  35  -4.794   2.640  -1.526
  329    HE3  TRP  35           3HE      TRP  35  -6.289   4.246  -6.380
  330    HZ2  TRP  35           2HZ      TRP  35  -5.630   5.298  -1.563
  331    HZ3  TRP  35           3HZ      TRP  35  -6.821   6.476  -5.483
  332    HH2  TRP  35           HH       TRP  35  -6.485   6.999  -3.121
  333    H    ASP  36           H        ASP  36  -7.941  -0.339  -6.125
  334    HA   ASP  36           HA       ASP  36  -7.175  -2.412  -7.756
  335   1HB   ASP  36          2HB       ASP  36  -9.255  -1.888  -5.938
  336   2HB   ASP  36          1HB       ASP  36 -10.030  -2.477  -7.407
  Start of MODEL   15
    1   1H    MET   1          1HT       MET   1  15.466  -4.693   7.846
    2   2H    MET   1          2HT       MET   1  14.487  -5.562   8.919
    3   3H    MET   1          3HT       MET   1  15.709  -4.555   9.515
    4    HA   MET   1           HA       MET   1  14.594  -2.608   8.779
    5   1HB   MET   1          2HB       MET   1  12.104  -3.462   7.909
    6   2HB   MET   1          1HB       MET   1  13.389  -2.783   6.925
    7   1HG   MET   1          2HG       MET   1  12.692  -4.764   5.874
    8   2HG   MET   1          1HG       MET   1  14.256  -5.108   6.613
    9   1HE   MET   1          1HE       MET   1  11.003  -4.486   8.146
   10   2HE   MET   1          2HE       MET   1  11.125  -5.598   9.513
   11   3HE   MET   1          3HE       MET   1  10.160  -6.037   8.105
   12    H    TRP   2           H        TRP   2  11.656  -2.696   9.172
   13    HA   TRP   2           HA       TRP   2  11.630  -3.408  12.034
   14   1HB   TRP   2          2HB       TRP   2   9.719  -1.341  11.310
   15   2HB   TRP   2          1HB       TRP   2  10.979  -1.312  12.557
   16    HD1  TRP   2           HD       TRP   2  13.126   0.149  11.981
   17    HE1  TRP   2           1HE      TRP   2  13.813   1.531   9.907
   18    HE3  TRP   2           3HE      TRP   2   9.488  -1.378   8.815
   19    HZ2  TRP   2           2HZ      TRP   2  12.876   1.889   7.241
   20    HZ3  TRP   2           3HZ      TRP   2   9.420  -0.507   6.539
   21    HH2  TRP   2           HH       TRP   2  11.089   1.097   5.756
   22    H    LYS   3           H        LYS   3   9.105  -2.345   9.758
   23    HA   LYS   3           HA       LYS   3   7.595  -4.763  10.443
   24   1HB   LYS   3          2HB       LYS   3   5.542  -3.445  10.212
   25   2HB   LYS   3          1HB       LYS   3   6.582  -2.839  11.491
   26   1HG   LYS   3          2HG       LYS   3   6.525  -1.670   8.721
   27   2HG   LYS   3          1HG       LYS   3   5.485  -1.112  10.035
   28   1HD   LYS   3          2HD       LYS   3   7.456  -0.576  11.366
   29   2HD   LYS   3          1HD       LYS   3   8.484  -1.175  10.058
   30   1HE   LYS   3          2HE       LYS   3   8.046   0.609   8.700
   31   2HE   LYS   3          1HE       LYS   3   6.486   0.943   9.451
   32   1HZ   LYS   3          1HZ       LYS   3   7.798   1.643  11.464
   33   2HZ   LYS   3          2HZ       LYS   3   7.922   2.661  10.120
   34   3HZ   LYS   3          3HZ       LYS   3   9.182   1.595  10.490
   35    H    VAL   4           H        VAL   4   8.603  -2.655   7.923
   36    HA   VAL   4           HA       VAL   4   7.024  -3.015   5.803
   37    HB   VAL   4           HB       VAL   4   8.946  -1.798   5.414
   38   1HG1  VAL   4          1HG1      VAL   4  10.154  -3.274   7.216
   39   2HG1  VAL   4          2HG1      VAL   4  11.076  -2.358   6.023
   40   3HG1  VAL   4          3HG1      VAL   4  10.799  -4.087   5.791
   41   1HG2  VAL   4          1HG2      VAL   4  10.109  -2.872   3.538
   42   2HG2  VAL   4          2HG2      VAL   4   8.357  -3.065   3.428
   43   3HG2  VAL   4          3HG2      VAL   4   9.364  -4.410   3.972
   44    H    GLY   5           H        GLY   5   9.324  -5.462   6.947
   45   1HA   GLY   5          2HA       GLY   5   9.385  -7.352   5.094
   46   2HA   GLY   5          1HA       GLY   5   9.088  -7.787   6.773
   47    H    PHE   6           H        PHE   6   6.585  -6.740   7.132
   48    HA   PHE   6           HA       PHE   6   4.983  -8.226   5.227
   49   1HB   PHE   6          2HB       PHE   6   3.953  -7.818   7.897
   50   2HB   PHE   6          1HB       PHE   6   3.772  -9.214   6.860
   51    HD1  PHE   6           1HD      PHE   6   5.490  -7.809   9.662
   52    HD2  PHE   6           2HD      PHE   6   5.769 -10.767   6.614
   53    HE1  PHE   6           1HE      PHE   6   7.204  -8.991  10.971
   54    HE2  PHE   6           2HE      PHE   6   7.484 -11.955   7.919
   55    HZ   PHE   6           HZ       PHE   6   8.202 -11.067  10.101
   56    H    PHE   7           H        PHE   7   5.721  -5.240   6.456
   57    HA   PHE   7           HA       PHE   7   3.069  -4.147   6.419
   58   1HB   PHE   7          2HB       PHE   7   5.698  -3.282   7.217
   59   2HB   PHE   7          1HB       PHE   7   4.880  -2.036   6.270
   60    HD1  PHE   7           1HD      PHE   7   3.989  -0.448   7.629
   61    HD2  PHE   7           2HD      PHE   7   3.721  -4.528   8.775
   62    HE1  PHE   7           1HE      PHE   7   2.651   0.200   9.591
   63    HE2  PHE   7           2HE      PHE   7   2.381  -3.897  10.744
   64    HZ   PHE   7           HZ       PHE   7   1.842  -1.526  11.150
   65    H    LYS   8           H        LYS   8   5.848  -4.069   4.283
   66    HA   LYS   8           HA       LYS   8   4.988  -2.229   2.411
   67   1HB   LYS   8          2HB       LYS   8   6.515  -3.310   0.886
   68   2HB   LYS   8          1HB       LYS   8   7.213  -3.385   2.503
   69   1HG   LYS   8          2HG       LYS   8   5.802  -5.671   2.456
   70   2HG   LYS   8          1HG       LYS   8   6.278  -5.539   0.758
   71   1HD   LYS   8          2HD       LYS   8   8.636  -5.156   1.598
   72   2HD   LYS   8          1HD       LYS   8   8.040  -5.638   3.194
   73   1HE   LYS   8          2HE       LYS   8   8.258  -7.775   2.632
   74   2HE   LYS   8          1HE       LYS   8   7.115  -7.534   1.307
   75   1HZ   LYS   8          1HZ       LYS   8   8.758  -7.762  -0.140
   76   2HZ   LYS   8          2HZ       LYS   8   9.830  -8.096   1.125
   77   3HZ   LYS   8          3HZ       LYS   8   9.638  -6.508   0.578
   78    H    ARG   9           H        ARG   9   3.816  -5.357   3.173
   79    HA   ARG   9           HA       ARG   9   2.197  -5.478   0.725
   80   1HB   ARG   9          2HB       ARG   9   2.421  -7.786   2.606
   81   2HB   ARG   9          1HB       ARG   9   2.179  -7.788   0.865
   82   1HG   ARG   9          2HG       ARG   9   4.332  -8.229   0.616
   83   2HG   ARG   9          1HG       ARG   9   4.707  -6.647   1.305
   84   1HD   ARG   9          2HD       ARG   9   5.863  -7.994   2.747
   85   2HD   ARG   9          1HD       ARG   9   4.310  -7.912   3.578
   86    HE   ARG   9           HE       ARG   9   5.376 -10.197   2.090
   87   1HH1  ARG   9          1HH1      ARG   9   2.870  -8.806   4.075
   88   2HH1  ARG   9          2HH1      ARG   9   2.149 -10.334   4.458
   89   1HH2  ARG   9          1HH2      ARG   9   4.433 -12.208   2.589
   90   2HH2  ARG   9          2HH2      ARG   9   3.039 -12.268   3.614
   91    H    ASN  10           H        ASN  10   1.906  -6.600   4.090
   92    HA   ASN  10           HA       ASN  10  -0.847  -6.614   4.244
   93   1HB   ASN  10          2HB       ASN  10   1.186  -7.223   5.924
   94   2HB   ASN  10          1HB       ASN  10   0.428  -5.861   6.734
   95   1HD2  ASN  10          1HD2      ASN  10  -2.118  -6.077   6.520
   96   2HD2  ASN  10          2HD2      ASN  10  -2.729  -7.602   7.054
   97    H    ARG  11           H        ARG  11   1.001  -4.285   6.136
   98    HA   ARG  11           HA       ARG  11  -1.126  -2.352   5.952
   99   1HB   ARG  11          2HB       ARG  11   1.288  -2.724   7.566
  100   2HB   ARG  11          1HB       ARG  11   0.914  -1.051   7.182
  101   1HG   ARG  11          2HG       ARG  11  -0.081  -1.618   9.289
  102   2HG   ARG  11          1HG       ARG  11  -1.355  -1.374   8.092
  103   1HD   ARG  11          2HD       ARG  11  -1.731  -3.349   9.543
  104   2HD   ARG  11          1HD       ARG  11  -1.635  -3.746   7.828
  105    HE   ARG  11           HE       ARG  11   0.834  -4.254   8.468
  106   1HH1  ARG  11          1HH1      ARG  11  -2.002  -4.884  10.396
  107   2HH1  ARG  11          2HH1      ARG  11  -1.303  -6.243  11.211
  108   1HH2  ARG  11          1HH2      ARG  11   1.759  -6.045   9.534
  109   2HH2  ARG  11          2HH2      ARG  11   0.834  -6.904  10.721
  110   1H    LYS  12          1HT       LYS  12  10.292   1.540   0.596
  111   2H    LYS  12          2HT       LYS  12   9.331   0.704  -0.516
  112   3H    LYS  12          3HT       LYS  12  10.536  -0.115   0.343
  113    HA   LYS  12           HA       LYS  12   8.035  -0.254   1.054
  114   1HB   LYS  12          2HB       LYS  12   8.838  -1.188   2.990
  115   2HB   LYS  12          1HB       LYS  12  10.343  -1.068   2.089
  116   1HG   LYS  12          2HG       LYS  12   9.394   0.982   4.079
  117   2HG   LYS  12          1HG       LYS  12  10.486  -0.351   4.460
  118   1HD   LYS  12          2HD       LYS  12  11.015   1.781   2.392
  119   2HD   LYS  12          1HD       LYS  12  11.683   1.765   4.026
  120   1HE   LYS  12          2HE       LYS  12  12.148  -0.285   1.864
  121   2HE   LYS  12          1HE       LYS  12  13.311   0.904   2.451
  122   1HZ   LYS  12          1HZ       LYS  12  12.604  -1.646   3.545
  123   2HZ   LYS  12          2HZ       LYS  12  12.531  -0.413   4.701
  124   3HZ   LYS  12          3HZ       LYS  12  13.964  -0.685   3.845
  125    H    LEU  13           H        LEU  13   9.890   2.635   1.518
  126    HA   LEU  13           HA       LEU  13   8.121   3.777   3.463
  127   1HB   LEU  13          2HB       LEU  13  10.679   4.338   2.536
  128   2HB   LEU  13          1HB       LEU  13   9.718   5.703   1.998
  129    HG   LEU  13           HG       LEU  13   8.969   5.292   4.665
  130   1HD1  LEU  13          1HD1      LEU  13  11.882   4.794   4.209
  131   2HD1  LEU  13          2HD1      LEU  13  10.762   3.972   5.296
  132   3HD1  LEU  13          3HD1      LEU  13  11.330   5.597   5.679
  133   1HD2  LEU  13          1HD2      LEU  13   9.014   7.473   3.973
  134   2HD2  LEU  13          2HD2      LEU  13  10.552   7.291   3.129
  135   3HD2  LEU  13          3HD2      LEU  13  10.520   7.405   4.888
  136    H    LEU  14           H        LEU  14   6.878   2.823   1.085
  137    HA   LEU  14           HA       LEU  14   5.537   5.285   0.238
  138   1HB   LEU  14          2HB       LEU  14   6.399   5.008  -1.813
  139   2HB   LEU  14          1HB       LEU  14   7.006   3.411  -1.428
  140    HG   LEU  14           HG       LEU  14   4.502   2.695  -1.778
  141   1HD1  LEU  14          1HD1      LEU  14   3.806   5.112  -2.029
  142   2HD1  LEU  14          2HD1      LEU  14   3.259   4.012  -3.294
  143   3HD1  LEU  14          3HD1      LEU  14   4.623   5.090  -3.590
  144   1HD2  LEU  14          1HD2      LEU  14   5.011   2.455  -4.243
  145   2HD2  LEU  14          2HD2      LEU  14   6.214   1.793  -3.136
  146   3HD2  LEU  14          3HD2      LEU  14   6.502   3.343  -3.929
  147    H    ILE  15           H        ILE  15   5.515   1.896   0.949
  148    HA   ILE  15           HA       ILE  15   2.572   1.937   1.021
  149    HB   ILE  15           HB       ILE  15   3.061   0.417  -0.690
  150   1HG1  ILE  15          2HG1      ILE  15   2.342  -1.720   0.133
  151   2HG1  ILE  15          1HG1      ILE  15   2.955  -1.367   1.745
  152   1HG2  ILE  15          1HG2      ILE  15   4.763  -1.392  -0.451
  153   2HG2  ILE  15          2HG2      ILE  15   5.281  -0.631   1.053
  154   3HG2  ILE  15          3HG2      ILE  15   5.435   0.239  -0.473
  155   1HD1  ILE  15          1HD1      ILE  15   0.690  -1.077   1.975
  156   2HD1  ILE  15          2HD1      ILE  15   0.514  -0.331   0.385
  157   3HD1  ILE  15          3HD1      ILE  15   1.261   0.573   1.707
  158    H    THR  16           H        THR  16   5.364   0.169   2.352
  159    HA   THR  16           HA       THR  16   4.303  -1.061   4.515
  160    HB   THR  16           HB       THR  16   6.944   0.283   4.069
  161    HG1  THR  16           1HG      THR  16   7.352  -1.623   3.384
  162   1HG2  THR  16          1HG2      THR  16   7.595  -1.134   6.202
  163   2HG2  THR  16          2HG2      THR  16   5.960  -0.684   6.683
  164   3HG2  THR  16          3HG2      THR  16   7.145   0.567   6.298
  165    H    ILE  17           H        ILE  17   6.046   1.916   4.998
  166    HA   ILE  17           HA       ILE  17   4.562   2.556   7.399
  167    HB   ILE  17           HB       ILE  17   6.939   2.698   7.481
  168   1HG1  ILE  17          2HG1      ILE  17   7.271   5.249   7.801
  169   2HG1  ILE  17          1HG1      ILE  17   5.558   5.375   7.410
  170   1HG2  ILE  17          1HG2      ILE  17   7.438   2.824   5.150
  171   2HG2  ILE  17          2HG2      ILE  17   8.172   4.239   5.929
  172   3HG2  ILE  17          3HG2      ILE  17   6.663   4.416   5.012
  173   1HD1  ILE  17          1HD1      ILE  17   6.407   3.461   9.524
  174   2HD1  ILE  17          2HD1      ILE  17   4.901   4.374   9.345
  175   3HD1  ILE  17          3HD1      ILE  17   6.368   5.192   9.886
  176    H    HIS  18           H        HIS  18   5.249   4.002   4.264
  177    HA   HIS  18           HA       HIS  18   4.126   6.498   4.691
  178   1HB   HIS  18          2HB       HIS  18   5.584   6.215   2.863
  179   2HB   HIS  18          1HB       HIS  18   4.654   4.856   2.230
  180    HD1  HIS  18           1HD      HIS  18   2.216   5.538   1.351
  181    HD2  HIS  18           2HD      HIS  18   5.000   8.590   1.654
  182    HE1  HIS  18           1HE      HIS  18   1.329   7.395  -0.110
  183    HE2  HIS  18           2HE      HIS  18   2.989   9.273   0.173
  184    H    ASP  19           H        ASP  19   2.495   3.507   4.271
  185    HA   ASP  19           HA       ASP  19   0.139   4.572   3.059
  186   1HB   ASP  19          2HB       ASP  19   0.696   2.235   2.836
  187   2HB   ASP  19          1HB       ASP  19   0.558   1.995   4.572
  188    H    ARG  20           H        ARG  20   1.026   3.789   6.411
  189    HA   ARG  20           HA       ARG  20  -1.491   4.434   7.526
  190   1HB   ARG  20          2HB       ARG  20   0.853   5.017   9.217
  191   2HB   ARG  20          1HB       ARG  20  -0.531   3.983   9.537
  192   1HG   ARG  20          2HG       ARG  20   0.509   2.126   8.785
  193   2HG   ARG  20          1HG       ARG  20   1.395   2.998   7.532
  194   1HD   ARG  20          2HD       ARG  20   2.801   2.054   9.397
  195   2HD   ARG  20          1HD       ARG  20   3.007   3.776   9.087
  196    HE   ARG  20           HE       ARG  20   1.364   4.034  11.023
  197   1HH1  ARG  20          1HH1      ARG  20   3.649   1.417  10.738
  198   2HH1  ARG  20          2HH1      ARG  20   3.770   1.167  12.448
  199   1HH2  ARG  20          1HH2      ARG  20   1.515   3.709  13.274
  200   2HH2  ARG  20          2HH2      ARG  20   2.557   2.469  13.889
  201    H    LYS  21           H        LYS  21   0.878   6.290   6.094
  202    HA   LYS  21           HA       LYS  21   0.631   8.732   7.532
  203   1HB   LYS  21          2HB       LYS  21   1.626   8.019   4.783
  204   2HB   LYS  21          1HB       LYS  21   1.651   9.671   5.403
  205   1HG   LYS  21          2HG       LYS  21   3.042   8.889   7.288
  206   2HG   LYS  21          1HG       LYS  21   3.070   7.294   6.537
  207   1HD   LYS  21          2HD       LYS  21   4.983   8.093   5.613
  208   2HD   LYS  21          1HD       LYS  21   3.845   8.774   4.443
  209   1HE   LYS  21          2HE       LYS  21   3.963  10.599   6.570
  210   2HE   LYS  21          1HE       LYS  21   5.631  10.119   6.255
  211   1HZ   LYS  21          1HZ       LYS  21   3.838  11.707   4.648
  212   2HZ   LYS  21          2HZ       LYS  21   4.662  10.517   3.773
  213   3HZ   LYS  21          3HZ       LYS  21   5.529  11.664   4.663
  214    H    GLU  22           H        GLU  22  -0.445   7.756   4.327
  215    HA   GLU  22           HA       GLU  22  -2.057   9.980   3.808
  216   1HB   GLU  22          2HB       GLU  22  -3.160   8.147   2.192
  217   2HB   GLU  22          1HB       GLU  22  -1.627   8.921   1.852
  218   1HG   GLU  22          2HG       GLU  22  -0.399   7.043   2.603
  219   2HG   GLU  22          1HG       GLU  22  -1.841   6.314   3.323
  220    H    PHE  23           H        PHE  23  -4.082   7.561   3.016
  221    HA   PHE  23           HA       PHE  23  -5.779   7.989   5.374
  222   1HB   PHE  23          2HB       PHE  23  -6.194   8.394   2.516
  223   2HB   PHE  23          1HB       PHE  23  -7.466   7.448   3.265
  224    HD1  PHE  23           1HD      PHE  23  -6.520  10.642   2.395
  225    HD2  PHE  23           2HD      PHE  23  -8.240   8.498   5.642
  226    HE1  PHE  23           1HE      PHE  23  -7.534  12.724   3.226
  227    HE2  PHE  23           2HE      PHE  23  -9.259  10.575   6.480
  228    HZ   PHE  23           HZ       PHE  23  -8.907  12.692   5.270
  229    H    ALA  24           H        ALA  24  -4.045   5.791   5.302
  230    HA   ALA  24           HA       ALA  24  -5.098   3.462   4.170
  231   1HB   ALA  24          1HB       ALA  24  -2.948   3.166   4.889
  232   2HB   ALA  24          2HB       ALA  24  -3.844   2.360   6.179
  233   3HB   ALA  24          3HB       ALA  24  -3.225   3.996   6.421
  234    H    LYS  25           H        LYS  25  -6.369   5.366   6.627
  235    HA   LYS  25           HA       LYS  25  -7.469   3.661   8.470
  236   1HB   LYS  25          2HB       LYS  25  -9.560   5.423   7.910
  237   2HB   LYS  25          1HB       LYS  25  -8.299   5.636   9.113
  238   1HG   LYS  25          2HG       LYS  25  -7.831   6.485   6.287
  239   2HG   LYS  25          1HG       LYS  25  -8.760   7.507   7.382
  240   1HD   LYS  25          2HD       LYS  25  -5.920   6.553   7.772
  241   2HD   LYS  25          1HD       LYS  25  -6.440   8.195   7.391
  242   1HE   LYS  25          2HE       LYS  25  -7.615   8.323   9.533
  243   2HE   LYS  25          1HE       LYS  25  -7.107   6.678   9.913
  244   1HZ   LYS  25          1HZ       LYS  25  -5.469   7.804  10.961
  245   2HZ   LYS  25          2HZ       LYS  25  -5.568   9.154   9.947
  246   3HZ   LYS  25          3HZ       LYS  25  -4.756   7.765   9.428
  247    H    PHE  26           H        PHE  26  -8.875   4.559   5.323
  248    HA   PHE  26           HA       PHE  26 -10.409   2.057   5.418
  249   1HB   PHE  26          2HB       PHE  26 -11.824   3.568   3.644
  250   2HB   PHE  26          1HB       PHE  26 -12.243   3.360   5.341
  251    HD1  PHE  26           1HD      PHE  26 -12.286   5.181   6.791
  252    HD2  PHE  26           2HD      PHE  26 -10.423   5.558   2.986
  253    HE1  PHE  26           1HE      PHE  26 -12.092   7.605   7.133
  254    HE2  PHE  26           2HE      PHE  26 -10.225   7.985   3.320
  255    HZ   PHE  26           HZ       PHE  26 -11.059   9.015   5.397
  256    H    GLU  27           H        GLU  27  -7.742   2.790   4.312
  257    HA   GLU  27           HA       GLU  27  -8.157   2.508   1.462
  258   1HB   GLU  27          2HB       GLU  27  -6.097   3.538   3.067
  259   2HB   GLU  27          1HB       GLU  27  -5.424   2.127   2.254
  260   1HG   GLU  27          2HG       GLU  27  -7.014   3.690   0.453
  261   2HG   GLU  27          1HG       GLU  27  -5.760   4.678   1.212
  262    H    GLU  28           H        GLU  28  -8.751   0.506   3.672
  263    HA   GLU  28           HA       GLU  28  -7.496  -1.803   2.360
  264   1HB   GLU  28          2HB       GLU  28  -8.107  -1.279   5.263
  265   2HB   GLU  28          1HB       GLU  28  -7.960  -2.926   4.652
  266   1HG   GLU  28          2HG       GLU  28  -5.805  -0.909   4.170
  267   2HG   GLU  28          1HG       GLU  28  -5.904  -1.783   5.699
  268    H    GLU  29           H        GLU  29 -10.214  -0.035   2.887
  269    HA   GLU  29           HA       GLU  29 -12.007  -2.321   2.402
  270   1HB   GLU  29          2HB       GLU  29 -12.755   0.289   3.733
  271   2HB   GLU  29          1HB       GLU  29 -13.758  -1.150   3.571
  272   1HG   GLU  29          2HG       GLU  29 -11.508  -2.069   4.877
  273   2HG   GLU  29          1HG       GLU  29 -11.779  -0.474   5.575
  274    H    ARG  30           H        ARG  30 -11.842   1.226   1.965
  275    HA   ARG  30           HA       ARG  30 -13.130   0.867  -0.663
  276   1HB   ARG  30          2HB       ARG  30 -14.721   1.999   0.584
  277   2HB   ARG  30          1HB       ARG  30 -13.510   2.927   1.463
  278   1HG   ARG  30          2HG       ARG  30 -14.634   4.403  -0.012
  279   2HG   ARG  30          1HG       ARG  30 -13.005   4.145  -0.646
  280   1HD   ARG  30          2HD       ARG  30 -14.627   4.079  -2.449
  281   2HD   ARG  30          1HD       ARG  30 -13.912   2.484  -2.219
  282    HE   ARG  30           HE       ARG  30 -15.964   1.798  -1.152
  283   1HH1  ARG  30          1HH1      ARG  30 -16.068   4.837  -2.855
  284   2HH1  ARG  30          2HH1      ARG  30 -17.790   4.823  -3.037
  285   1HH2  ARG  30          1HH2      ARG  30 -18.232   1.773  -1.385
  286   2HH2  ARG  30          2HH2      ARG  30 -19.020   3.082  -2.200
  287    H    ALA  31           H        ALA  31 -11.132   3.256   1.089
  288    HA   ALA  31           HA       ALA  31 -10.257   4.735  -1.045
  289   1HB   ALA  31          1HB       ALA  31  -8.191   5.174   0.337
  290   2HB   ALA  31          2HB       ALA  31  -8.876   4.061   1.521
  291   3HB   ALA  31          3HB       ALA  31  -9.747   5.535   1.093
  292    H    ARG  32           H        ARG  32  -9.674   1.483  -0.702
  293    HA   ARG  32           HA       ARG  32  -7.104   1.571  -2.095
  294   1HB   ARG  32          2HB       ARG  32  -7.873  -0.067  -0.146
  295   2HB   ARG  32          1HB       ARG  32  -8.468  -0.995  -1.506
  296   1HG   ARG  32          2HG       ARG  32  -5.635  -0.110  -1.012
  297   2HG   ARG  32          1HG       ARG  32  -6.268  -1.762  -0.940
  298   1HD   ARG  32          2HD       ARG  32  -6.715  -0.247  -3.444
  299   2HD   ARG  32          1HD       ARG  32  -5.053  -0.767  -3.107
  300    HE   ARG  32           HE       ARG  32  -7.337  -2.472  -3.698
  301   1HH1  ARG  32          1HH1      ARG  32  -4.022  -2.243  -2.644
  302   2HH1  ARG  32          2HH1      ARG  32  -3.663  -3.901  -2.995
  303   1HH2  ARG  32          1HH2      ARG  32  -6.871  -4.652  -4.165
  304   2HH2  ARG  32          2HH2      ARG  32  -5.282  -5.269  -3.860
  305    H    ALA  33           H        ALA  33 -10.367   0.229  -2.429
  306    HA   ALA  33           HA       ALA  33 -10.049  -0.935  -4.921
  307   1HB   ALA  33          1HB       ALA  33 -11.993  -1.442  -3.816
  308   2HB   ALA  33          2HB       ALA  33 -12.545  -0.456  -5.172
  309   3HB   ALA  33          3HB       ALA  33 -12.429   0.246  -3.554
  310    H    LYS  34           H        LYS  34  -9.846   2.293  -4.063
  311    HA   LYS  34           HA       LYS  34 -10.755   3.640  -6.364
  312   1HB   LYS  34          2HB       LYS  34  -8.278   4.458  -4.848
  313   2HB   LYS  34          1HB       LYS  34  -9.515   5.489  -5.567
  314   1HG   LYS  34          2HG       LYS  34  -9.991   3.698  -3.207
  315   2HG   LYS  34          1HG       LYS  34  -9.474   5.386  -3.070
  316   1HD   LYS  34          2HD       LYS  34 -11.488   5.937  -4.542
  317   2HD   LYS  34          1HD       LYS  34 -12.034   4.304  -4.178
  318   1HE   LYS  34          2HE       LYS  34 -12.947   5.105  -2.313
  319   2HE   LYS  34          1HE       LYS  34 -11.315   5.398  -1.716
  320   1HZ   LYS  34          1HZ       LYS  34 -11.416   7.605  -2.248
  321   2HZ   LYS  34          2HZ       LYS  34 -13.036   7.325  -1.850
  322   3HZ   LYS  34          3HZ       LYS  34 -12.563   7.390  -3.473
  323    H    TRP  35           H        TRP  35  -7.784   2.133  -5.425
  324    HA   TRP  35           HA       TRP  35  -6.349   2.636  -7.851
  325   1HB   TRP  35          2HB       TRP  35  -5.617   0.495  -5.890
  326   2HB   TRP  35          1HB       TRP  35  -4.559   1.599  -6.778
  327    HD1  TRP  35           HD       TRP  35  -4.775   0.970  -3.528
  328    HE1  TRP  35           1HE      TRP  35  -4.892   2.982  -1.966
  329    HE3  TRP  35           3HE      TRP  35  -6.332   4.522  -6.854
  330    HZ2  TRP  35           2HZ      TRP  35  -5.572   5.678  -2.077
  331    HZ3  TRP  35           3HZ      TRP  35  -6.723   6.805  -6.026
  332    HH2  TRP  35           HH       TRP  35  -6.337   7.380  -3.683
  333    H    ASP  36           H        ASP  36  -8.250   0.068  -6.452
  334    HA   ASP  36           HA       ASP  36  -7.622  -2.116  -7.981
  335   1HB   ASP  36          2HB       ASP  36  -9.660  -1.387  -6.207
  336   2HB   ASP  36          1HB       ASP  36 -10.486  -1.936  -7.664
  Start of MODEL   16
    1   1H    MET   1          1HT       MET   1  16.015  -4.201   8.050
    2   2H    MET   1          2HT       MET   1  15.573  -4.391   6.429
    3   3H    MET   1          3HT       MET   1  14.738  -5.231   7.636
    4    HA   MET   1           HA       MET   1  14.790  -2.287   7.337
    5   1HB   MET   1          2HB       MET   1  12.202  -3.218   6.952
    6   2HB   MET   1          1HB       MET   1  13.293  -2.589   5.729
    7   1HG   MET   1          2HG       MET   1  12.466  -4.644   4.939
    8   2HG   MET   1          1HG       MET   1  14.144  -4.914   5.411
    9   1HE   MET   1          1HE       MET   1  11.177  -4.250   7.429
   10   2HE   MET   1          2HE       MET   1  11.570  -5.251   8.831
   11   3HE   MET   1          3HE       MET   1  10.392  -5.816   7.646
   12    H    TRP   2           H        TRP   2  11.958  -2.357   8.224
   13    HA   TRP   2           HA       TRP   2  12.422  -2.878  11.090
   14   1HB   TRP   2          2HB       TRP   2  10.386  -0.872  10.571
   15   2HB   TRP   2          1HB       TRP   2  11.845  -0.753  11.574
   16    HD1  TRP   2           HD       TRP   2  13.826   0.691  10.536
   17    HE1  TRP   2           1HE      TRP   2  14.115   1.926   8.284
   18    HE3  TRP   2           3HE      TRP   2   9.732  -1.093   8.160
   19    HZ2  TRP   2           2HZ      TRP   2  12.726   2.085   5.799
   20    HZ3  TRP   2           3HZ      TRP   2   9.258  -0.388   5.873
   21    HH2  TRP   2           HH       TRP   2  10.732   1.169   4.706
   22    H    LYS   3           H        LYS   3   9.535  -1.969   9.221
   23    HA   LYS   3           HA       LYS   3   8.179  -4.343  10.302
   24   1HB   LYS   3          2HB       LYS   3   6.119  -3.021  10.352
   25   2HB   LYS   3          1HB       LYS   3   7.370  -2.319  11.368
   26   1HG   LYS   3          2HG       LYS   3   6.868  -1.380   8.559
   27   2HG   LYS   3          1HG       LYS   3   5.985  -0.738   9.947
   28   1HD   LYS   3          2HD       LYS   3   8.120  -0.073  10.968
   29   2HD   LYS   3          1HD       LYS   3   8.960  -0.697   9.544
   30   1HE   LYS   3          2HE       LYS   3   8.227   0.984   8.184
   31   2HE   LYS   3          1HE       LYS   3   6.792   1.300   9.161
   32   1HZ   LYS   3          1HZ       LYS   3   8.009   3.070   9.798
   33   2HZ   LYS   3          2HZ       LYS   3   9.493   2.340   9.443
   34   3HZ   LYS   3          3HZ       LYS   3   8.691   1.968  10.884
   35    H    VAL   4           H        VAL   4   8.787  -2.434   7.497
   36    HA   VAL   4           HA       VAL   4   6.857  -2.913   5.708
   37    HB   VAL   4           HB       VAL   4   8.670  -1.767   4.866
   38   1HG1  VAL   4          1HG1      VAL   4  10.394  -4.118   5.596
   39   2HG1  VAL   4          2HG1      VAL   4  10.308  -2.579   6.458
   40   3HG1  VAL   4          3HG1      VAL   4  10.947  -2.635   4.815
   41   1HG2  VAL   4          1HG2      VAL   4   9.348  -2.863   2.878
   42   2HG2  VAL   4          2HG2      VAL   4   7.718  -3.436   3.238
   43   3HG2  VAL   4          3HG2      VAL   4   9.114  -4.456   3.599
   44    H    GLY   5           H        GLY   5   9.299  -5.304   6.653
   45   1HA   GLY   5          2HA       GLY   5   8.993  -7.357   4.995
   46   2HA   GLY   5          1HA       GLY   5   9.019  -7.624   6.734
   47    H    PHE   6           H        PHE   6   6.631  -6.475   7.458
   48    HA   PHE   6           HA       PHE   6   4.698  -8.117   6.054
   49   1HB   PHE   6          2HB       PHE   6   4.167  -7.338   8.789
   50   2HB   PHE   6          1HB       PHE   6   3.752  -8.830   7.980
   51    HD1  PHE   6           1HD      PHE   6   5.925 -10.264   7.310
   52    HD2  PHE   6           2HD      PHE   6   5.683  -7.478  10.519
   53    HE1  PHE   6           1HE      PHE   6   7.788 -11.409   8.438
   54    HE2  PHE   6           2HE      PHE   6   7.550  -8.617  11.651
   55    HZ   PHE   6           HZ       PHE   6   8.602 -10.584  10.611
   56    H    PHE   7           H        PHE   7   5.652  -5.021   6.771
   57    HA   PHE   7           HA       PHE   7   3.051  -3.862   7.046
   58   1HB   PHE   7          2HB       PHE   7   5.763  -3.002   7.294
   59   2HB   PHE   7          1HB       PHE   7   4.866  -1.870   6.280
   60    HD1  PHE   7           1HD      PHE   7   4.470  -0.025   7.582
   61    HD2  PHE   7           2HD      PHE   7   3.762  -3.895   9.188
   62    HE1  PHE   7           1HE      PHE   7   3.476   1.001   9.584
   63    HE2  PHE   7           2HE      PHE   7   2.764  -2.881  11.204
   64    HZ   PHE   7           HZ       PHE   7   2.620  -0.428  11.401
   65    H    LYS   8           H        LYS   8   5.382  -4.138   4.468
   66    HA   LYS   8           HA       LYS   8   4.284  -2.544   2.525
   67   1HB   LYS   8          2HB       LYS   8   5.355  -4.056   0.933
   68   2HB   LYS   8          1HB       LYS   8   6.390  -3.841   2.347
   69   1HG   LYS   8          2HG       LYS   8   4.908  -5.965   3.105
   70   2HG   LYS   8          1HG       LYS   8   5.025  -6.236   1.364
   71   1HD   LYS   8          2HD       LYS   8   7.450  -5.543   2.960
   72   2HD   LYS   8          1HD       LYS   8   6.841  -7.204   2.932
   73   1HE   LYS   8          2HE       LYS   8   6.724  -6.573   0.308
   74   2HE   LYS   8          1HE       LYS   8   8.154  -5.657   0.807
   75   1HZ   LYS   8          1HZ       LYS   8   8.148  -8.310   1.875
   76   2HZ   LYS   8          2HZ       LYS   8   9.342  -7.519   0.973
   77   3HZ   LYS   8          3HZ       LYS   8   8.078  -8.320   0.184
   78    H    ARG   9           H        ARG   9   3.334  -5.704   3.678
   79    HA   ARG   9           HA       ARG   9   1.265  -5.954   1.660
   80   1HB   ARG   9          2HB       ARG   9   1.639  -7.922   3.880
   81   2HB   ARG   9          1HB       ARG   9   1.119  -8.205   2.223
   82   1HG   ARG   9          2HG       ARG   9   3.177  -8.916   1.812
   83   2HG   ARG   9          1HG       ARG   9   3.720  -7.246   1.996
   84   1HD   ARG   9          2HD       ARG   9   5.060  -8.249   3.548
   85   2HD   ARG   9          1HD       ARG   9   3.661  -7.886   4.559
   86    HE   ARG   9           HE       ARG   9   4.439 -10.518   3.539
   87   1HH1  ARG   9          1HH1      ARG   9   2.291  -8.549   5.449
   88   2HH1  ARG   9          2HH1      ARG   9   1.594  -9.895   6.287
   89   1HH2  ARG   9          1HH2      ARG   9   3.528 -12.299   4.639
   90   2HH2  ARG   9          2HH2      ARG   9   2.297 -12.026   5.827
   91    H    ASN  10           H        ASN  10   1.606  -5.963   5.188
   92    HA   ASN  10           HA       ASN  10  -1.150  -5.932   5.765
   93   1HB   ASN  10          2HB       ASN  10   1.057  -6.411   7.207
   94   2HB   ASN  10          1HB       ASN  10   0.603  -4.819   7.796
   95   1HD2  ASN  10          1HD2      ASN  10   0.212  -8.048   8.254
   96   2HD2  ASN  10          2HD2      ASN  10  -1.271  -8.036   9.137
   97    H    ARG  11           H        ARG  11   0.890  -3.478   7.101
   98    HA   ARG  11           HA       ARG  11  -1.109  -1.476   6.793
   99   1HB   ARG  11          2HB       ARG  11   1.405  -1.836   8.169
  100   2HB   ARG  11          1HB       ARG  11   1.214  -0.209   7.530
  101   1HG   ARG  11          2HG       ARG  11   0.401  -0.269   9.788
  102   2HG   ARG  11          1HG       ARG  11  -0.960  -0.042   8.688
  103   1HD   ARG  11          2HD       ARG  11  -1.363  -1.689  10.531
  104   2HD   ARG  11          1HD       ARG  11  -1.619  -2.320   8.905
  105    HE   ARG  11           HE       ARG  11   0.959  -2.978   9.464
  106   1HH1  ARG  11          1HH1      ARG  11  -2.087  -3.513  11.066
  107   2HH1  ARG  11          2HH1      ARG  11  -1.590  -5.007  11.788
  108   1HH2  ARG  11          1HH2      ARG  11   1.622  -4.939  10.406
  109   2HH2  ARG  11          2HH2      ARG  11   0.520  -5.818  11.413
  110   1H    LYS  12          1HT       LYS  12   8.285   0.906  -1.066
  111   2H    LYS  12          2HT       LYS  12   9.177  -0.481  -0.690
  112   3H    LYS  12          3HT       LYS  12   9.640   1.018  -0.057
  113    HA   LYS  12           HA       LYS  12   7.117  -0.413   0.564
  114   1HB   LYS  12          2HB       LYS  12   8.102  -1.170   2.522
  115   2HB   LYS  12          1HB       LYS  12   9.475  -1.219   1.424
  116   1HG   LYS  12          2HG       LYS  12   8.869   1.024   3.343
  117   2HG   LYS  12          1HG       LYS  12  10.021  -0.284   3.628
  118   1HD   LYS  12          2HD       LYS  12  10.179   1.680   1.342
  119   2HD   LYS  12          1HD       LYS  12  11.097   1.803   2.844
  120   1HE   LYS  12          2HE       LYS  12  11.253  -0.398   0.792
  121   2HE   LYS  12          1HE       LYS  12  12.481   0.820   1.130
  122   1HZ   LYS  12          1HZ       LYS  12  12.444  -0.155   3.481
  123   2HZ   LYS  12          2HZ       LYS  12  13.217  -1.043   2.267
  124   3HZ   LYS  12          3HZ       LYS  12  11.668  -1.485   2.782
  125    H    LEU  13           H        LEU  13   8.989   2.502   0.645
  126    HA   LEU  13           HA       LEU  13   7.431   3.758   2.690
  127   1HB   LEU  13          2HB       LEU  13   9.827   4.332   1.306
  128   2HB   LEU  13          1HB       LEU  13   8.739   5.676   1.012
  129    HG   LEU  13           HG       LEU  13   8.531   5.161   3.757
  130   1HD1  LEU  13          1HD1      LEU  13  11.044   5.549   4.293
  131   2HD1  LEU  13          2HD1      LEU  13  11.308   4.764   2.736
  132   3HD1  LEU  13          3HD1      LEU  13  10.449   3.911   4.018
  133   1HD2  LEU  13          1HD2      LEU  13   8.374   7.361   3.193
  134   2HD2  LEU  13          2HD2      LEU  13   9.677   7.268   2.007
  135   3HD2  LEU  13          3HD2      LEU  13  10.054   7.326   3.729
  136    H    LEU  14           H        LEU  14   5.910   2.623   0.580
  137    HA   LEU  14           HA       LEU  14   4.415   4.993  -0.262
  138   1HB   LEU  14          2HB       LEU  14   5.128   4.615  -2.366
  139   2HB   LEU  14          1HB       LEU  14   5.690   3.000  -1.986
  140    HG   LEU  14           HG       LEU  14   3.219   2.306  -2.082
  141   1HD1  LEU  14          1HD1      LEU  14   2.565   4.821  -2.112
  142   2HD1  LEU  14          2HD1      LEU  14   1.668   3.675  -3.109
  143   3HD1  LEU  14          3HD1      LEU  14   2.901   4.704  -3.839
  144   1HD2  LEU  14          1HD2      LEU  14   5.152   2.067  -3.840
  145   2HD2  LEU  14          2HD2      LEU  14   4.171   3.217  -4.749
  146   3HD2  LEU  14          3HD2      LEU  14   3.487   1.666  -4.262
  147    H    ILE  15           H        ILE  15   4.558   1.581   0.478
  148    HA   ILE  15           HA       ILE  15   1.656   1.597   0.981
  149    HB   ILE  15           HB       ILE  15   1.993   0.093  -0.826
  150   1HG1  ILE  15          2HG1      ILE  15   1.147  -1.937   0.017
  151   2HG1  ILE  15          1HG1      ILE  15   2.048  -1.790   1.520
  152   1HG2  ILE  15          1HG2      ILE  15   3.752  -1.888   0.127
  153   2HG2  ILE  15          2HG2      ILE  15   4.534  -0.333   0.411
  154   3HG2  ILE  15          3HG2      ILE  15   4.002  -0.766  -1.214
  155   1HD1  ILE  15          1HD1      ILE  15   0.040  -1.240   2.329
  156   2HD1  ILE  15          2HD1      ILE  15  -0.569  -0.694   0.761
  157   3HD1  ILE  15          3HD1      ILE  15   0.469   0.364   1.724
  158    H    THR  16           H        THR  16   4.678  -0.035   1.914
  159    HA   THR  16           HA       THR  16   3.972  -1.332   4.181
  160    HB   THR  16           HB       THR  16   6.440   0.077   3.314
  161    HG1  THR  16           1HG      THR  16   6.742  -1.889   2.746
  162   1HG2  THR  16          1HG2      THR  16   5.933  -0.668   6.143
  163   2HG2  THR  16          2HG2      THR  16   6.870   0.668   5.473
  164   3HG2  THR  16          3HG2      THR  16   7.524  -0.968   5.444
  165    H    ILE  17           H        ILE  17   5.496   1.808   4.389
  166    HA   ILE  17           HA       ILE  17   4.216   2.345   6.956
  167    HB   ILE  17           HB       ILE  17   6.590   2.521   6.910
  168   1HG1  ILE  17          2HG1      ILE  17   6.913   5.078   7.198
  169   2HG1  ILE  17          1HG1      ILE  17   5.178   5.182   6.913
  170   1HG2  ILE  17          1HG2      ILE  17   6.995   2.639   4.584
  171   2HG2  ILE  17          2HG2      ILE  17   7.690   4.113   5.282
  172   3HG2  ILE  17          3HG2      ILE  17   6.130   4.184   4.437
  173   1HD1  ILE  17          1HD1      ILE  17   6.249   3.328   8.996
  174   2HD1  ILE  17          2HD1      ILE  17   4.658   4.096   8.867
  175   3HD1  ILE  17          3HD1      ILE  17   6.065   5.055   9.329
  176    H    HIS  18           H        HIS  18   4.658   3.768   3.771
  177    HA   HIS  18           HA       HIS  18   3.540   6.257   4.270
  178   1HB   HIS  18          2HB       HIS  18   4.846   5.982   2.324
  179   2HB   HIS  18          1HB       HIS  18   3.881   4.611   1.778
  180    HD1  HIS  18           1HD      HIS  18   1.222   5.453   1.464
  181    HD2  HIS  18           2HD      HIS  18   4.284   8.157   0.803
  182    HE1  HIS  18           1HE      HIS  18   0.227   7.229  -0.028
  183    HE2  HIS  18           2HE      HIS  18   2.086   8.905  -0.344
  184    H    ASP  19           H        ASP  19   1.945   3.200   3.748
  185    HA   ASP  19           HA       ASP  19  -0.539   4.190   2.847
  186   1HB   ASP  19          2HB       ASP  19   0.179   1.775   2.833
  187   2HB   ASP  19          1HB       ASP  19  -0.128   1.738   4.563
  188    H    ARG  20           H        ARG  20   0.526   3.294   6.131
  189    HA   ARG  20           HA       ARG  20  -1.819   4.405   7.350
  190   1HB   ARG  20          2HB       ARG  20  -0.422   4.078   9.480
  191   2HB   ARG  20          1HB       ARG  20  -0.859   2.639   8.567
  192   1HG   ARG  20          2HG       ARG  20   1.271   2.093   8.301
  193   2HG   ARG  20          1HG       ARG  20   1.651   3.684   7.640
  194   1HD   ARG  20          2HD       ARG  20   2.966   3.164   9.658
  195   2HD   ARG  20          1HD       ARG  20   1.936   4.579   9.870
  196    HE   ARG  20           HE       ARG  20   1.534   1.942  11.088
  197   1HH1  ARG  20          1HH1      ARG  20   0.647   5.299  10.785
  198   2HH1  ARG  20          2HH1      ARG  20  -0.347   5.297  12.203
  199   1HH2  ARG  20          1HH2      ARG  20   0.228   1.932  12.958
  200   2HH2  ARG  20          2HH2      ARG  20  -0.585   3.384  13.438
  201    H    LYS  21           H        LYS  21   0.947   5.697   6.059
  202    HA   LYS  21           HA       LYS  21   1.663   7.790   7.759
  203   1HB   LYS  21          2HB       LYS  21   3.165   7.867   6.098
  204   2HB   LYS  21          1HB       LYS  21   2.082   7.009   5.010
  205   1HG   LYS  21          2HG       LYS  21   1.071   8.996   4.273
  206   2HG   LYS  21          1HG       LYS  21   1.800   9.923   5.578
  207   1HD   LYS  21          2HD       LYS  21   3.755   8.554   3.903
  208   2HD   LYS  21          1HD       LYS  21   2.767   9.719   3.019
  209   1HE   LYS  21          2HE       LYS  21   3.405  11.488   4.478
  210   2HE   LYS  21          1HE       LYS  21   4.175  10.366   5.599
  211   1HZ   LYS  21          1HZ       LYS  21   5.080  11.039   2.853
  212   2HZ   LYS  21          2HZ       LYS  21   5.767   9.822   3.805
  213   3HZ   LYS  21          3HZ       LYS  21   5.852  11.436   4.306
  214    H    GLU  22           H        GLU  22  -0.975   7.466   5.487
  215    HA   GLU  22           HA       GLU  22  -1.885  10.158   6.245
  216   1HB   GLU  22          2HB       GLU  22  -3.177   9.942   3.999
  217   2HB   GLU  22          1HB       GLU  22  -1.465  10.344   3.978
  218   1HG   GLU  22          2HG       GLU  22  -0.867   8.373   3.051
  219   2HG   GLU  22          1HG       GLU  22  -2.153   7.473   3.868
  220    H    PHE  23           H        PHE  23  -3.906   8.069   4.363
  221    HA   PHE  23           HA       PHE  23  -5.621   7.660   6.722
  222   1HB   PHE  23          2HB       PHE  23  -6.424   8.334   3.892
  223   2HB   PHE  23          1HB       PHE  23  -7.559   7.835   5.141
  224    HD1  PHE  23           1HD      PHE  23  -7.254   9.235   7.419
  225    HD2  PHE  23           2HD      PHE  23  -6.235  10.580   3.513
  226    HE1  PHE  23           1HE      PHE  23  -7.449  11.567   8.177
  227    HE2  PHE  23           2HE      PHE  23  -6.428  12.916   4.263
  228    HZ   PHE  23           HZ       PHE  23  -7.036  13.412   6.598
  229    H    ALA  24           H        ALA  24  -4.241   5.587   6.683
  230    HA   ALA  24           HA       ALA  24  -4.797   3.616   4.717
  231   1HB   ALA  24          1HB       ALA  24  -2.888   3.006   5.768
  232   2HB   ALA  24          2HB       ALA  24  -4.016   2.115   6.792
  233   3HB   ALA  24          3HB       ALA  24  -3.397   3.683   7.317
  234    H    LYS  25           H        LYS  25  -6.714   4.962   7.052
  235    HA   LYS  25           HA       LYS  25  -8.103   2.931   8.274
  236   1HB   LYS  25          2HB       LYS  25 -10.119   4.700   7.699
  237   2HB   LYS  25          1HB       LYS  25  -9.024   4.816   9.068
  238   1HG   LYS  25          2HG       LYS  25  -8.187   6.029   6.487
  239   2HG   LYS  25          1HG       LYS  25  -9.422   6.846   7.446
  240   1HD   LYS  25          2HD       LYS  25  -7.060   5.927   8.945
  241   2HD   LYS  25          1HD       LYS  25  -6.755   7.205   7.766
  242   1HE   LYS  25          2HE       LYS  25  -7.513   8.677   9.249
  243   2HE   LYS  25          1HE       LYS  25  -9.107   7.936   9.108
  244   1HZ   LYS  25          1HZ       LYS  25  -6.987   7.104  11.017
  245   2HZ   LYS  25          2HZ       LYS  25  -8.530   6.420  10.892
  246   3HZ   LYS  25          3HZ       LYS  25  -8.355   8.021  11.407
  247    H    PHE  26           H        PHE  26  -8.888   4.403   5.120
  248    HA   PHE  26           HA       PHE  26 -10.523   2.034   4.531
  249   1HB   PHE  26          2HB       PHE  26 -10.974   3.954   2.531
  250   2HB   PHE  26          1HB       PHE  26 -12.070   3.481   3.823
  251    HD1  PHE  26           1HD      PHE  26 -12.698   5.016   5.448
  252    HD2  PHE  26           2HD      PHE  26  -9.287   5.794   3.032
  253    HE1  PHE  26           1HE      PHE  26 -12.550   7.279   6.391
  254    HE2  PHE  26           2HE      PHE  26  -9.128   8.053   3.965
  255    HZ   PHE  26           HZ       PHE  26 -10.763   8.809   5.652
  256    H    GLU  27           H        GLU  27  -7.512   3.122   4.065
  257    HA   GLU  27           HA       GLU  27  -7.183   2.587   1.268
  258   1HB   GLU  27          2HB       GLU  27  -5.379   3.204   3.551
  259   2HB   GLU  27          1HB       GLU  27  -4.678   2.461   2.120
  260   1HG   GLU  27          2HG       GLU  27  -6.140   4.403   0.978
  261   2HG   GLU  27          1HG       GLU  27  -5.758   5.158   2.521
  262    H    GLU  28           H        GLU  28  -8.257   0.595   3.318
  263    HA   GLU  28           HA       GLU  28  -6.594  -1.675   2.471
  264   1HB   GLU  28          2HB       GLU  28  -8.147  -1.307   5.045
  265   2HB   GLU  28          1HB       GLU  28  -7.372  -2.811   4.559
  266   1HG   GLU  28          2HG       GLU  28  -5.623  -0.457   4.540
  267   2HG   GLU  28          1HG       GLU  28  -6.242  -0.915   6.127
  268    H    GLU  29           H        GLU  29  -9.451  -0.047   2.242
  269    HA   GLU  29           HA       GLU  29 -10.918  -2.427   1.327
  270   1HB   GLU  29          2HB       GLU  29 -11.954   0.079   2.660
  271   2HB   GLU  29          1HB       GLU  29 -12.994  -1.096   1.863
  272   1HG   GLU  29          2HG       GLU  29 -11.137  -1.786   4.123
  273   2HG   GLU  29          1HG       GLU  29 -12.822  -1.320   4.347
  274    H    ARG  30           H        ARG  30 -11.144   1.123   0.980
  275    HA   ARG  30           HA       ARG  30 -11.393   0.729  -1.932
  276   1HB   ARG  30          2HB       ARG  30 -13.438   1.607  -1.669
  277   2HB   ARG  30          1HB       ARG  30 -13.087   2.137  -0.032
  278   1HG   ARG  30          2HG       ARG  30 -11.680   3.962  -1.431
  279   2HG   ARG  30          1HG       ARG  30 -12.988   3.623  -2.567
  280   1HD   ARG  30          2HD       ARG  30 -13.444   4.289   0.333
  281   2HD   ARG  30          1HD       ARG  30 -13.395   5.508  -0.939
  282    HE   ARG  30           HE       ARG  30 -15.232   3.715  -1.829
  283   1HH1  ARG  30          1HH1      ARG  30 -14.837   5.519   1.129
  284   2HH1  ARG  30          2HH1      ARG  30 -16.538   5.625   1.441
  285   1HH2  ARG  30          1HH2      ARG  30 -17.472   3.852  -1.422
  286   2HH2  ARG  30          2HH2      ARG  30 -18.034   4.678  -0.008
  287    H    ALA  31           H        ALA  31 -10.363   3.058   0.556
  288    HA   ALA  31           HA       ALA  31  -9.239   4.975  -1.084
  289   1HB   ALA  31          1HB       ALA  31  -7.904   5.669   0.809
  290   2HB   ALA  31          2HB       ALA  31  -8.258   4.151   1.631
  291   3HB   ALA  31          3HB       ALA  31  -9.558   5.299   1.301
  292    H    ARG  32           H        ARG  32  -8.292   1.846  -1.147
  293    HA   ARG  32           HA       ARG  32  -5.472   2.512  -1.636
  294   1HB   ARG  32          2HB       ARG  32  -6.408   0.515  -0.138
  295   2HB   ARG  32          1HB       ARG  32  -6.389  -0.301  -1.687
  296   1HG   ARG  32          2HG       ARG  32  -4.061   1.000  -0.295
  297   2HG   ARG  32          1HG       ARG  32  -4.326  -0.733  -0.542
  298   1HD   ARG  32          2HD       ARG  32  -4.371   0.995  -2.943
  299   2HD   ARG  32          1HD       ARG  32  -2.797   0.755  -2.164
  300    HE   ARG  32           HE       ARG  32  -4.436  -1.576  -2.886
  301   1HH1  ARG  32          1HH1      ARG  32  -1.539   0.324  -3.295
  302   2HH1  ARG  32          2HH1      ARG  32  -0.711  -0.901  -4.196
  303   1HH2  ARG  32          1HH2      ARG  32  -3.351  -3.189  -4.073
  304   2HH2  ARG  32          2HH2      ARG  32  -1.740  -2.896  -4.638
  305    H    ALA  33           H        ALA  33  -8.221   0.745  -2.999
  306    HA   ALA  33           HA       ALA  33  -7.005   0.037  -5.405
  307   1HB   ALA  33          1HB       ALA  33  -9.002  -1.002  -4.964
  308   2HB   ALA  33          2HB       ALA  33  -9.408   0.087  -6.293
  309   3HB   ALA  33          3HB       ALA  33  -9.856   0.505  -4.635
  310    H    LYS  34           H        LYS  34  -7.739   3.038  -4.161
  311    HA   LYS  34           HA       LYS  34  -8.313   4.580  -6.451
  312   1HB   LYS  34          2HB       LYS  34  -6.585   5.589  -4.192
  313   2HB   LYS  34          1HB       LYS  34  -7.832   6.449  -5.098
  314   1HG   LYS  34          2HG       LYS  34  -8.288   4.261  -3.084
  315   2HG   LYS  34          1HG       LYS  34  -8.505   5.992  -2.801
  316   1HD   LYS  34          2HD       LYS  34  -9.946   4.647  -5.041
  317   2HD   LYS  34          1HD       LYS  34 -10.563   4.512  -3.396
  318   1HE   LYS  34          2HE       LYS  34  -9.867   7.185  -4.552
  319   2HE   LYS  34          1HE       LYS  34 -11.419   6.431  -4.915
  320   1HZ   LYS  34          1HZ       LYS  34 -12.162   6.742  -2.821
  321   2HZ   LYS  34          2HZ       LYS  34 -11.036   8.003  -2.826
  322   3HZ   LYS  34          3HZ       LYS  34 -10.642   6.523  -2.110
  323    H    TRP  35           H        TRP  35  -5.440   3.418  -4.915
  324    HA   TRP  35           HA       TRP  35  -3.575   4.632  -6.738
  325   1HB   TRP  35          2HB       TRP  35  -2.892   2.348  -4.921
  326   2HB   TRP  35          1HB       TRP  35  -1.922   3.765  -5.344
  327    HD1  TRP  35           HD       TRP  35  -2.858   2.534  -2.383
  328    HE1  TRP  35           1HE      TRP  35  -3.797   4.210  -0.696
  329    HE3  TRP  35           3HE      TRP  35  -4.120   6.315  -5.582
  330    HZ2  TRP  35           2HZ      TRP  35  -4.928   6.754  -0.696
  331    HZ3  TRP  35           3HZ      TRP  35  -5.146   8.347  -4.647
  332    HH2  TRP  35           HH       TRP  35  -5.537   8.568  -2.245
  333    H    ASP  36           H        ASP  36  -5.160   1.562  -6.268
  334    HA   ASP  36           HA       ASP  36  -3.697  -0.177  -7.790
  335   1HB   ASP  36          2HB       ASP  36  -6.254  -0.122  -6.641
  336   2HB   ASP  36          1HB       ASP  36  -6.503  -0.559  -8.330
  Start of MODEL   17
    1   1H    MET   1          1HT       MET   1  14.891  -5.312   7.731
    2   2H    MET   1          2HT       MET   1  13.874  -6.156   8.787
    3   3H    MET   1          3HT       MET   1  15.153  -5.235   9.400
    4    HA   MET   1           HA       MET   1  14.141  -3.212   8.794
    5   1HB   MET   1          2HB       MET   1  11.656  -3.814   7.759
    6   2HB   MET   1          1HB       MET   1  13.043  -3.218   6.863
    7   1HG   MET   1          2HG       MET   1  12.137  -5.108   5.734
    8   2HG   MET   1          1HG       MET   1  13.707  -5.547   6.404
    9   1HE   MET   1          1HE       MET   1  10.467  -4.873   7.958
   10   2HE   MET   1          2HE       MET   1  10.458  -6.067   9.260
   11   3HE   MET   1          3HE       MET   1   9.583  -6.390   7.763
   12    H    TRP   2           H        TRP   2  11.175  -3.171   9.061
   13    HA   TRP   2           HA       TRP   2  11.010  -4.062  11.867
   14   1HB   TRP   2          2HB       TRP   2   9.211  -1.875  11.223
   15   2HB   TRP   2          1HB       TRP   2  10.429  -1.980  12.507
   16    HD1  TRP   2           HD       TRP   2  12.631  -0.547  12.102
   17    HE1  TRP   2           1HE      TRP   2  13.440   0.936  10.145
   18    HE3  TRP   2           3HE      TRP   2   9.085  -1.769   8.719
   19    HZ2  TRP   2           2HZ      TRP   2  12.618   1.482   7.471
   20    HZ3  TRP   2           3HZ      TRP   2   9.130  -0.765   6.499
   21    HH2  TRP   2           HH       TRP   2  10.870   0.828   5.875
   22    H    LYS   3           H        LYS   3   8.616  -2.746   9.583
   23    HA   LYS   3           HA       LYS   3   6.995  -5.135  10.056
   24   1HB   LYS   3          2HB       LYS   3   4.998  -3.727   9.877
   25   2HB   LYS   3          1HB       LYS   3   6.024  -3.268  11.223
   26   1HG   LYS   3          2HG       LYS   3   6.051  -1.877   8.557
   27   2HG   LYS   3          1HG       LYS   3   5.043  -1.376   9.918
   28   1HD   LYS   3          2HD       LYS   3   7.034  -1.049  11.279
   29   2HD   LYS   3          1HD       LYS   3   8.032  -1.608   9.930
   30   1HE   LYS   3          2HE       LYS   3   7.666   0.960  10.374
   31   2HE   LYS   3          1HE       LYS   3   7.748   0.311   8.737
   32   1HZ   LYS   3          1HZ       LYS   3   5.359   0.307   8.620
   33   2HZ   LYS   3          2HZ       LYS   3   5.885   1.854   9.060
   34   3HZ   LYS   3          3HZ       LYS   3   5.230   0.821  10.228
   35    H    VAL   4           H        VAL   4   8.204  -2.950   7.715
   36    HA   VAL   4           HA       VAL   4   6.679  -3.072   5.523
   37    HB   VAL   4           HB       VAL   4   8.675  -1.937   5.283
   38   1HG1  VAL   4          1HG1      VAL   4  10.067  -4.495   6.011
   39   2HG1  VAL   4          2HG1      VAL   4   9.920  -3.049   7.012
   40   3HG1  VAL   4          3HG1      VAL   4  10.878  -3.005   5.531
   41   1HG2  VAL   4          1HG2      VAL   4   8.899  -4.473   3.687
   42   2HG2  VAL   4          2HG2      VAL   4   9.927  -3.062   3.432
   43   3HG2  VAL   4          3HG2      VAL   4   8.183  -2.941   3.179
   44    H    GLY   5           H        GLY   5   8.741  -5.722   6.643
   45   1HA   GLY   5          2HA       GLY   5   8.816  -7.513   4.695
   46   2HA   GLY   5          1HA       GLY   5   8.364  -8.011   6.318
   47    H    PHE   6           H        PHE   6   5.923  -6.857   6.582
   48    HA   PHE   6           HA       PHE   6   4.377  -8.072   4.449
   49   1HB   PHE   6          2HB       PHE   6   3.179  -7.845   7.068
   50   2HB   PHE   6          1HB       PHE   6   3.018  -9.139   5.903
   51    HD1  PHE   6           1HD      PHE   6   4.291  -8.280   9.043
   52    HD2  PHE   6           2HD      PHE   6   5.241 -10.541   5.564
   53    HE1  PHE   6           1HE      PHE   6   5.851  -9.652  10.364
   54    HE2  PHE   6           2HE      PHE   6   6.799 -11.917   6.878
   55    HZ   PHE   6           HZ       PHE   6   7.106 -11.474   9.282
   56    H    PHE   7           H        PHE   7   5.229  -5.231   5.903
   57    HA   PHE   7           HA       PHE   7   2.609  -4.037   5.789
   58   1HB   PHE   7          2HB       PHE   7   5.271  -3.239   6.775
   59   2HB   PHE   7          1HB       PHE   7   4.231  -1.927   6.200
   60    HD1  PHE   7           1HD      PHE   7   3.236  -0.857   7.974
   61    HD2  PHE   7           2HD      PHE   7   3.596  -5.090   8.036
   62    HE1  PHE   7           1HE      PHE   7   1.966  -0.928  10.081
   63    HE2  PHE   7           2HE      PHE   7   2.325  -5.176  10.142
   64    HZ   PHE   7           HZ       PHE   7   1.507  -3.090  11.165
   65    H    LYS   8           H        LYS   8   5.477  -4.071   3.851
   66    HA   LYS   8           HA       LYS   8   4.898  -1.930   2.143
   67   1HB   LYS   8          2HB       LYS   8   6.489  -2.944   0.638
   68   2HB   LYS   8          1HB       LYS   8   7.055  -3.205   2.286
   69   1HG   LYS   8          2HG       LYS   8   5.573  -5.414   1.934
   70   2HG   LYS   8          1HG       LYS   8   6.137  -5.139   0.280
   71   1HD   LYS   8          2HD       LYS   8   8.460  -4.854   1.398
   72   2HD   LYS   8          1HD       LYS   8   7.709  -5.695   2.764
   73   1HE   LYS   8          2HE       LYS   8   8.412  -7.539   1.655
   74   2HE   LYS   8          1HE       LYS   8   6.928  -7.281   0.732
   75   1HZ   LYS   8          1HZ       LYS   8   9.403  -7.470  -0.330
   76   2HZ   LYS   8          2HZ       LYS   8   9.185  -5.794  -0.261
   77   3HZ   LYS   8          3HZ       LYS   8   8.072  -6.757  -1.094
   78    H    ARG   9           H        ARG   9   3.560  -5.058   2.521
   79    HA   ARG   9           HA       ARG   9   2.102  -4.864  -0.021
   80   1HB   ARG   9          2HB       ARG   9   1.709  -7.354   0.382
   81   2HB   ARG   9          1HB       ARG   9   3.328  -6.858  -0.086
   82   1HG   ARG   9          2HG       ARG   9   3.098  -6.824   2.771
   83   2HG   ARG   9          1HG       ARG   9   2.572  -8.386   2.139
   84   1HD   ARG   9          2HD       ARG   9   5.132  -7.079   1.275
   85   2HD   ARG   9          1HD       ARG   9   5.039  -8.114   2.698
   86    HE   ARG   9           HE       ARG   9   4.574  -9.957   1.296
   87   1HH1  ARG   9          1HH1      ARG   9   5.218  -7.023  -0.468
   88   2HH1  ARG   9          2HH1      ARG   9   5.520  -7.838  -1.965
   89   1HH2  ARG   9          1HH2      ARG   9   4.973 -11.040  -0.669
   90   2HH2  ARG   9          2HH2      ARG   9   5.379 -10.121  -2.080
   91    H    ASN  10           H        ASN  10   1.620  -6.360   3.178
   92    HA   ASN  10           HA       ASN  10  -1.180  -6.277   3.067
   93   1HB   ASN  10          2HB       ASN  10   0.686  -7.456   4.666
   94   2HB   ASN  10          1HB       ASN  10  -0.129  -6.334   5.747
   95   1HD2  ASN  10          1HD2      ASN  10  -2.586  -6.384   5.499
   96   2HD2  ASN  10          2HD2      ASN  10  -3.304  -7.953   5.418
   97    H    ARG  11           H        ARG  11   0.594  -4.766   5.661
   98    HA   ARG  11           HA       ARG  11  -1.348  -2.650   5.858
   99   1HB   ARG  11          2HB       ARG  11   0.656  -3.881   7.512
  100   2HB   ARG  11          1HB       ARG  11   0.734  -2.126   7.597
  101   1HG   ARG  11          2HG       ARG  11  -1.892  -3.506   7.896
  102   2HG   ARG  11          1HG       ARG  11  -0.774  -3.422   9.258
  103   1HD   ARG  11          2HD       ARG  11  -2.243  -1.234   7.863
  104   2HD   ARG  11          1HD       ARG  11  -2.022  -1.516   9.590
  105    HE   ARG  11           HE       ARG  11   0.160  -0.569   7.849
  106   1HH1  ARG  11          1HH1      ARG  11  -1.720  -0.371  10.778
  107   2HH1  ARG  11          2HH1      ARG  11  -0.712   0.842  11.494
  108   1HH2  ARG  11          1HH2      ARG  11   1.499   1.012   8.788
  109   2HH2  ARG  11          2HH2      ARG  11   1.116   1.632  10.361
  110   1H    LYS  12          1HT       LYS  12  10.255   1.678   0.899
  111   2H    LYS  12          2HT       LYS  12   9.172   1.252  -0.329
  112   3H    LYS  12          3HT       LYS  12  10.228   0.093   0.306
  113    HA   LYS  12           HA       LYS  12   7.806   0.055   1.067
  114   1HB   LYS  12          2HB       LYS  12   8.521  -1.090   2.936
  115   2HB   LYS  12          1HB       LYS  12  10.041  -0.972   2.060
  116   1HG   LYS  12          2HG       LYS  12   9.180   0.954   4.208
  117   2HG   LYS  12          1HG       LYS  12  10.194  -0.463   4.487
  118   1HD   LYS  12          2HD       LYS  12  10.867   1.784   2.587
  119   2HD   LYS  12          1HD       LYS  12  11.496   1.629   4.229
  120   1HE   LYS  12          2HE       LYS  12  11.888  -0.337   1.977
  121   2HE   LYS  12          1HE       LYS  12  13.097   0.793   2.590
  122   1HZ   LYS  12          1HZ       LYS  12  12.071  -0.725   4.726
  123   2HZ   LYS  12          2HZ       LYS  12  13.656  -0.666   4.140
  124   3HZ   LYS  12          3HZ       LYS  12  12.559  -1.780   3.495
  125    H    LEU  13           H        LEU  13   9.750   2.819   1.814
  126    HA   LEU  13           HA       LEU  13   8.011   3.834   3.852
  127   1HB   LEU  13          2HB       LEU  13  10.583   4.434   2.935
  128   2HB   LEU  13          1HB       LEU  13   9.630   5.867   2.595
  129    HG   LEU  13           HG       LEU  13   8.936   5.130   5.206
  130   1HD1  LEU  13          1HD1      LEU  13  11.263   5.244   6.245
  131   2HD1  LEU  13          2HD1      LEU  13  11.863   4.762   4.657
  132   3HD1  LEU  13          3HD1      LEU  13  10.762   3.705   5.542
  133   1HD2  LEU  13          1HD2      LEU  13   8.978   7.373   4.862
  134   2HD2  LEU  13          2HD2      LEU  13  10.430   7.307   3.862
  135   3HD2  LEU  13          3HD2      LEU  13  10.564   7.191   5.616
  136    H    LEU  14           H        LEU  14   6.796   3.131   1.353
  137    HA   LEU  14           HA       LEU  14   5.517   5.695   0.723
  138   1HB   LEU  14          2HB       LEU  14   6.444   5.472  -1.326
  139   2HB   LEU  14          1HB       LEU  14   6.804   3.774  -1.088
  140    HG   LEU  14           HG       LEU  14   4.339   3.329  -1.547
  141   1HD1  LEU  14          1HD1      LEU  14   3.509   5.589  -1.215
  142   2HD1  LEU  14          2HD1      LEU  14   3.174   5.046  -2.860
  143   3HD1  LEU  14          3HD1      LEU  14   4.500   6.167  -2.554
  144   1HD2  LEU  14          1HD2      LEU  14   4.664   3.574  -4.015
  145   2HD2  LEU  14          2HD2      LEU  14   5.984   2.757  -3.179
  146   3HD2  LEU  14          3HD2      LEU  14   6.160   4.440  -3.673
  147    H    ILE  15           H        ILE  15   5.360   2.265   1.201
  148    HA   ILE  15           HA       ILE  15   2.426   2.428   1.357
  149    HB   ILE  15           HB       ILE  15   2.703   1.012  -0.442
  150   1HG1  ILE  15          2HG1      ILE  15   2.202  -1.255   0.279
  151   2HG1  ILE  15          1HG1      ILE  15   2.868  -0.926   1.875
  152   1HG2  ILE  15          1HG2      ILE  15   4.491  -0.896  -0.275
  153   2HG2  ILE  15          2HG2      ILE  15   5.230   0.188   0.904
  154   3HG2  ILE  15          3HG2      ILE  15   4.959   0.736  -0.751
  155   1HD1  ILE  15          1HD1      ILE  15   0.638  -0.728   2.281
  156   2HD1  ILE  15          2HD1      ILE  15   0.285  -0.075   0.681
  157   3HD1  ILE  15          3HD1      ILE  15   1.045   0.948   1.904
  158    H    THR  16           H        THR  16   5.119   0.369   2.452
  159    HA   THR  16           HA       THR  16   4.084  -0.984   4.523
  160    HB   THR  16           HB       THR  16   6.744   0.313   4.132
  161    HG1  THR  16           1HG      THR  16   7.237  -1.615   3.521
  162   1HG2  THR  16          1HG2      THR  16   7.046   0.460   6.353
  163   2HG2  THR  16          2HG2      THR  16   7.353  -1.268   6.191
  164   3HG2  THR  16          3HG2      THR  16   5.770  -0.700   6.720
  165    H    ILE  17           H        ILE  17   5.712   2.078   5.072
  166    HA   ILE  17           HA       ILE  17   4.306   2.447   7.612
  167    HB   ILE  17           HB       ILE  17   6.679   2.544   7.745
  168   1HG1  ILE  17          2HG1      ILE  17   7.068   5.060   8.230
  169   2HG1  ILE  17          1HG1      ILE  17   5.366   5.256   7.825
  170   1HG2  ILE  17          1HG2      ILE  17   7.212   2.811   5.434
  171   2HG2  ILE  17          2HG2      ILE  17   7.967   4.155   6.311
  172   3HG2  ILE  17          3HG2      ILE  17   6.475   4.427   5.391
  173   1HD1  ILE  17          1HD1      ILE  17   6.180   3.222   9.849
  174   2HD1  ILE  17          2HD1      ILE  17   4.658   4.106   9.676
  175   3HD1  ILE  17          3HD1      ILE  17   6.091   4.932  10.291
  176    H    HIS  18           H        HIS  18   5.047   4.104   4.613
  177    HA   HIS  18           HA       HIS  18   3.950   6.588   5.208
  178   1HB   HIS  18          2HB       HIS  18   5.482   6.360   3.404
  179   2HB   HIS  18          1HB       HIS  18   4.489   5.121   2.634
  180    HD1  HIS  18           1HD      HIS  18   2.014   6.121   1.964
  181    HD2  HIS  18           2HD      HIS  18   5.190   8.769   2.193
  182    HE1  HIS  18           1HE      HIS  18   1.320   8.114   0.577
  183    HE2  HIS  18           2HE      HIS  18   3.254   9.723   0.761
  184    H    ASP  19           H        ASP  19   2.331   3.638   4.602
  185    HA   ASP  19           HA       ASP  19   0.020   4.616   3.306
  186   1HB   ASP  19          2HB       ASP  19   0.446   2.279   3.292
  187   2HB   ASP  19          1HB       ASP  19   0.438   2.189   5.045
  188    H    ARG  20           H        ARG  20   0.553   3.871   6.763
  189    HA   ARG  20           HA       ARG  20  -1.942   4.871   7.606
  190   1HB   ARG  20          2HB       ARG  20  -0.636   5.118   9.864
  191   2HB   ARG  20          1HB       ARG  20  -0.976   3.522   9.210
  192   1HG   ARG  20          2HG       ARG  20   1.208   3.115   8.694
  193   2HG   ARG  20          1HG       ARG  20   1.588   4.824   8.466
  194   1HD   ARG  20          2HD       ARG  20   2.480   3.527  10.561
  195   2HD   ARG  20          1HD       ARG  20   1.915   5.191  10.709
  196    HE   ARG  20           HE       ARG  20  -0.241   3.454  11.173
  197   1HH1  ARG  20          1HH1      ARG  20   2.761   4.430  12.644
  198   2HH1  ARG  20          2HH1      ARG  20   2.212   4.138  14.261
  199   1HH2  ARG  20          1HH2      ARG  20  -0.973   3.067  13.295
  200   2HH2  ARG  20          2HH2      ARG  20   0.090   3.361  14.630
  201    H    LYS  21           H        LYS  21   0.466   6.465   6.183
  202    HA   LYS  21           HA       LYS  21   0.306   8.948   7.696
  203   1HB   LYS  21          2HB       LYS  21   2.474   8.751   6.999
  204   2HB   LYS  21          1HB       LYS  21   2.032   7.762   5.604
  205   1HG   LYS  21          2HG       LYS  21   1.318   9.733   4.398
  206   2HG   LYS  21          1HG       LYS  21   1.658  10.743   5.799
  207   1HD   LYS  21          2HD       LYS  21   3.977   9.201   5.182
  208   2HD   LYS  21          1HD       LYS  21   3.402   9.992   3.711
  209   1HE   LYS  21          2HE       LYS  21   4.168  11.266   6.330
  210   2HE   LYS  21          1HE       LYS  21   4.927  11.489   4.754
  211   1HZ   LYS  21          1HZ       LYS  21   2.432  12.255   4.225
  212   2HZ   LYS  21          2HZ       LYS  21   3.646  13.319   4.728
  213   3HZ   LYS  21          3HZ       LYS  21   2.536  12.714   5.850
  214    H    GLU  22           H        GLU  22  -0.128   7.839   4.375
  215    HA   GLU  22           HA       GLU  22  -1.336  10.184   3.406
  216   1HB   GLU  22          2HB       GLU  22  -2.064   8.512   1.541
  217   2HB   GLU  22          1HB       GLU  22  -0.365   8.902   1.761
  218   1HG   GLU  22          2HG       GLU  22   0.154   6.848   2.585
  219   2HG   GLU  22          1HG       GLU  22  -1.460   6.576   3.250
  220    H    PHE  23           H        PHE  23  -3.208   7.474   2.536
  221    HA   PHE  23           HA       PHE  23  -5.470   8.495   4.124
  222   1HB   PHE  23          2HB       PHE  23  -5.260   7.716   1.249
  223   2HB   PHE  23          1HB       PHE  23  -6.795   7.486   2.081
  224    HD1  PHE  23           1HD      PHE  23  -8.315   9.156   1.768
  225    HD2  PHE  23           2HD      PHE  23  -4.179  10.147   1.868
  226    HE1  PHE  23           1HE      PHE  23  -8.877  11.520   1.388
  227    HE2  PHE  23           2HE      PHE  23  -4.732  12.514   1.488
  228    HZ   PHE  23           HZ       PHE  23  -7.086  13.204   1.249
  229    H    ALA  24           H        ALA  24  -3.929   6.473   5.202
  230    HA   ALA  24           HA       ALA  24  -4.824   3.875   4.574
  231   1HB   ALA  24          1HB       ALA  24  -2.873   3.832   5.775
  232   2HB   ALA  24          2HB       ALA  24  -4.053   3.446   7.030
  233   3HB   ALA  24          3HB       ALA  24  -3.409   5.085   6.896
  234    H    LYS  25           H        LYS  25  -6.505   6.426   5.874
  235    HA   LYS  25           HA       LYS  25  -8.024   5.442   7.941
  236   1HB   LYS  25          2HB       LYS  25  -9.923   6.846   6.719
  237   2HB   LYS  25          1HB       LYS  25  -8.566   7.624   7.523
  238   1HG   LYS  25          2HG       LYS  25  -7.962   6.977   4.767
  239   2HG   LYS  25          1HG       LYS  25  -9.385   8.008   4.913
  240   1HD   LYS  25          2HD       LYS  25  -7.216   8.841   6.663
  241   2HD   LYS  25          1HD       LYS  25  -6.751   8.842   4.961
  242   1HE   LYS  25          2HE       LYS  25  -9.134  10.020   4.740
  243   2HE   LYS  25          1HE       LYS  25  -8.751  10.497   6.393
  244   1HZ   LYS  25          1HZ       LYS  25  -6.549  11.268   5.457
  245   2HZ   LYS  25          2HZ       LYS  25  -7.905  12.189   5.039
  246   3HZ   LYS  25          3HZ       LYS  25  -7.243  11.105   3.921
  247    H    PHE  26           H        PHE  26  -8.678   5.099   4.457
  248    HA   PHE  26           HA       PHE  26 -10.362   2.792   5.123
  249   1HB   PHE  26          2HB       PHE  26 -11.242   3.531   2.632
  250   2HB   PHE  26          1HB       PHE  26 -12.050   3.907   4.149
  251    HD1  PHE  26           1HD      PHE  26 -12.477   6.108   4.698
  252    HD2  PHE  26           2HD      PHE  26  -9.468   5.220   1.832
  253    HE1  PHE  26           1HE      PHE  26 -12.229   8.506   4.222
  254    HE2  PHE  26           2HE      PHE  26  -9.207   7.608   1.350
  255    HZ   PHE  26           HZ       PHE  26 -10.591   9.266   2.544
  256    H    GLU  27           H        GLU  27  -7.447   3.271   4.276
  257    HA   GLU  27           HA       GLU  27  -7.281   1.845   1.783
  258   1HB   GLU  27          2HB       GLU  27  -5.455   3.242   3.548
  259   2HB   GLU  27          1HB       GLU  27  -4.773   1.722   2.979
  260   1HG   GLU  27          2HG       GLU  27  -5.926   2.855   0.730
  261   2HG   GLU  27          1HG       GLU  27  -5.182   4.208   1.585
  262    H    GLU  28           H        GLU  28  -8.377   0.851   4.525
  263    HA   GLU  28           HA       GLU  28  -7.123  -1.805   4.372
  264   1HB   GLU  28          2HB       GLU  28  -8.197  -0.322   6.780
  265   2HB   GLU  28          1HB       GLU  28  -7.826  -2.043   6.793
  266   1HG   GLU  28          2HG       GLU  28  -5.747  -0.076   5.949
  267   2HG   GLU  28          1HG       GLU  28  -6.086  -0.328   7.662
  268    H    GLU  29           H        GLU  29  -9.696  -0.019   3.603
  269    HA   GLU  29           HA       GLU  29 -11.609  -2.234   3.919
  270   1HB   GLU  29          2HB       GLU  29 -12.013   0.750   4.056
  271   2HB   GLU  29          1HB       GLU  29 -13.348  -0.345   3.709
  272   1HG   GLU  29          2HG       GLU  29 -12.015  -1.365   5.973
  273   2HG   GLU  29          1HG       GLU  29 -12.217   0.369   6.223
  274    H    ARG  30           H        ARG  30 -11.483   0.758   1.979
  275    HA   ARG  30           HA       ARG  30 -11.897  -0.897  -0.424
  276   1HB   ARG  30          2HB       ARG  30 -13.701   0.290  -0.963
  277   2HB   ARG  30          1HB       ARG  30 -13.615   1.015   0.635
  278   1HG   ARG  30          2HG       ARG  30 -13.550   2.936  -0.497
  279   2HG   ARG  30          1HG       ARG  30 -11.841   2.556  -0.718
  280   1HD   ARG  30          2HD       ARG  30 -12.947   3.189  -2.828
  281   2HD   ARG  30          1HD       ARG  30 -12.312   1.544  -2.865
  282    HE   ARG  30           HE       ARG  30 -14.485   0.724  -2.913
  283   1HH1  ARG  30          1HH1      ARG  30 -14.470   4.188  -2.541
  284   2HH1  ARG  30          2HH1      ARG  30 -16.156   4.363  -2.896
  285   1HH2  ARG  30          1HH2      ARG  30 -16.706   0.945  -3.380
  286   2HH2  ARG  30          2HH2      ARG  30 -17.426   2.520  -3.372
  287    H    ALA  31           H        ALA  31 -10.405   2.031   0.870
  288    HA   ALA  31           HA       ALA  31  -9.226   2.946  -1.498
  289   1HB   ALA  31          1HB       ALA  31  -8.722   4.613  -0.153
  290   2HB   ALA  31          2HB       ALA  31  -7.492   3.605   0.603
  291   3HB   ALA  31          3HB       ALA  31  -9.130   3.637   1.260
  292    H    ARG  32           H        ARG  32  -8.736   0.001  -0.385
  293    HA   ARG  32           HA       ARG  32  -5.852   0.007  -0.948
  294   1HB   ARG  32          2HB       ARG  32  -7.015  -1.046   1.196
  295   2HB   ARG  32          1HB       ARG  32  -7.183  -2.414   0.118
  296   1HG   ARG  32          2HG       ARG  32  -4.618  -1.021   0.858
  297   2HG   ARG  32          1HG       ARG  32  -5.156  -2.611   1.425
  298   1HD   ARG  32          2HD       ARG  32  -5.035  -2.118  -1.502
  299   2HD   ARG  32          1HD       ARG  32  -3.508  -2.354  -0.633
  300    HE   ARG  32           HE       ARG  32  -5.704  -4.324  -0.706
  301   1HH1  ARG  32          1HH1      ARG  32  -2.324  -3.513  -0.476
  302   2HH1  ARG  32          2HH1      ARG  32  -1.799  -5.164  -0.444
  303   1HH2  ARG  32          1HH2      ARG  32  -5.024  -6.497  -0.653
  304   2HH2  ARG  32          2HH2      ARG  32  -3.334  -6.860  -0.545
  305    H    ALA  33           H        ALA  33  -8.872  -1.733  -1.585
  306    HA   ALA  33           HA       ALA  33  -7.833  -3.503  -3.480
  307   1HB   ALA  33          1HB       ALA  33  -9.958  -3.981  -2.743
  308   2HB   ALA  33          2HB       ALA  33 -10.218  -3.461  -4.409
  309   3HB   ALA  33          3HB       ALA  33 -10.568  -2.361  -3.071
  310    H    LYS  34           H        LYS  34  -8.105  -0.181  -3.516
  311    HA   LYS  34           HA       LYS  34  -8.503   0.464  -6.221
  312   1HB   LYS  34          2HB       LYS  34  -6.516   1.906  -4.457
  313   2HB   LYS  34          1HB       LYS  34  -7.611   2.585  -5.663
  314   1HG   LYS  34          2HG       LYS  34  -8.394   1.431  -2.996
  315   2HG   LYS  34          1HG       LYS  34  -8.272   3.151  -3.388
  316   1HD   LYS  34          2HD       LYS  34 -10.007   1.424  -5.073
  317   2HD   LYS  34          1HD       LYS  34 -10.586   1.887  -3.473
  318   1HE   LYS  34          2HE       LYS  34  -9.619   3.829  -5.567
  319   2HE   LYS  34          1HE       LYS  34 -11.313   3.421  -5.296
  320   1HZ   LYS  34          1HZ       LYS  34 -11.401   4.656  -3.437
  321   2HZ   LYS  34          2HZ       LYS  34 -10.075   5.458  -4.115
  322   3HZ   LYS  34          3HZ       LYS  34  -9.831   4.260  -2.947
  323    H    TRP  35           H        TRP  35  -5.777  -0.471  -4.311
  324    HA   TRP  35           HA       TRP  35  -3.827  -0.380  -6.415
  325   1HB   TRP  35          2HB       TRP  35  -3.456  -1.881  -3.845
  326   2HB   TRP  35          1HB       TRP  35  -2.286  -0.904  -4.744
  327    HD1  TRP  35           HD       TRP  35  -3.368  -0.755  -1.565
  328    HE1  TRP  35           1HE      TRP  35  -3.979   1.563  -0.685
  329    HE3  TRP  35           3HE      TRP  35  -3.990   1.688  -6.012
  330    HZ2  TRP  35           2HZ      TRP  35  -4.638   4.069  -1.695
  331    HZ3  TRP  35           3HZ      TRP  35  -4.626   4.065  -5.960
  332    HH2  TRP  35           HH       TRP  35  -4.939   5.240  -3.841
  333    H    ASP  36           H        ASP  36  -5.885  -2.739  -4.881
  334    HA   ASP  36           HA       ASP  36  -4.753  -5.133  -5.638
  335   1HB   ASP  36          2HB       ASP  36  -7.245  -4.241  -4.616
  336   2HB   ASP  36          1HB       ASP  36  -7.580  -5.353  -5.941
  Start of MODEL   18
    1   1H    MET   1          1HT       MET   1  12.893  -7.012   9.121
    2   2H    MET   1          2HT       MET   1  14.099  -6.273  10.048
    3   3H    MET   1          3HT       MET   1  14.111  -6.114   8.364
    4    HA   MET   1           HA       MET   1  13.316  -4.106   9.494
    5   1HB   MET   1          2HB       MET   1  10.909  -4.482   8.192
    6   2HB   MET   1          1HB       MET   1  12.399  -3.881   7.485
    7   1HG   MET   1          2HG       MET   1  11.565  -5.600   6.092
    8   2HG   MET   1          1HG       MET   1  12.999  -6.220   6.910
    9   1HE   MET   1          1HE       MET   1   9.658  -5.426   8.155
   10   2HE   MET   1          2HE       MET   1   9.504  -6.691   9.379
   11   3HE   MET   1          3HE       MET   1   8.687  -6.865   7.826
   12    H    TRP   2           H        TRP   2  10.360  -3.887   9.499
   13    HA   TRP   2           HA       TRP   2   9.851  -4.994  12.185
   14   1HB   TRP   2          2HB       TRP   2   8.277  -2.630  11.544
   15   2HB   TRP   2          1HB       TRP   2   9.336  -2.927  12.937
   16    HD1  TRP   2           HD       TRP   2  11.701  -1.699  12.865
   17    HE1  TRP   2           1HE      TRP   2  12.824  -0.140  11.135
   18    HE3  TRP   2           3HE      TRP   2   8.392  -2.254   9.082
   19    HZ2  TRP   2           2HZ      TRP   2  12.319   0.716   8.461
   20    HZ3  TRP   2           3HZ      TRP   2   8.747  -1.069   6.980
   21    HH2  TRP   2           HH       TRP   2  10.678   0.387   6.671
   22    H    LYS   3           H        LYS   3   7.821  -3.345   9.767
   23    HA   LYS   3           HA       LYS   3   5.985  -5.638   9.860
   24   1HB   LYS   3          2HB       LYS   3   4.139  -4.050   9.554
   25   2HB   LYS   3          1HB       LYS   3   5.030  -3.748  11.039
   26   1HG   LYS   3          2HG       LYS   3   5.592  -2.238   8.503
   27   2HG   LYS   3          1HG       LYS   3   4.342  -1.738   9.647
   28   1HD   LYS   3          2HD       LYS   3   6.077  -1.675  11.422
   29   2HD   LYS   3          1HD       LYS   3   7.277  -2.046  10.182
   30   1HE   LYS   3          2HE       LYS   3   6.944   0.409  10.835
   31   2HE   LYS   3          1HE       LYS   3   7.016  -0.011   9.123
   32   1HZ   LYS   3          1HZ       LYS   3   5.017   1.384  10.399
   33   2HZ   LYS   3          2HZ       LYS   3   4.349  -0.139  10.098
   34   3HZ   LYS   3          3HZ       LYS   3   4.976   0.775   8.821
   35    H    VAL   4           H        VAL   4   7.562  -3.297   7.858
   36    HA   VAL   4           HA       VAL   4   6.288  -3.210   5.510
   37    HB   VAL   4           HB       VAL   4   8.325  -2.127   5.538
   38   1HG1  VAL   4          1HG1      VAL   4   9.292  -3.537   7.324
   39   2HG1  VAL   4          2HG1      VAL   4  10.438  -3.143   6.045
   40   3HG1  VAL   4          3HG1      VAL   4   9.694  -4.743   6.103
   41   1HG2  VAL   4          1HG2      VAL   4   7.827  -3.864   3.484
   42   2HG2  VAL   4          2HG2      VAL   4   9.488  -4.260   3.928
   43   3HG2  VAL   4          3HG2      VAL   4   9.066  -2.608   3.482
   44    H    GLY   5           H        GLY   5   8.271  -5.966   6.538
   45   1HA   GLY   5          2HA       GLY   5   8.380  -7.593   4.438
   46   2HA   GLY   5          1HA       GLY   5   7.921  -8.218   6.016
   47    H    PHE   6           H        PHE   6   5.450  -6.973   6.283
   48    HA   PHE   6           HA       PHE   6   3.932  -8.193   4.143
   49   1HB   PHE   6          2HB       PHE   6   2.568  -7.819   6.615
   50   2HB   PHE   6          1HB       PHE   6   2.619  -9.252   5.614
   51    HD1  PHE   6           1HD      PHE   6   3.547  -7.840   8.698
   52    HD2  PHE   6           2HD      PHE   6   4.868 -10.598   5.737
   53    HE1  PHE   6           1HE      PHE   6   5.015  -8.909  10.356
   54    HE2  PHE   6           2HE      PHE   6   6.338 -11.673   7.391
   55    HZ   PHE   6           HZ       PHE   6   6.414 -10.829   9.704
   56    H    PHE   7           H        PHE   7   4.738  -5.379   5.720
   57    HA   PHE   7           HA       PHE   7   2.221  -4.039   5.447
   58   1HB   PHE   7          2HB       PHE   7   4.752  -3.550   6.698
   59   2HB   PHE   7          1HB       PHE   7   4.258  -2.139   5.761
   60    HD1  PHE   7           1HD      PHE   7   3.463  -0.564   7.200
   61    HD2  PHE   7           2HD      PHE   7   2.308  -4.619   7.725
   62    HE1  PHE   7           1HE      PHE   7   1.929   0.117   9.000
   63    HE2  PHE   7           2HE      PHE   7   0.768  -3.953   9.532
   64    HZ   PHE   7           HZ       PHE   7   0.576  -1.580  10.167
   65    H    LYS   8           H        LYS   8   5.332  -3.826   3.794
   66    HA   LYS   8           HA       LYS   8   4.911  -1.764   2.068
   67   1HB   LYS   8          2HB       LYS   8   6.533  -2.812   0.619
   68   2HB   LYS   8          1HB       LYS   8   6.975  -3.166   2.285
   69   1HG   LYS   8          2HG       LYS   8   5.399  -5.281   1.717
   70   2HG   LYS   8          1HG       LYS   8   6.138  -4.971   0.141
   71   1HD   LYS   8          2HD       LYS   8   8.356  -4.880   1.436
   72   2HD   LYS   8          1HD       LYS   8   7.455  -5.646   2.751
   73   1HE   LYS   8          2HE       LYS   8   7.737  -7.619   1.772
   74   2HE   LYS   8          1HE       LYS   8   6.830  -7.035   0.375
   75   1HZ   LYS   8          1HZ       LYS   8   8.678  -6.944  -0.826
   76   2HZ   LYS   8          2HZ       LYS   8   9.476  -7.760   0.421
   77   3HZ   LYS   8          3HZ       LYS   8   9.510  -6.071   0.360
   78    H    ARG   9           H        ARG   9   3.503  -4.918   2.090
   79    HA   ARG   9           HA       ARG   9   2.249  -4.512  -0.521
   80   1HB   ARG   9          2HB       ARG   9   1.687  -6.970  -0.251
   81   2HB   ARG   9          1HB       ARG   9   3.389  -6.564  -0.438
   82   1HG   ARG   9          2HG       ARG   9   2.795  -6.543   2.332
   83   2HG   ARG   9          1HG       ARG   9   2.149  -8.033   1.638
   84   1HD   ARG   9          2HD       ARG   9   4.942  -7.065   1.083
   85   2HD   ARG   9          1HD       ARG   9   4.555  -8.090   2.465
   86    HE   ARG   9           HE       ARG   9   4.554  -8.862  -0.338
   87   1HH1  ARG   9          1HH1      ARG   9   3.777  -9.681   2.955
   88   2HH1  ARG   9          2HH1      ARG   9   3.673 -11.382   2.646
   89   1HH2  ARG   9          1HH2      ARG   9   4.417 -11.103  -0.758
   90   2HH2  ARG   9          2HH2      ARG   9   4.037 -12.190   0.535
   91    H    ASN  10           H        ASN  10   1.514  -5.280   2.855
   92    HA   ASN  10           HA       ASN  10  -1.313  -5.370   2.421
   93   1HB   ASN  10          2HB       ASN  10   0.151  -6.521   4.253
   94   2HB   ASN  10          1HB       ASN  10  -0.202  -5.040   5.127
   95   1HD2  ASN  10          1HD2      ASN  10  -2.785  -4.586   4.100
   96   2HD2  ASN  10          2HD2      ASN  10  -3.835  -5.802   4.734
   97    H    ARG  11           H        ARG  11   0.385  -3.436   4.793
   98    HA   ARG  11           HA       ARG  11  -1.557  -1.316   4.529
   99   1HB   ARG  11          2HB       ARG  11   0.402  -2.217   6.468
  100   2HB   ARG  11          1HB       ARG  11   0.363  -0.468   6.289
  101   1HG   ARG  11          2HG       ARG  11  -1.122  -1.080   8.057
  102   2HG   ARG  11          1HG       ARG  11  -2.087  -0.536   6.682
  103   1HD   ARG  11          2HD       ARG  11  -3.046  -2.539   7.695
  104   2HD   ARG  11          1HD       ARG  11  -2.508  -2.851   6.046
  105    HE   ARG  11           HE       ARG  11  -0.399  -3.712   7.326
  106   1HH1  ARG  11          1HH1      ARG  11  -3.742  -4.097   8.228
  107   2HH1  ARG  11          2HH1      ARG  11  -3.485  -5.602   9.045
  108   1HH2  ARG  11          1HH2      ARG  11  -0.049  -5.696   8.404
  109   2HH2  ARG  11          2HH2      ARG  11  -1.386  -6.511   9.145
  110   1H    LYS  12          1HT       LYS  12  10.070   1.592   0.484
  111   2H    LYS  12          2HT       LYS  12  10.854   0.221   1.086
  112   3H    LYS  12          3HT       LYS  12  10.957   1.688   1.923
  113    HA   LYS  12           HA       LYS  12   8.376   0.337   1.443
  114   1HB   LYS  12          2HB       LYS  12   8.601  -0.938   3.376
  115   2HB   LYS  12          1HB       LYS  12  10.224  -1.009   2.706
  116   1HG   LYS  12          2HG       LYS  12   9.334   0.887   4.872
  117   2HG   LYS  12          1HG       LYS  12  10.182  -0.638   5.137
  118   1HD   LYS  12          2HD       LYS  12  11.210   1.808   3.709
  119   2HD   LYS  12          1HD       LYS  12  11.805   1.116   5.218
  120   1HE   LYS  12          2HE       LYS  12  11.886  -0.257   2.536
  121   2HE   LYS  12          1HE       LYS  12  13.240   0.616   3.255
  122   1HZ   LYS  12          1HZ       LYS  12  13.647  -1.566   3.845
  123   2HZ   LYS  12          2HZ       LYS  12  12.015  -1.926   4.105
  124   3HZ   LYS  12          3HZ       LYS  12  12.859  -0.979   5.223
  125    H    LEU  13           H        LEU  13  10.321   2.864   2.792
  126    HA   LEU  13           HA       LEU  13   8.296   3.849   4.558
  127   1HB   LEU  13          2HB       LEU  13  10.995   4.260   4.320
  128   2HB   LEU  13          1HB       LEU  13  10.335   5.769   3.712
  129    HG   LEU  13           HG       LEU  13   8.891   5.289   6.040
  130   1HD1  LEU  13          1HD1      LEU  13  11.806   4.723   6.548
  131   2HD1  LEU  13          2HD1      LEU  13  10.511   3.528   6.624
  132   3HD1  LEU  13          3HD1      LEU  13  10.534   4.878   7.759
  133   1HD2  LEU  13          1HD2      LEU  13   9.379   7.470   5.870
  134   2HD2  LEU  13          2HD2      LEU  13  10.916   7.166   5.059
  135   3HD2  LEU  13          3HD2      LEU  13  10.810   7.055   6.816
  136    H    LEU  14           H        LEU  14   7.392   3.433   1.919
  137    HA   LEU  14           HA       LEU  14   6.458   6.132   1.282
  138   1HB   LEU  14          2HB       LEU  14   7.719   6.039  -0.586
  139   2HB   LEU  14          1HB       LEU  14   7.978   4.313  -0.437
  140    HG   LEU  14           HG       LEU  14   5.588   4.060  -1.354
  141   1HD1  LEU  14          1HD1      LEU  14   5.272   6.632  -1.014
  142   2HD1  LEU  14          2HD1      LEU  14   4.552   5.822  -2.405
  143   3HD1  LEU  14          3HD1      LEU  14   6.049   6.734  -2.593
  144   1HD2  LEU  14          1HD2      LEU  14   8.126   4.471  -2.636
  145   2HD2  LEU  14          2HD2      LEU  14   6.814   5.021  -3.680
  146   3HD2  LEU  14          3HD2      LEU  14   6.820   3.367  -3.067
  147    H    ILE  15           H        ILE  15   6.020   2.670   1.249
  148    HA   ILE  15           HA       ILE  15   3.122   3.077   0.963
  149    HB   ILE  15           HB       ILE  15   4.462   1.881  -0.917
  150   1HG1  ILE  15          2HG1      ILE  15   2.152   1.998  -1.199
  151   2HG1  ILE  15          1HG1      ILE  15   2.479   0.271  -1.248
  152   1HG2  ILE  15          1HG2      ILE  15   3.976  -0.522   0.804
  153   2HG2  ILE  15          2HG2      ILE  15   5.534   0.306   0.738
  154   3HG2  ILE  15          3HG2      ILE  15   4.856  -0.419  -0.720
  155   1HD1  ILE  15          1HD1      ILE  15   1.600  -0.056   0.905
  156   2HD1  ILE  15          2HD1      ILE  15   0.469   1.019   0.079
  157   3HD1  ILE  15          3HD1      ILE  15   1.612   1.677   1.253
  158    H    THR  16           H        THR  16   5.638   1.017   2.400
  159    HA   THR  16           HA       THR  16   4.065  -0.636   3.964
  160    HB   THR  16           HB       THR  16   6.831   0.481   4.302
  161    HG1  THR  16           1HG      THR  16   7.038  -1.172   3.031
  162   1HG2  THR  16          1HG2      THR  16   5.895  -1.667   6.134
  163   2HG2  THR  16          2HG2      THR  16   5.661   0.025   6.574
  164   3HG2  THR  16          3HG2      THR  16   7.285  -0.591   6.271
  165    H    ILE  17           H        ILE  17   5.904   1.975   5.318
  166    HA   ILE  17           HA       ILE  17   4.108   2.305   7.563
  167    HB   ILE  17           HB       ILE  17   6.427   2.181   8.038
  168   1HG1  ILE  17          2HG1      ILE  17   6.944   4.609   8.808
  169   2HG1  ILE  17          1HG1      ILE  17   5.327   4.979   8.215
  170   1HG2  ILE  17          1HG2      ILE  17   7.329   2.578   5.882
  171   2HG2  ILE  17          2HG2      ILE  17   8.019   3.814   6.954
  172   3HG2  ILE  17          3HG2      ILE  17   6.696   4.237   5.849
  173   1HD1  ILE  17          1HD1      ILE  17   5.732   2.717  10.119
  174   2HD1  ILE  17          2HD1      ILE  17   4.300   3.714   9.831
  175   3HD1  ILE  17          3HD1      ILE  17   5.679   4.384  10.704
  176    H    HIS  18           H        HIS  18   5.390   4.219   4.900
  177    HA   HIS  18           HA       HIS  18   4.365   6.707   5.628
  178   1HB   HIS  18          2HB       HIS  18   6.086   6.602   4.003
  179   2HB   HIS  18          1HB       HIS  18   5.182   5.447   3.020
  180    HD1  HIS  18           1HD      HIS  18   2.998   6.452   1.883
  181    HD2  HIS  18           2HD      HIS  18   5.818   9.196   3.179
  182    HE1  HIS  18           1HE      HIS  18   2.464   8.590   0.649
  183    HE2  HIS  18           2HE      HIS  18   4.239  10.217   1.397
  184    H    ASP  19           H        ASP  19   2.705   3.951   4.649
  185    HA   ASP  19           HA       ASP  19   0.638   5.186   3.145
  186   1HB   ASP  19          2HB       ASP  19   0.719   3.018   2.637
  187   2HB   ASP  19          1HB       ASP  19   1.178   2.503   4.243
  188    H    ARG  20           H        ARG  20   1.029   4.503   6.593
  189    HA   ARG  20           HA       ARG  20  -1.706   5.139   7.212
  190   1HB   ARG  20          2HB       ARG  20  -0.842   5.290   9.583
  191   2HB   ARG  20          1HB       ARG  20  -0.597   3.741   8.791
  192   1HG   ARG  20          2HG       ARG  20   1.735   4.601   8.227
  193   2HG   ARG  20          1HG       ARG  20   1.419   5.866   9.416
  194   1HD   ARG  20          2HD       ARG  20   1.035   2.966  10.083
  195   2HD   ARG  20          1HD       ARG  20   2.622   3.727  10.192
  196    HE   ARG  20           HE       ARG  20   0.993   5.386  11.608
  197   1HH1  ARG  20          1HH1      ARG  20   1.713   1.978  11.738
  198   2HH1  ARG  20          2HH1      ARG  20   1.449   1.859  13.445
  199   1HH2  ARG  20          1HH2      ARG  20   0.644   5.237  13.852
  200   2HH2  ARG  20          2HH2      ARG  20   0.840   3.712  14.648
  201    H    LYS  21           H        LYS  21   0.034   6.964   5.652
  202    HA   LYS  21           HA       LYS  21  -0.265   9.421   7.236
  203   1HB   LYS  21          2HB       LYS  21   2.052   9.037   6.844
  204   2HB   LYS  21          1HB       LYS  21   1.754   8.568   5.169
  205   1HG   LYS  21          2HG       LYS  21   0.830  11.045   5.036
  206   2HG   LYS  21          1HG       LYS  21   1.935  11.268   6.394
  207   1HD   LYS  21          2HD       LYS  21   3.802  10.806   5.127
  208   2HD   LYS  21          1HD       LYS  21   2.897   9.846   3.954
  209   1HE   LYS  21          2HE       LYS  21   2.457  12.802   4.238
  210   2HE   LYS  21          1HE       LYS  21   3.757  12.162   3.234
  211   1HZ   LYS  21          1HZ       LYS  21   1.481  12.654   2.173
  212   2HZ   LYS  21          2HZ       LYS  21   0.997  11.195   2.879
  213   3HZ   LYS  21          3HZ       LYS  21   2.272  11.213   1.766
  214    H    GLU  22           H        GLU  22  -0.528   7.890   4.076
  215    HA   GLU  22           HA       GLU  22  -1.647  10.202   2.800
  216   1HB   GLU  22          2HB       GLU  22  -2.136   8.444   0.962
  217   2HB   GLU  22          1HB       GLU  22  -0.465   8.858   1.317
  218   1HG   GLU  22          2HG       GLU  22   0.018   6.806   2.091
  219   2HG   GLU  22          1HG       GLU  22  -1.557   6.610   2.861
  220    H    PHE  23           H        PHE  23  -3.291   7.256   2.095
  221    HA   PHE  23           HA       PHE  23  -5.700   8.293   3.429
  222   1HB   PHE  23          2HB       PHE  23  -5.334   7.112   0.694
  223   2HB   PHE  23          1HB       PHE  23  -6.899   7.034   1.496
  224    HD1  PHE  23           1HD      PHE  23  -8.256   8.982   1.757
  225    HD2  PHE  23           2HD      PHE  23  -4.370   9.267   0.049
  226    HE1  PHE  23           1HE      PHE  23  -8.770  11.258   0.981
  227    HE2  PHE  23           2HE      PHE  23  -4.875  11.546  -0.729
  228    HZ   PHE  23           HZ       PHE  23  -7.077  12.545  -0.263
  229    H    ALA  24           H        ALA  24  -3.880   6.430   4.617
  230    HA   ALA  24           HA       ALA  24  -4.695   3.765   4.329
  231   1HB   ALA  24          1HB       ALA  24  -2.650   4.075   5.413
  232   2HB   ALA  24          2HB       ALA  24  -3.748   3.516   6.682
  233   3HB   ALA  24          3HB       ALA  24  -3.338   5.229   6.560
  234    H    LYS  25           H        LYS  25  -6.405   6.374   5.507
  235    HA   LYS  25           HA       LYS  25  -7.795   5.486   7.710
  236   1HB   LYS  25          2HB       LYS  25  -9.773   6.777   6.363
  237   2HB   LYS  25          1HB       LYS  25  -8.520   7.581   7.297
  238   1HG   LYS  25          2HG       LYS  25  -7.786   6.988   4.521
  239   2HG   LYS  25          1HG       LYS  25  -9.121   8.127   4.713
  240   1HD   LYS  25          2HD       LYS  25  -6.735   8.524   6.429
  241   2HD   LYS  25          1HD       LYS  25  -6.565   8.894   4.711
  242   1HE   LYS  25          2HE       LYS  25  -8.573  10.053   6.637
  243   2HE   LYS  25          1HE       LYS  25  -7.218  10.891   5.882
  244   1HZ   LYS  25          1HZ       LYS  25  -8.448  10.093   3.715
  245   2HZ   LYS  25          2HZ       LYS  25  -8.886  11.525   4.501
  246   3HZ   LYS  25          3HZ       LYS  25  -9.794  10.119   4.740
  247    H    PHE  26           H        PHE  26  -8.461   4.794   4.295
  248    HA   PHE  26           HA       PHE  26 -10.287   2.675   5.190
  249   1HB   PHE  26          2HB       PHE  26 -10.885   3.147   2.509
  250   2HB   PHE  26          1HB       PHE  26 -11.857   3.607   3.902
  251    HD1  PHE  26           1HD      PHE  26  -9.196   4.786   1.622
  252    HD2  PHE  26           2HD      PHE  26 -12.184   5.850   4.454
  253    HE1  PHE  26           1HE      PHE  26  -8.893   7.151   1.042
  254    HE2  PHE  26           2HE      PHE  26 -11.890   8.222   3.879
  255    HZ   PHE  26           HZ       PHE  26 -10.243   8.880   2.169
  256    H    GLU  27           H        GLU  27  -7.292   3.028   4.261
  257    HA   GLU  27           HA       GLU  27  -7.122   1.135   2.116
  258   1HB   GLU  27          2HB       GLU  27  -5.319   2.833   3.610
  259   2HB   GLU  27          1HB       GLU  27  -4.627   1.241   3.329
  260   1HG   GLU  27          2HG       GLU  27  -5.815   2.008   0.920
  261   2HG   GLU  27          1HG       GLU  27  -4.964   3.430   1.525
  262    H    GLU  28           H        GLU  28  -8.204   0.695   5.015
  263    HA   GLU  28           HA       GLU  28  -6.985  -1.957   5.356
  264   1HB   GLU  28          2HB       GLU  28  -8.039  -0.033   7.441
  265   2HB   GLU  28          1HB       GLU  28  -7.645  -1.715   7.781
  266   1HG   GLU  28          2HG       GLU  28  -5.455  -0.429   6.445
  267   2HG   GLU  28          1HG       GLU  28  -5.944   0.500   7.864
  268    H    GLU  29           H        GLU  29  -9.585  -0.222   4.403
  269    HA   GLU  29           HA       GLU  29 -11.483  -2.382   5.018
  270   1HB   GLU  29          2HB       GLU  29 -12.382   0.411   4.400
  271   2HB   GLU  29          1HB       GLU  29 -13.218  -0.851   5.295
  272   1HG   GLU  29          2HG       GLU  29 -11.125  -0.488   6.919
  273   2HG   GLU  29          1HG       GLU  29 -11.221   1.121   6.205
  274    H    ARG  30           H        ARG  30 -11.251   0.368   2.743
  275    HA   ARG  30           HA       ARG  30 -11.922  -1.503   0.566
  276   1HB   ARG  30          2HB       ARG  30 -13.760  -0.264   0.292
  277   2HB   ARG  30          1HB       ARG  30 -13.183   0.955   1.418
  278   1HG   ARG  30          2HG       ARG  30 -11.682   1.645  -0.644
  279   2HG   ARG  30          1HG       ARG  30 -12.986   0.857  -1.538
  280   1HD   ARG  30          2HD       ARG  30 -13.219   3.156   0.394
  281   2HD   ARG  30          1HD       ARG  30 -13.490   3.196  -1.348
  282    HE   ARG  30           HE       ARG  30 -15.275   1.352  -0.445
  283   1HH1  ARG  30          1HH1      ARG  30 -14.583   4.672   0.354
  284   2HH1  ARG  30          2HH1      ARG  30 -16.212   5.034   0.819
  285   1HH2  ARG  30          1HH2      ARG  30 -17.421   1.819   0.166
  286   2HH2  ARG  30          2HH2      ARG  30 -17.825   3.412   0.714
  287    H    ALA  31           H        ALA  31 -10.257   1.575   1.265
  288    HA   ALA  31           HA       ALA  31  -9.092   2.029  -1.194
  289   1HB   ALA  31          1HB       ALA  31  -7.201   3.093   0.191
  290   2HB   ALA  31          2HB       ALA  31  -8.220   2.703   1.577
  291   3HB   ALA  31          3HB       ALA  31  -8.831   3.763   0.304
  292    H    ARG  32           H        ARG  32  -8.605  -0.711   0.588
  293    HA   ARG  32           HA       ARG  32  -5.822  -1.036  -0.246
  294   1HB   ARG  32          2HB       ARG  32  -6.977  -1.747   2.050
  295   2HB   ARG  32          1HB       ARG  32  -7.252  -3.218   1.142
  296   1HG   ARG  32          2HG       ARG  32  -4.594  -1.898   1.647
  297   2HG   ARG  32          1HG       ARG  32  -5.198  -3.379   2.412
  298   1HD   ARG  32          2HD       ARG  32  -5.186  -3.269  -0.550
  299   2HD   ARG  32          1HD       ARG  32  -3.616  -3.421   0.262
  300    HE   ARG  32           HE       ARG  32  -5.451  -5.304   1.310
  301   1HH1  ARG  32          1HH1      ARG  32  -3.511  -4.667  -1.516
  302   2HH1  ARG  32          2HH1      ARG  32  -3.365  -6.338  -1.947
  303   1HH2  ARG  32          1HH2      ARG  32  -5.260  -7.504   0.747
  304   2HH2  ARG  32          2HH2      ARG  32  -4.359  -7.948  -0.663
  305    H    ALA  33           H        ALA  33  -8.973  -2.620  -0.552
  306    HA   ALA  33           HA       ALA  33  -8.178  -4.716  -2.188
  307   1HB   ALA  33          1HB       ALA  33 -10.308  -4.844  -1.336
  308   2HB   ALA  33          2HB       ALA  33 -10.574  -4.587  -3.063
  309   3HB   ALA  33          3HB       ALA  33 -10.770  -3.247  -1.927
  310    H    LYS  34           H        LYS  34  -8.091  -1.435  -2.775
  311    HA   LYS  34           HA       LYS  34  -8.528  -1.239  -5.552
  312   1HB   LYS  34          2HB       LYS  34  -6.388   0.305  -4.080
  313   2HB   LYS  34          1HB       LYS  34  -7.421   0.853  -5.401
  314   1HG   LYS  34          2HG       LYS  34  -8.361   0.224  -2.618
  315   2HG   LYS  34          1HG       LYS  34  -7.954   1.845  -3.206
  316   1HD   LYS  34          2HD       LYS  34  -9.648   1.480  -5.039
  317   2HD   LYS  34          1HD       LYS  34 -10.153   0.040  -4.160
  318   1HE   LYS  34          2HE       LYS  34 -11.628   1.540  -3.282
  319   2HE   LYS  34          1HE       LYS  34 -10.292   1.756  -2.152
  320   1HZ   LYS  34          1HZ       LYS  34  -9.609   3.530  -3.974
  321   2HZ   LYS  34          2HZ       LYS  34 -10.651   3.907  -2.696
  322   3HZ   LYS  34          3HZ       LYS  34 -11.282   3.554  -4.223
  323    H    TRP  35           H        TRP  35  -5.821  -2.026  -3.545
  324    HA   TRP  35           HA       TRP  35  -3.931  -2.467  -5.654
  325   1HB   TRP  35          2HB       TRP  35  -3.621  -3.539  -2.874
  326   2HB   TRP  35          1HB       TRP  35  -2.398  -2.828  -3.934
  327    HD1  TRP  35           HD       TRP  35  -3.277  -2.076  -0.826
  328    HE1  TRP  35           1HE      TRP  35  -3.691   0.384  -0.301
  329    HE3  TRP  35           3HE      TRP  35  -4.067  -0.335  -5.565
  330    HZ2  TRP  35           2HZ      TRP  35  -4.290   2.739  -1.661
  331    HZ3  TRP  35           3HZ      TRP  35  -4.587   2.051  -5.858
  332    HH2  TRP  35           HH       TRP  35  -4.682   3.567  -3.946
  333    H    ASP  36           H        ASP  36  -6.115  -4.346  -3.695
  334    HA   ASP  36           HA       ASP  36  -5.239  -6.917  -3.976
  335   1HB   ASP  36          2HB       ASP  36  -7.576  -5.663  -3.138
  336   2HB   ASP  36          1HB       ASP  36  -8.103  -6.773  -4.402
  Start of MODEL   19
    1   1H    MET   1          1HT       MET   1  15.539  -4.359   7.785
    2   2H    MET   1          2HT       MET   1  14.665  -5.176   8.982
    3   3H    MET   1          3HT       MET   1  15.896  -4.102   9.419
    4    HA   MET   1           HA       MET   1  14.681  -2.233   8.728
    5   1HB   MET   1          2HB       MET   1  12.208  -3.143   7.880
    6   2HB   MET   1          1HB       MET   1  13.479  -2.464   6.878
    7   1HG   MET   1          2HG       MET   1  12.768  -4.486   5.885
    8   2HG   MET   1          1HG       MET   1  14.373  -4.759   6.563
    9   1HE   MET   1          1HE       MET   1  11.136  -4.231   8.169
   10   2HE   MET   1          2HE       MET   1  11.292  -5.327   9.546
   11   3HE   MET   1          3HE       MET   1  10.356  -5.817   8.133
   12    H    TRP   2           H        TRP   2  11.746  -2.393   9.145
   13    HA   TRP   2           HA       TRP   2  11.764  -3.082  12.011
   14   1HB   TRP   2          2HB       TRP   2   9.786  -1.083  11.299
   15   2HB   TRP   2          1HB       TRP   2  11.065  -1.001  12.522
   16    HD1  TRP   2           HD       TRP   2  13.134   0.541  11.905
   17    HE1  TRP   2           1HE      TRP   2  13.745   1.922   9.809
   18    HE3  TRP   2           3HE      TRP   2   9.534  -1.170   8.792
   19    HZ2  TRP   2           2HZ      TRP   2  12.772   2.210   7.149
   20    HZ3  TRP   2           3HZ      TRP   2   9.417  -0.329   6.502
   21    HH2  TRP   2           HH       TRP   2  11.012   1.327   5.689
   22    H    LYS   3           H        LYS   3   9.200  -2.122   9.729
   23    HA   LYS   3           HA       LYS   3   7.774  -4.574  10.454
   24   1HB   LYS   3          2HB       LYS   3   5.665  -3.328  10.194
   25   2HB   LYS   3          1HB       LYS   3   6.676  -2.712  11.493
   26   1HG   LYS   3          2HG       LYS   3   6.609  -1.504   8.739
   27   2HG   LYS   3          1HG       LYS   3   5.553  -0.989  10.060
   28   1HD   LYS   3          2HD       LYS   3   7.524  -0.467  11.410
   29   2HD   LYS   3          1HD       LYS   3   8.547  -0.986  10.066
   30   1HE   LYS   3          2HE       LYS   3   8.137   0.879   8.846
   31   2HE   LYS   3          1HE       LYS   3   6.496   1.058   9.470
   32   1HZ   LYS   3          1HZ       LYS   3   7.478   2.786  10.527
   33   2HZ   LYS   3          2HZ       LYS   3   9.012   2.072  10.549
   34   3HZ   LYS   3          3HZ       LYS   3   7.838   1.587  11.665
   35    H    VAL   4           H        VAL   4   8.696  -2.465   7.894
   36    HA   VAL   4           HA       VAL   4   7.121  -2.920   5.780
   37    HB   VAL   4           HB       VAL   4   9.002  -1.643   5.357
   38   1HG1  VAL   4          1HG1      VAL   4  10.290  -2.936   7.187
   39   2HG1  VAL   4          2HG1      VAL   4  11.188  -2.160   5.883
   40   3HG1  VAL   4          3HG1      VAL   4  10.889  -3.899   5.839
   41   1HG2  VAL   4          1HG2      VAL   4   9.706  -4.216   3.977
   42   2HG2  VAL   4          2HG2      VAL   4  10.055  -2.574   3.435
   43   3HG2  VAL   4          3HG2      VAL   4   8.390  -3.159   3.462
   44    H    GLY   5           H        GLY   5   9.478  -5.257   6.998
   45   1HA   GLY   5          2HA       GLY   5   9.593  -7.210   5.206
   46   2HA   GLY   5          1HA       GLY   5   9.314  -7.588   6.901
   47    H    PHE   6           H        PHE   6   6.789  -6.629   7.261
   48    HA   PHE   6           HA       PHE   6   5.219  -8.193   5.393
   49   1HB   PHE   6          2HB       PHE   6   4.165  -7.771   8.041
   50   2HB   PHE   6          1HB       PHE   6   4.056  -9.199   7.041
   51    HD1  PHE   6           1HD      PHE   6   5.363  -7.920   9.994
   52    HD2  PHE   6           2HD      PHE   6   6.417 -10.408   6.705
   53    HE1  PHE   6           1HE      PHE   6   7.095  -8.999  11.369
   54    HE2  PHE   6           2HE      PHE   6   8.150 -11.491   8.074
   55    HZ   PHE   6           HZ       PHE   6   8.491 -10.786  10.410
   56    H    PHE   7           H        PHE   7   5.890  -5.167   6.511
   57    HA   PHE   7           HA       PHE   7   3.208  -4.156   6.518
   58   1HB   PHE   7          2HB       PHE   7   5.800  -3.213   7.271
   59   2HB   PHE   7          1HB       PHE   7   4.987  -2.011   6.271
   60    HD1  PHE   7           1HD      PHE   7   3.756  -4.414   8.827
   61    HD2  PHE   7           2HD      PHE   7   4.152  -0.366   7.605
   62    HE1  PHE   7           1HE      PHE   7   2.406  -3.704  10.765
   63    HE2  PHE   7           2HE      PHE   7   2.805   0.359   9.532
   64    HZ   PHE   7           HZ       PHE   7   1.927  -1.313  11.115
   65    H    LYS   8           H        LYS   8   5.941  -3.969   4.348
   66    HA   LYS   8           HA       LYS   8   5.035  -2.225   2.434
   67   1HB   LYS   8          2HB       LYS   8   6.512  -3.389   0.919
   68   2HB   LYS   8          1HB       LYS   8   7.243  -3.419   2.526
   69   1HG   LYS   8          2HG       LYS   8   5.808  -5.671   2.639
   70   2HG   LYS   8          1HG       LYS   8   6.157  -5.624   0.907
   71   1HD   LYS   8          2HD       LYS   8   8.249  -5.302   3.033
   72   2HD   LYS   8          1HD       LYS   8   7.817  -6.867   2.330
   73   1HE   LYS   8          2HE       LYS   8   8.118  -5.326   0.111
   74   2HE   LYS   8          1HE       LYS   8   9.368  -4.666   1.176
   75   1HZ   LYS   8          1HZ       LYS   8  10.076  -7.052   1.519
   76   2HZ   LYS   8          2HZ       LYS   8  10.384  -6.401  -0.012
   77   3HZ   LYS   8          3HZ       LYS   8   9.078  -7.452   0.211
   78    H    ARG   9           H        ARG   9   4.095  -5.490   3.141
   79    HA   ARG   9           HA       ARG   9   2.467  -5.643   0.730
   80   1HB   ARG   9          2HB       ARG   9   2.287  -8.087   1.432
   81   2HB   ARG   9          1HB       ARG   9   3.856  -7.512   0.889
   82   1HG   ARG   9          2HG       ARG   9   3.714  -7.133   3.698
   83   2HG   ARG   9          1HG       ARG   9   3.197  -8.781   3.329
   84   1HD   ARG   9          2HD       ARG   9   5.690  -7.580   2.152
   85   2HD   ARG   9          1HD       ARG   9   5.689  -8.384   3.719
   86    HE   ARG   9           HE       ARG   9   5.089 -10.426   2.618
   87   1HH1  ARG   9          1HH1      ARG   9   5.978  -7.814   0.488
   88   2HH1  ARG   9          2HH1      ARG   9   6.354  -8.858  -0.842
   89   1HH2  ARG   9          1HH2      ARG   9   5.588 -11.804   0.875
   90   2HH2  ARG   9          2HH2      ARG   9   6.134 -11.125  -0.622
   91    H    ASN  10           H        ASN  10   2.253  -6.313   4.219
   92    HA   ASN  10           HA       ASN  10  -0.557  -6.681   4.202
   93   1HB   ASN  10          2HB       ASN  10   1.406  -7.334   5.919
   94   2HB   ASN  10          1HB       ASN  10   0.625  -6.004   6.761
   95   1HD2  ASN  10          1HD2      ASN  10   0.593  -9.273   6.224
   96   2HD2  ASN  10          2HD2      ASN  10  -1.004  -9.628   6.780
   97    H    ARG  11           H        ARG  11   1.306  -4.278   5.975
   98    HA   ARG  11           HA       ARG  11  -0.975  -2.482   5.956
   99   1HB   ARG  11          2HB       ARG  11   1.460  -2.853   7.538
  100   2HB   ARG  11          1HB       ARG  11   0.945  -1.183   7.334
  101   1HG   ARG  11          2HG       ARG  11  -0.016  -1.979   9.351
  102   2HG   ARG  11          1HG       ARG  11  -1.315  -1.877   8.162
  103   1HD   ARG  11          2HD       ARG  11  -1.357  -3.955   9.534
  104   2HD   ARG  11          1HD       ARG  11  -1.258  -4.243   7.798
  105    HE   ARG  11           HE       ARG  11   1.267  -4.440   8.331
  106   1HH1  ARG  11          1HH1      ARG  11  -1.355  -5.514  10.363
  107   2HH1  ARG  11          2HH1      ARG  11  -0.428  -6.771  11.111
  108   1HH2  ARG  11          1HH2      ARG  11   2.492  -6.091   9.312
  109   2HH2  ARG  11          2HH2      ARG  11   1.758  -7.099  10.515
  110   1H    LYS  12          1HT       LYS  12   9.143   1.090  -0.471
  111   2H    LYS  12          2HT       LYS  12  10.329   0.141   0.270
  112   3H    LYS  12          3HT       LYS  12  10.186   1.778   0.671
  113    HA   LYS  12           HA       LYS  12   7.915  -0.044   1.083
  114   1HB   LYS  12          2HB       LYS  12   8.748  -0.869   3.091
  115   2HB   LYS  12          1HB       LYS  12  10.204  -0.828   2.104
  116   1HG   LYS  12          2HG       LYS  12   9.385   1.288   4.087
  117   2HG   LYS  12          1HG       LYS  12  10.562   0.005   4.382
  118   1HD   LYS  12          2HD       LYS  12  10.808   2.076   2.201
  119   2HD   LYS  12          1HD       LYS  12  11.596   2.187   3.776
  120   1HE   LYS  12          2HE       LYS  12  12.028   0.081   1.664
  121   2HE   LYS  12          1HE       LYS  12  13.167   1.327   2.170
  122   1HZ   LYS  12          1HZ       LYS  12  13.812  -0.667   3.224
  123   2HZ   LYS  12          2HZ       LYS  12  12.237  -1.015   3.730
  124   3HZ   LYS  12          3HZ       LYS  12  13.083   0.273   4.427
  125    H    LEU  13           H        LEU  13   9.661   2.925   1.575
  126    HA   LEU  13           HA       LEU  13   7.828   3.975   3.509
  127   1HB   LEU  13          2HB       LEU  13  10.357   4.674   2.621
  128   2HB   LEU  13          1HB       LEU  13   9.338   5.972   2.026
  129    HG   LEU  13           HG       LEU  13   8.525   5.616   4.667
  130   1HD1  LEU  13          1HD1      LEU  13  10.450   4.249   5.154
  131   2HD1  LEU  13          2HD1      LEU  13  10.635   5.823   5.928
  132   3HD1  LEU  13          3HD1      LEU  13  11.527   5.458   4.451
  133   1HD2  LEU  13          1HD2      LEU  13   8.557   7.795   4.137
  134   2HD2  LEU  13          2HD2      LEU  13   9.934   7.618   3.048
  135   3HD2  LEU  13          3HD2      LEU  13  10.197   7.749   4.787
  136    H    LEU  14           H        LEU  14   6.614   2.959   1.159
  137    HA   LEU  14           HA       LEU  14   5.147   5.339   0.303
  138   1HB   LEU  14          2HB       LEU  14   6.157   5.112  -1.706
  139   2HB   LEU  14          1HB       LEU  14   6.673   3.472  -1.372
  140    HG   LEU  14           HG       LEU  14   4.294   2.748  -1.876
  141   1HD1  LEU  14          1HD1      LEU  14   3.783   5.451  -1.830
  142   2HD1  LEU  14          2HD1      LEU  14   2.721   4.210  -2.497
  143   3HD1  LEU  14          3HD1      LEU  14   3.828   5.085  -3.555
  144   1HD2  LEU  14          1HD2      LEU  14   6.377   3.662  -3.722
  145   2HD2  LEU  14          2HD2      LEU  14   4.780   3.486  -4.448
  146   3HD2  LEU  14          3HD2      LEU  14   5.534   2.115  -3.634
  147    H    ILE  15           H        ILE  15   5.320   1.898   0.859
  148    HA   ILE  15           HA       ILE  15   2.380   1.802   1.004
  149    HB   ILE  15           HB       ILE  15   2.958   0.431  -0.831
  150   1HG1  ILE  15          2HG1      ILE  15   2.173  -1.719  -0.195
  151   2HG1  ILE  15          1HG1      ILE  15   2.830  -1.561   1.429
  152   1HG2  ILE  15          1HG2      ILE  15   4.803  -1.398   0.516
  153   2HG2  ILE  15          2HG2      ILE  15   5.426   0.240   0.305
  154   3HG2  ILE  15          3HG2      ILE  15   4.884  -0.684  -1.095
  155   1HD1  ILE  15          1HD1      ILE  15   0.675  -1.170   1.906
  156   2HD1  ILE  15          2HD1      ILE  15   0.307  -0.553   0.294
  157   3HD1  ILE  15          3HD1      ILE  15   1.125   0.481   1.470
  158    H    THR  16           H        THR  16   5.371   0.333   2.253
  159    HA   THR  16           HA       THR  16   4.393  -1.159   4.333
  160    HB   THR  16           HB       THR  16   6.924   0.385   3.935
  161    HG1  THR  16           1HG      THR  16   7.389  -1.480   3.165
  162   1HG2  THR  16          1HG2      THR  16   6.075  -0.812   6.526
  163   2HG2  THR  16          2HG2      THR  16   6.968   0.675   6.212
  164   3HG2  THR  16          3HG2      THR  16   7.763  -0.887   6.026
  165    H    ILE  17           H        ILE  17   5.902   1.916   4.981
  166    HA   ILE  17           HA       ILE  17   4.302   2.341   7.361
  167    HB   ILE  17           HB       ILE  17   6.657   2.637   7.560
  168   1HG1  ILE  17          2HG1      ILE  17   6.821   5.174   7.998
  169   2HG1  ILE  17          1HG1      ILE  17   5.135   5.243   7.492
  170   1HG2  ILE  17          1HG2      ILE  17   7.254   2.873   5.267
  171   2HG2  ILE  17          2HG2      ILE  17   7.844   4.318   6.111
  172   3HG2  ILE  17          3HG2      ILE  17   6.367   4.406   5.130
  173   1HD1  ILE  17          1HD1      ILE  17   5.984   3.339   9.631
  174   2HD1  ILE  17          2HD1      ILE  17   4.401   4.066   9.329
  175   3HD1  ILE  17          3HD1      ILE  17   5.706   5.044   9.999
  176    H    HIS  18           H        HIS  18   5.017   3.961   4.317
  177    HA   HIS  18           HA       HIS  18   3.737   6.364   4.774
  178   1HB   HIS  18          2HB       HIS  18   5.214   6.198   2.941
  179   2HB   HIS  18          1HB       HIS  18   4.350   4.813   2.272
  180    HD1  HIS  18           1HD      HIS  18   1.752   5.499   1.644
  181    HD2  HIS  18           2HD      HIS  18   4.634   8.472   1.576
  182    HE1  HIS  18           1HE      HIS  18   0.801   7.314   0.168
  183    HE2  HIS  18           2HE      HIS  18   2.610   9.070   0.076
  184    H    ASP  19           H        ASP  19   2.342   3.271   3.917
  185    HA   ASP  19           HA       ASP  19  -0.106   4.196   2.884
  186   1HB   ASP  19          2HB       ASP  19   0.720   1.850   2.761
  187   2HB   ASP  19          1HB       ASP  19   0.340   1.661   4.466
  188    H    ARG  20           H        ARG  20   0.541   2.935   6.162
  189    HA   ARG  20           HA       ARG  20  -1.892   3.845   7.263
  190   1HB   ARG  20          2HB       ARG  20  -0.290   3.765   9.438
  191   2HB   ARG  20          1HB       ARG  20  -1.024   2.337   8.722
  192   1HG   ARG  20          2HG       ARG  20   0.959   1.480   8.223
  193   2HG   ARG  20          1HG       ARG  20   1.480   2.974   7.441
  194   1HD   ARG  20          2HD       ARG  20   2.971   2.505   9.265
  195   2HD   ARG  20          1HD       ARG  20   1.985   3.903   9.691
  196    HE   ARG  20           HE       ARG  20   1.708   1.197  10.798
  197   1HH1  ARG  20          1HH1      ARG  20   0.951   4.597  10.869
  198   2HH1  ARG  20          2HH1      ARG  20   0.209   4.531  12.432
  199   1HH2  ARG  20          1HH2      ARG  20   0.731   1.098  12.854
  200   2HH2  ARG  20          2HH2      ARG  20   0.082   2.540  13.561
  201    H    LYS  21           H        LYS  21   0.741   5.512   6.169
  202    HA   LYS  21           HA       LYS  21   0.701   7.705   8.045
  203   1HB   LYS  21          2HB       LYS  21   2.808   7.185   7.088
  204   2HB   LYS  21          1HB       LYS  21   2.134   7.147   5.460
  205   1HG   LYS  21          2HG       LYS  21   1.583   9.664   6.011
  206   2HG   LYS  21          1HG       LYS  21   2.923   9.465   7.141
  207   1HD   LYS  21          2HD       LYS  21   4.354   8.699   5.312
  208   2HD   LYS  21          1HD       LYS  21   3.013   8.889   4.180
  209   1HE   LYS  21          2HE       LYS  21   3.929  10.916   3.830
  210   2HE   LYS  21          1HE       LYS  21   3.060  11.344   5.303
  211   1HZ   LYS  21          1HZ       LYS  21   5.266  12.088   5.571
  212   2HZ   LYS  21          2HZ       LYS  21   5.921  10.625   5.034
  213   3HZ   LYS  21          3HZ       LYS  21   5.133  10.698   6.528
  214    H    GLU  22           H        GLU  22  -0.350   7.091   4.720
  215    HA   GLU  22           HA       GLU  22  -1.389   9.759   4.414
  216   1HB   GLU  22          2HB       GLU  22  -2.335   8.691   2.246
  217   2HB   GLU  22          1HB       GLU  22  -0.599   8.929   2.400
  218   1HG   GLU  22          2HG       GLU  22  -0.180   6.748   2.273
  219   2HG   GLU  22          1HG       GLU  22  -1.479   6.346   3.402
  220    H    PHE  23           H        PHE  23  -3.450   7.421   3.046
  221    HA   PHE  23           HA       PHE  23  -5.464   7.953   5.128
  222   1HB   PHE  23          2HB       PHE  23  -5.697   7.975   2.135
  223   2HB   PHE  23          1HB       PHE  23  -7.111   7.694   3.146
  224    HD1  PHE  23           1HD      PHE  23  -5.218  10.128   1.511
  225    HD2  PHE  23           2HD      PHE  23  -7.412   9.460   5.097
  226    HE1  PHE  23           1HE      PHE  23  -5.483  12.557   1.798
  227    HE2  PHE  23           2HE      PHE  23  -7.682  11.887   5.390
  228    HZ   PHE  23           HZ       PHE  23  -6.717  13.440   3.738
  229    H    ALA  24           H        ALA  24  -3.832   5.668   5.241
  230    HA   ALA  24           HA       ALA  24  -4.968   3.396   4.032
  231   1HB   ALA  24          1HB       ALA  24  -3.003   2.710   4.848
  232   2HB   ALA  24          2HB       ALA  24  -3.896   2.410   6.338
  233   3HB   ALA  24          3HB       ALA  24  -3.004   3.918   6.132
  234    H    LYS  25           H        LYS  25  -6.180   5.415   6.434
  235    HA   LYS  25           HA       LYS  25  -7.489   3.765   8.212
  236   1HB   LYS  25          2HB       LYS  25  -9.351   5.746   7.800
  237   2HB   LYS  25          1HB       LYS  25  -7.985   5.842   8.901
  238   1HG   LYS  25          2HG       LYS  25  -7.327   6.568   6.150
  239   2HG   LYS  25          1HG       LYS  25  -8.537   7.610   6.900
  240   1HD   LYS  25          2HD       LYS  25  -6.189   6.941   8.559
  241   2HD   LYS  25          1HD       LYS  25  -5.883   7.977   7.164
  242   1HE   LYS  25          2HE       LYS  25  -7.928   8.476   9.326
  243   2HE   LYS  25          1HE       LYS  25  -6.371   9.289   9.171
  244   1HZ   LYS  25          1HZ       LYS  25  -8.505   9.378   7.110
  245   2HZ   LYS  25          2HZ       LYS  25  -7.070  10.274   7.127
  246   3HZ   LYS  25          3HZ       LYS  25  -8.269  10.574   8.283
  247    H    PHE  26           H        PHE  26  -8.505   4.734   4.964
  248    HA   PHE  26           HA       PHE  26 -10.572   2.650   5.092
  249   1HB   PHE  26          2HB       PHE  26 -11.310   4.381   3.029
  250   2HB   PHE  26          1HB       PHE  26 -12.086   4.220   4.600
  251    HD1  PHE  26           1HD      PHE  26  -9.573   6.113   2.688
  252    HD2  PHE  26           2HD      PHE  26 -11.920   5.918   6.228
  253    HE1  PHE  26           1HE      PHE  26  -8.955   8.428   3.216
  254    HE2  PHE  26           2HE      PHE  26 -11.307   8.236   6.766
  255    HZ   PHE  26           HZ       PHE  26  -9.823   9.500   5.258
  256    H    GLU  27           H        GLU  27  -7.650   3.223   3.910
  257    HA   GLU  27           HA       GLU  27  -8.008   2.477   1.175
  258   1HB   GLU  27          2HB       GLU  27  -5.781   3.148   2.932
  259   2HB   GLU  27          1HB       GLU  27  -5.390   1.883   1.771
  260   1HG   GLU  27          2HG       GLU  27  -6.789   3.776   0.305
  261   2HG   GLU  27          1HG       GLU  27  -5.739   4.708   1.374
  262    H    GLU  28           H        GLU  28  -8.760   0.810   3.716
  263    HA   GLU  28           HA       GLU  28  -7.848  -1.760   2.614
  264   1HB   GLU  28          2HB       GLU  28  -8.368  -0.966   5.484
  265   2HB   GLU  28          1HB       GLU  28  -8.199  -2.639   4.965
  266   1HG   GLU  28          2HG       GLU  28  -6.035  -0.821   4.145
  267   2HG   GLU  28          1HG       GLU  28  -6.174  -1.125   5.878
  268    H    GLU  29           H        GLU  29 -10.310   0.337   2.933
  269    HA   GLU  29           HA       GLU  29 -12.367  -1.765   2.878
  270   1HB   GLU  29          2HB       GLU  29 -12.538   1.060   3.941
  271   2HB   GLU  29          1HB       GLU  29 -13.936   0.018   3.703
  272   1HG   GLU  29          2HG       GLU  29 -11.999  -1.407   5.220
  273   2HG   GLU  29          1HG       GLU  29 -12.221   0.186   5.942
  274    H    ARG  30           H        ARG  30 -12.197   1.697   1.998
  275    HA   ARG  30           HA       ARG  30 -13.233   0.966  -0.660
  276   1HB   ARG  30          2HB       ARG  30 -14.951   2.348  -0.384
  277   2HB   ARG  30          1HB       ARG  30 -14.452   2.554   1.287
  278   1HG   ARG  30          2HG       ARG  30 -14.403   4.718   0.737
  279   2HG   ARG  30          1HG       ARG  30 -12.817   4.327   0.072
  280   1HD   ARG  30          2HD       ARG  30 -13.787   5.408  -1.710
  281   2HD   ARG  30          1HD       ARG  30 -14.199   3.732  -2.069
  282    HE   ARG  30           HE       ARG  30 -16.070   5.621  -0.791
  283   1HH1  ARG  30          1HH1      ARG  30 -15.361   3.040  -3.022
  284   2HH1  ARG  30          2HH1      ARG  30 -17.000   2.881  -3.560
  285   1HH2  ARG  30          1HH2      ARG  30 -18.231   5.419  -1.494
  286   2HH2  ARG  30          2HH2      ARG  30 -18.631   4.232  -2.692
  287    H    ALA  31           H        ALA  31 -11.153   3.205   1.124
  288    HA   ALA  31           HA       ALA  31 -10.301   4.755  -1.047
  289   1HB   ALA  31          1HB       ALA  31  -8.270   5.208   0.364
  290   2HB   ALA  31          2HB       ALA  31  -8.970   4.117   1.558
  291   3HB   ALA  31          3HB       ALA  31  -9.832   5.587   1.099
  292    H    ARG  32           H        ARG  32 -10.041   1.593  -1.084
  293    HA   ARG  32           HA       ARG  32  -7.321   1.590  -2.200
  294   1HB   ARG  32          2HB       ARG  32  -8.222  -0.042  -0.290
  295   2HB   ARG  32          1HB       ARG  32  -8.713  -0.969  -1.690
  296   1HG   ARG  32          2HG       ARG  32  -5.927  -0.023  -1.049
  297   2HG   ARG  32          1HG       ARG  32  -6.532  -1.685  -0.936
  298   1HD   ARG  32          2HD       ARG  32  -6.879  -0.271  -3.515
  299   2HD   ARG  32          1HD       ARG  32  -5.235  -0.774  -3.084
  300    HE   ARG  32           HE       ARG  32  -7.503  -2.661  -3.218
  301   1HH1  ARG  32          1HH1      ARG  32  -4.189  -1.801  -3.872
  302   2HH1  ARG  32          2HH1      ARG  32  -3.795  -3.334  -4.574
  303   1HH2  ARG  32          1HH2      ARG  32  -6.992  -4.683  -4.139
  304   2HH2  ARG  32          2HH2      ARG  32  -5.387  -4.974  -4.724
  305    H    ALA  33           H        ALA  33 -10.614   0.398  -2.669
  306    HA   ALA  33           HA       ALA  33 -10.190  -0.714  -5.207
  307   1HB   ALA  33          1HB       ALA  33 -12.164  -1.282  -4.132
  308   2HB   ALA  33          2HB       ALA  33 -12.675  -0.296  -5.504
  309   3HB   ALA  33          3HB       ALA  33 -12.638   0.398  -3.879
  310    H    LYS  34           H        LYS  34  -9.988   2.415  -4.123
  311    HA   LYS  34           HA       LYS  34 -10.841   3.958  -6.324
  312   1HB   LYS  34          2HB       LYS  34  -8.407   4.650  -4.679
  313   2HB   LYS  34          1HB       LYS  34  -9.656   5.727  -5.311
  314   1HG   LYS  34          2HG       LYS  34  -9.997   3.750  -3.067
  315   2HG   LYS  34          1HG       LYS  34  -9.740   5.489  -2.880
  316   1HD   LYS  34          2HD       LYS  34 -11.964   4.677  -4.636
  317   2HD   LYS  34          1HD       LYS  34 -12.172   4.344  -2.919
  318   1HE   LYS  34          2HE       LYS  34 -12.629   6.481  -2.518
  319   2HE   LYS  34          1HE       LYS  34 -11.102   6.974  -3.249
  320   1HZ   LYS  34          1HZ       LYS  34 -12.376   6.637  -5.448
  321   2HZ   LYS  34          2HZ       LYS  34 -12.659   8.041  -4.546
  322   3HZ   LYS  34          3HZ       LYS  34 -13.764   6.761  -4.488
  323    H    TRP  35           H        TRP  35  -7.957   2.266  -5.456
  324    HA   TRP  35           HA       TRP  35  -6.430   2.981  -7.784
  325   1HB   TRP  35          2HB       TRP  35  -5.780   0.667  -5.989
  326   2HB   TRP  35          1HB       TRP  35  -4.683   1.815  -6.769
  327    HD1  TRP  35           HD       TRP  35  -5.091   0.932  -3.560
  328    HE1  TRP  35           1HE      TRP  35  -5.181   2.835  -1.862
  329    HE3  TRP  35           3HE      TRP  35  -6.233   4.795  -6.706
  330    HZ2  TRP  35           2HZ      TRP  35  -5.674   5.574  -1.825
  331    HZ3  TRP  35           3HZ      TRP  35  -6.507   7.044  -5.742
  332    HH2  TRP  35           HH       TRP  35  -6.228   7.430  -3.345
  333    H    ASP  36           H        ASP  36  -8.451   0.366  -6.682
  334    HA   ASP  36           HA       ASP  36  -7.814  -1.704  -8.360
  335   1HB   ASP  36          2HB       ASP  36  -9.902  -1.080  -6.614
  336   2HB   ASP  36          1HB       ASP  36 -10.687  -1.442  -8.150
  Start of MODEL   20
    1   1H    MET   1          1HT       MET   1  14.715  -4.978  10.624
    2   2H    MET   1          2HT       MET   1  14.662  -5.149   8.943
    3   3H    MET   1          3HT       MET   1  13.517  -5.933   9.907
    4    HA   MET   1           HA       MET   1  13.803  -2.994   9.748
    5   1HB   MET   1          2HB       MET   1  11.420  -3.685   8.537
    6   2HB   MET   1          1HB       MET   1  12.885  -3.147   7.733
    7   1HG   MET   1          2HG       MET   1  12.114  -5.110   6.655
    8   2HG   MET   1          1HG       MET   1  13.586  -5.514   7.539
    9   1HE   MET   1          1HE       MET   1  10.210  -4.688   8.665
   10   2HE   MET   1          2HE       MET   1  10.095  -5.746  10.076
   11   3HE   MET   1          3HE       MET   1   9.317  -6.209   8.562
   12    H    TRP   2           H        TRP   2  10.840  -2.907   9.741
   13    HA   TRP   2           HA       TRP   2  10.394  -3.582  12.577
   14   1HB   TRP   2          2HB       TRP   2   8.710  -1.437  11.586
   15   2HB   TRP   2          1HB       TRP   2   9.791  -1.448  12.990
   16    HD1  TRP   2           HD       TRP   2  12.067  -0.106  12.689
   17    HE1  TRP   2           1HE      TRP   2  13.095   1.207  10.715
   18    HE3  TRP   2           3HE      TRP   2   8.809  -1.490   9.079
   19    HZ2  TRP   2           2HZ      TRP   2  12.544   1.574   7.943
   20    HZ3  TRP   2           3HZ      TRP   2   9.092  -0.657   6.806
   21    HH2  TRP   2           HH       TRP   2  10.931   0.844   6.239
   22    H    LYS   3           H        LYS   3   8.259  -2.414   9.985
   23    HA   LYS   3           HA       LYS   3   6.499  -4.709  10.496
   24   1HB   LYS   3          2HB       LYS   3   4.611  -3.237   9.983
   25   2HB   LYS   3          1HB       LYS   3   5.537  -2.656  11.357
   26   1HG   LYS   3          2HG       LYS   3   5.995  -1.611   8.578
   27   2HG   LYS   3          1HG       LYS   3   4.751  -0.944   9.640
   28   1HD   LYS   3          2HD       LYS   3   6.500  -0.512  11.335
   29   2HD   LYS   3          1HD       LYS   3   7.696  -1.098  10.176
   30   1HE   LYS   3          2HE       LYS   3   7.524   0.737   8.843
   31   2HE   LYS   3          1HE       LYS   3   5.853   1.060   9.307
   32   1HZ   LYS   3          1HZ       LYS   3   8.318   1.665  10.838
   33   2HZ   LYS   3          2HZ       LYS   3   6.779   1.706  11.539
   34   3HZ   LYS   3          3HZ       LYS   3   7.154   2.753  10.265
   35    H    VAL   4           H        VAL   4   7.993  -2.731   8.111
   36    HA   VAL   4           HA       VAL   4   6.699  -3.018   5.796
   37    HB   VAL   4           HB       VAL   4   8.735  -1.932   5.665
   38   1HG1  VAL   4          1HG1      VAL   4  10.283  -4.383   6.380
   39   2HG1  VAL   4          2HG1      VAL   4   9.637  -3.321   7.629
   40   3HG1  VAL   4          3HG1      VAL   4  10.781  -2.691   6.444
   41   1HG2  VAL   4          1HG2      VAL   4   9.946  -2.956   3.885
   42   2HG2  VAL   4          2HG2      VAL   4   8.241  -3.363   3.672
   43   3HG2  VAL   4          3HG2      VAL   4   9.359  -4.555   4.341
   44    H    GLY   5           H        GLY   5   8.579  -5.622   7.297
   45   1HA   GLY   5          2HA       GLY   5   8.791  -7.534   5.484
   46   2HA   GLY   5          1HA       GLY   5   8.156  -7.922   7.077
   47    H    PHE   6           H        PHE   6   5.735  -6.664   6.986
   48    HA   PHE   6           HA       PHE   6   4.384  -8.003   4.788
   49   1HB   PHE   6          2HB       PHE   6   3.016  -7.513   7.322
   50   2HB   PHE   6          1HB       PHE   6   2.685  -8.747   6.135
   51    HD1  PHE   6           1HD      PHE   6   3.864 -10.837   6.153
   52    HD2  PHE   6           2HD      PHE   6   4.759  -7.813   9.010
   53    HE1  PHE   6           1HE      PHE   6   5.105 -12.481   7.496
   54    HE2  PHE   6           2HE      PHE   6   6.004  -9.452  10.359
   55    HZ   PHE   6           HZ       PHE   6   6.178 -11.789   9.603
   56    H    PHE   7           H        PHE   7   5.101  -5.084   6.284
   57    HA   PHE   7           HA       PHE   7   2.609  -3.809   5.686
   58   1HB   PHE   7          2HB       PHE   7   5.172  -3.041   6.914
   59   2HB   PHE   7          1HB       PHE   7   4.247  -1.738   6.158
   60    HD1  PHE   7           1HD      PHE   7   3.360  -4.760   8.131
   61    HD2  PHE   7           2HD      PHE   7   3.068  -0.540   7.724
   62    HE1  PHE   7           1HE      PHE   7   1.867  -4.682  10.087
   63    HE2  PHE   7           2HE      PHE   7   1.586  -0.446   9.686
   64    HZ   PHE   7           HZ       PHE   7   0.979  -2.520  10.866
   65    H    LYS   8           H        LYS   8   5.494  -4.405   4.008
   66    HA   LYS   8           HA       LYS   8   5.389  -2.283   2.137
   67   1HB   LYS   8          2HB       LYS   8   6.929  -3.671   0.842
   68   2HB   LYS   8          1HB       LYS   8   7.370  -3.723   2.548
   69   1HG   LYS   8          2HG       LYS   8   5.682  -5.807   2.425
   70   2HG   LYS   8          1HG       LYS   8   6.368  -5.852   0.799
   71   1HD   LYS   8          2HD       LYS   8   8.056  -5.643   3.261
   72   2HD   LYS   8          1HD       LYS   8   7.558  -7.200   2.587
   73   1HE   LYS   8          2HE       LYS   8   9.281  -7.086   1.188
   74   2HE   LYS   8          1HE       LYS   8   8.458  -5.726   0.411
   75   1HZ   LYS   8          1HZ       LYS   8  10.324  -5.464   2.713
   76   2HZ   LYS   8          2HZ       LYS   8   9.639  -4.205   1.813
   77   3HZ   LYS   8          3HZ       LYS   8  10.770  -5.237   1.096
   78    H    ARG   9           H        ARG   9   3.968  -5.469   2.421
   79    HA   ARG   9           HA       ARG   9   2.640  -5.184  -0.165
   80   1HB   ARG   9          2HB       ARG   9   2.203  -7.677   1.321
   81   2HB   ARG   9          1HB       ARG   9   2.634  -7.439  -0.365
   82   1HG   ARG   9          2HG       ARG   9   4.563  -8.383   0.269
   83   2HG   ARG   9          1HG       ARG   9   4.952  -6.760   0.839
   84   1HD   ARG   9          2HD       ARG   9   5.437  -8.043   2.695
   85   2HD   ARG   9          1HD       ARG   9   3.783  -7.530   3.026
   86    HE   ARG   9           HE       ARG   9   4.668 -10.213   2.294
   87   1HH1  ARG   9          1HH1      ARG   9   2.049  -8.031   3.005
   88   2HH1  ARG   9          2HH1      ARG   9   0.898  -9.294   3.281
   89   1HH2  ARG   9          1HH2      ARG   9   3.162 -11.886   2.660
   90   2HH2  ARG   9          2HH2      ARG   9   1.530 -11.487   3.085
   91    H    ASN  10           H        ASN  10   1.824  -6.561   3.010
   92    HA   ASN  10           HA       ASN  10  -0.935  -6.297   2.783
   93   1HB   ASN  10          2HB       ASN  10   0.828  -7.344   4.622
   94   2HB   ASN  10          1HB       ASN  10  -0.112  -6.160   5.515
   95   1HD2  ASN  10          1HD2      ASN  10  -0.521  -8.514   6.429
   96   2HD2  ASN  10          2HD2      ASN  10  -1.985  -9.233   5.860
   97    H    ARG  11           H        ARG  11   0.598  -4.688   5.451
   98    HA   ARG  11           HA       ARG  11  -1.181  -2.449   5.212
   99   1HB   ARG  11          2HB       ARG  11   0.448  -3.650   7.230
  100   2HB   ARG  11          1HB       ARG  11   0.710  -1.914   7.168
  101   1HG   ARG  11          2HG       ARG  11  -2.048  -3.072   7.275
  102   2HG   ARG  11          1HG       ARG  11  -1.102  -2.783   8.737
  103   1HD   ARG  11          2HD       ARG  11  -2.448  -0.882   6.945
  104   2HD   ARG  11          1HD       ARG  11  -2.078  -0.754   8.664
  105    HE   ARG  11           HE       ARG  11  -0.115  -0.240   6.521
  106   1HH1  ARG  11          1HH1      ARG  11  -1.479   0.439   9.656
  107   2HH1  ARG  11          2HH1      ARG  11  -0.369   1.722  10.004
  108   1HH2  ARG  11          1HH2      ARG  11   1.351   1.446   6.973
  109   2HH2  ARG  11          2HH2      ARG  11   1.240   2.293   8.480
  110   1H    LYS  12          1HT       LYS  12  10.646   1.508   1.025
  111   2H    LYS  12          2HT       LYS  12   9.671   0.805  -0.166
  112   3H    LYS  12          3HT       LYS  12  10.769  -0.147   0.699
  113    HA   LYS  12           HA       LYS  12   8.253  -0.150   1.304
  114   1HB   LYS  12          2HB       LYS  12   8.895  -1.140   3.296
  115   2HB   LYS  12          1HB       LYS  12  10.426  -1.145   2.431
  116   1HG   LYS  12          2HG       LYS  12   9.594   0.961   4.419
  117   2HG   LYS  12          1HG       LYS  12  10.608  -0.436   4.791
  118   1HD   LYS  12          2HD       LYS  12  11.264   1.697   2.758
  119   2HD   LYS  12          1HD       LYS  12  11.941   1.598   4.385
  120   1HE   LYS  12          2HE       LYS  12  12.178  -0.624   2.378
  121   2HE   LYS  12          1HE       LYS  12  13.361   0.675   2.496
  122   1HZ   LYS  12          1HZ       LYS  12  12.656  -1.291   4.604
  123   2HZ   LYS  12          2HZ       LYS  12  13.658   0.046   4.859
  124   3HZ   LYS  12          3HZ       LYS  12  14.126  -1.165   3.776
  125    H    LEU  13           H        LEU  13  10.237   2.632   1.979
  126    HA   LEU  13           HA       LEU  13   8.364   3.794   3.816
  127   1HB   LEU  13          2HB       LEU  13  11.026   4.292   3.107
  128   2HB   LEU  13          1HB       LEU  13  10.139   5.727   2.620
  129    HG   LEU  13           HG       LEU  13   9.218   5.066   5.204
  130   1HD1  LEU  13          1HD1      LEU  13  11.018   3.762   5.826
  131   2HD1  LEU  13          2HD1      LEU  13  11.518   5.369   6.355
  132   3HD1  LEU  13          3HD1      LEU  13  12.163   4.692   4.858
  133   1HD2  LEU  13          1HD2      LEU  13   9.204   7.293   4.811
  134   2HD2  LEU  13          2HD2      LEU  13  10.693   7.249   3.864
  135   3HD2  LEU  13          3HD2      LEU  13  10.768   7.202   5.625
  136    H    LEU  14           H        LEU  14   7.291   2.981   1.322
  137    HA   LEU  14           HA       LEU  14   6.161   5.531   0.424
  138   1HB   LEU  14          2HB       LEU  14   7.271   5.191  -1.519
  139   2HB   LEU  14          1HB       LEU  14   7.563   3.499  -1.167
  140    HG   LEU  14           HG       LEU  14   5.165   3.056  -1.837
  141   1HD1  LEU  14          1HD1      LEU  14   4.580   5.545  -1.605
  142   2HD1  LEU  14          2HD1      LEU  14   3.912   4.660  -2.975
  143   3HD1  LEU  14          3HD1      LEU  14   5.301   5.723  -3.204
  144   1HD2  LEU  14          1HD2      LEU  14   6.041   3.953  -4.348
  145   2HD2  LEU  14          2HD2      LEU  14   6.219   2.343  -3.651
  146   3HD2  LEU  14          3HD2      LEU  14   7.492   3.544  -3.434
  147    H    ILE  15           H        ILE  15   5.881   2.111   0.997
  148    HA   ILE  15           HA       ILE  15   2.949   2.359   0.890
  149    HB   ILE  15           HB       ILE  15   3.287   0.874  -0.824
  150   1HG1  ILE  15          2HG1      ILE  15   2.813  -1.399  -0.065
  151   2HG1  ILE  15          1HG1      ILE  15   3.349  -0.986   1.560
  152   1HG2  ILE  15          1HG2      ILE  15   5.062  -0.860  -0.849
  153   2HG2  ILE  15          2HG2      ILE  15   5.649  -0.223   0.688
  154   3HG2  ILE  15          3HG2      ILE  15   5.681   0.789  -0.756
  155   1HD1  ILE  15          1HD1      ILE  15   1.043  -0.911   1.693
  156   2HD1  ILE  15          2HD1      ILE  15   0.878  -0.127   0.120
  157   3HD1  ILE  15          3HD1      ILE  15   1.501   0.784   1.499
  158    H    THR  16           H        THR  16   5.506   0.311   2.275
  159    HA   THR  16           HA       THR  16   4.264  -0.968   4.285
  160    HB   THR  16           HB       THR  16   6.979   0.219   4.038
  161    HG1  THR  16           1HG      THR  16   7.023  -1.718   3.227
  162   1HG2  THR  16          1HG2      THR  16   6.824   0.611   6.328
  163   2HG2  THR  16          2HG2      THR  16   7.587  -0.973   6.199
  164   3HG2  THR  16          3HG2      THR  16   5.876  -0.850   6.605
  165    H    ILE  17           H        ILE  17   5.819   2.143   4.780
  166    HA   ILE  17           HA       ILE  17   4.255   2.580   7.219
  167    HB   ILE  17           HB       ILE  17   6.577   2.703   7.589
  168   1HG1  ILE  17          2HG1      ILE  17   6.963   5.296   7.807
  169   2HG1  ILE  17          1HG1      ILE  17   5.264   5.393   7.351
  170   1HG2  ILE  17          1HG2      ILE  17   7.337   2.740   5.324
  171   2HG2  ILE  17          2HG2      ILE  17   8.046   4.142   6.152
  172   3HG2  ILE  17          3HG2      ILE  17   6.659   4.364   5.068
  173   1HD1  ILE  17          1HD1      ILE  17   5.961   3.518   9.525
  174   2HD1  ILE  17          2HD1      ILE  17   4.547   4.555   9.319
  175   3HD1  ILE  17          3HD1      ILE  17   6.072   5.245   9.874
  176    H    HIS  18           H        HIS  18   5.258   4.184   4.247
  177    HA   HIS  18           HA       HIS  18   4.101   6.663   4.658
  178   1HB   HIS  18          2HB       HIS  18   5.661   6.468   2.914
  179   2HB   HIS  18          1HB       HIS  18   4.837   5.074   2.219
  180    HD1  HIS  18           1HD      HIS  18   2.295   5.783   1.385
  181    HD2  HIS  18           2HD      HIS  18   5.239   8.695   1.420
  182    HE1  HIS  18           1HE      HIS  18   1.499   7.553  -0.228
  183    HE2  HIS  18           2HE      HIS  18   3.357   9.257  -0.268
  184    H    ASP  19           H        ASP  19   2.527   3.691   4.228
  185    HA   ASP  19           HA       ASP  19   0.217   4.633   2.844
  186   1HB   ASP  19          2HB       ASP  19   0.675   2.307   2.749
  187   2HB   ASP  19          1HB       ASP  19   0.728   2.166   4.500
  188    H    ARG  20           H        ARG  20   0.861   3.914   6.281
  189    HA   ARG  20           HA       ARG  20  -1.667   4.803   7.200
  190   1HB   ARG  20          2HB       ARG  20  -0.709   4.723   9.421
  191   2HB   ARG  20          1HB       ARG  20  -0.149   3.330   8.506
  192   1HG   ARG  20          2HG       ARG  20   1.998   4.328   8.170
  193   2HG   ARG  20          1HG       ARG  20   1.452   5.850   8.878
  194   1HD   ARG  20          2HD       ARG  20   2.053   3.242  10.213
  195   2HD   ARG  20          1HD       ARG  20   2.617   4.862  10.622
  196    HE   ARG  20           HE       ARG  20  -0.169   3.991  11.050
  197   1HH1  ARG  20          1HH1      ARG  20   2.746   5.570  12.127
  198   2HH1  ARG  20          2HH1      ARG  20   2.053   6.113  13.619
  199   1HH2  ARG  20          1HH2      ARG  20  -1.086   4.698  13.011
  200   2HH2  ARG  20          2HH2      ARG  20  -0.125   5.617  14.122
  201    H    LYS  21           H        LYS  21   0.752   6.458   5.773
  202    HA   LYS  21           HA       LYS  21   0.742   8.885   7.305
  203   1HB   LYS  21          2HB       LYS  21   2.733   8.525   6.144
  204   2HB   LYS  21          1HB       LYS  21   1.893   7.965   4.701
  205   1HG   LYS  21          2HG       LYS  21   1.044  10.554   4.911
  206   2HG   LYS  21          1HG       LYS  21   2.714  10.654   5.467
  207   1HD   LYS  21          2HD       LYS  21   2.843   9.010   3.242
  208   2HD   LYS  21          1HD       LYS  21   1.658  10.238   2.793
  209   1HE   LYS  21          2HE       LYS  21   4.030  10.798   2.211
  210   2HE   LYS  21          1HE       LYS  21   3.207  11.998   3.207
  211   1HZ   LYS  21          1HZ       LYS  21   4.615   9.987   4.715
  212   2HZ   LYS  21          2HZ       LYS  21   4.617  11.669   4.890
  213   3HZ   LYS  21          3HZ       LYS  21   5.624  10.937   3.746
  214    H    GLU  22           H        GLU  22  -0.570   7.865   4.167
  215    HA   GLU  22           HA       GLU  22  -1.949  10.346   3.770
  216   1HB   GLU  22          2HB       GLU  22  -2.994   8.976   1.833
  217   2HB   GLU  22          1HB       GLU  22  -1.285   9.382   1.767
  218   1HG   GLU  22          2HG       GLU  22  -0.621   7.234   2.008
  219   2HG   GLU  22          1HG       GLU  22  -1.992   6.810   3.042
  220    H    PHE  23           H        PHE  23  -3.898   7.732   2.845
  221    HA   PHE  23           HA       PHE  23  -5.709   8.224   5.115
  222   1HB   PHE  23          2HB       PHE  23  -6.268   8.011   2.174
  223   2HB   PHE  23          1HB       PHE  23  -7.529   7.675   3.355
  224    HD1  PHE  23           1HD      PHE  23  -6.097  10.140   1.353
  225    HD2  PHE  23           2HD      PHE  23  -7.782   9.555   5.217
  226    HE1  PHE  23           1HE      PHE  23  -6.582  12.547   1.502
  227    HE2  PHE  23           2HE      PHE  23  -8.271  11.962   5.372
  228    HZ   PHE  23           HZ       PHE  23  -7.671  13.461   3.513
  229    H    ALA  24           H        ALA  24  -3.932   6.156   5.345
  230    HA   ALA  24           HA       ALA  24  -4.823   3.680   4.341
  231   1HB   ALA  24          1HB       ALA  24  -2.666   3.561   5.102
  232   2HB   ALA  24          2HB       ALA  24  -3.538   2.816   6.443
  233   3HB   ALA  24          3HB       ALA  24  -3.011   4.498   6.556
  234    H    LYS  25           H        LYS  25  -6.301   5.711   6.536
  235    HA   LYS  25           HA       LYS  25  -7.273   4.142   8.565
  236   1HB   LYS  25          2HB       LYS  25  -9.475   5.590   8.097
  237   2HB   LYS  25          1HB       LYS  25  -8.033   6.267   8.839
  238   1HG   LYS  25          2HG       LYS  25  -8.090   6.365   5.903
  239   2HG   LYS  25          1HG       LYS  25  -9.312   7.342   6.719
  240   1HD   LYS  25          2HD       LYS  25  -6.329   7.455   7.181
  241   2HD   LYS  25          1HD       LYS  25  -7.298   8.648   6.315
  242   1HE   LYS  25          2HE       LYS  25  -7.578   9.715   8.246
  243   2HE   LYS  25          1HE       LYS  25  -8.554   8.350   8.789
  244   1HZ   LYS  25          1HZ       LYS  25  -5.611   8.337   9.050
  245   2HZ   LYS  25          2HZ       LYS  25  -6.747   7.399   9.880
  246   3HZ   LYS  25          3HZ       LYS  25  -6.595   9.046  10.228
  247    H    PHE  26           H        PHE  26  -8.709   4.521   5.324
  248    HA   PHE  26           HA       PHE  26 -10.076   1.959   5.753
  249   1HB   PHE  26          2HB       PHE  26 -11.541   3.166   3.767
  250   2HB   PHE  26          1HB       PHE  26 -11.997   3.087   5.465
  251    HD1  PHE  26           1HD      PHE  26 -12.483   5.040   6.567
  252    HD2  PHE  26           2HD      PHE  26  -9.977   5.174   3.133
  253    HE1  PHE  26           1HE      PHE  26 -12.458   7.493   6.685
  254    HE2  PHE  26           2HE      PHE  26  -9.945   7.627   3.244
  255    HZ   PHE  26           HZ       PHE  26 -11.186   8.796   5.024
  256    H    GLU  27           H        GLU  27  -7.456   2.815   4.491
  257    HA   GLU  27           HA       GLU  27  -7.799   2.149   1.721
  258   1HB   GLU  27          2HB       GLU  27  -5.711   3.202   3.373
  259   2HB   GLU  27          1HB       GLU  27  -5.091   1.854   2.423
  260   1HG   GLU  27          2HG       GLU  27  -6.694   3.369   0.700
  261   2HG   GLU  27          1HG       GLU  27  -5.704   4.514   1.606
  262    H    GLU  28           H        GLU  28  -8.264   0.347   4.231
  263    HA   GLU  28           HA       GLU  28  -7.084  -2.059   3.027
  264   1HB   GLU  28          2HB       GLU  28  -7.417  -1.261   5.905
  265   2HB   GLU  28          1HB       GLU  28  -7.366  -2.965   5.457
  266   1HG   GLU  28          2HG       GLU  28  -5.230  -1.136   4.475
  267   2HG   GLU  28          1HG       GLU  28  -5.195  -1.683   6.153
  268    H    GLU  29           H        GLU  29  -9.748  -0.301   3.384
  269    HA   GLU  29           HA       GLU  29 -11.556  -2.622   3.457
  270   1HB   GLU  29          2HB       GLU  29 -11.969   0.201   4.453
  271   2HB   GLU  29          1HB       GLU  29 -13.294  -0.930   4.214
  272   1HG   GLU  29          2HG       GLU  29 -11.317  -2.242   5.755
  273   2HG   GLU  29          1HG       GLU  29 -11.577  -0.645   6.453
  274    H    ARG  30           H        ARG  30 -11.790   0.795   2.461
  275    HA   ARG  30           HA       ARG  30 -12.803  -0.118  -0.153
  276   1HB   ARG  30          2HB       ARG  30 -14.669   1.037   0.217
  277   2HB   ARG  30          1HB       ARG  30 -14.074   1.470   1.813
  278   1HG   ARG  30          2HG       ARG  30 -12.753   3.288   0.371
  279   2HG   ARG  30          1HG       ARG  30 -14.156   3.050  -0.676
  280   1HD   ARG  30          2HD       ARG  30 -14.072   3.981   2.175
  281   2HD   ARG  30          1HD       ARG  30 -14.746   4.811   0.772
  282    HE   ARG  30           HE       ARG  30 -16.535   3.141   0.788
  283   1HH1  ARG  30          1HH1      ARG  30 -14.601   3.480   3.669
  284   2HH1  ARG  30          2HH1      ARG  30 -15.818   2.827   4.715
  285   1HH2  ARG  30          1HH2      ARG  30 -18.139   2.281   2.158
  286   2HH2  ARG  30          2HH2      ARG  30 -17.828   2.145   3.856
  287    H    ALA  31           H        ALA  31 -10.987   2.408   1.537
  288    HA   ALA  31           HA       ALA  31 -10.321   3.970  -0.686
  289   1HB   ALA  31          1HB       ALA  31  -8.375   4.725   0.703
  290   2HB   ALA  31          2HB       ALA  31  -8.901   3.568   1.925
  291   3HB   ALA  31          3HB       ALA  31  -9.963   4.897   1.455
  292    H    ARG  32           H        ARG  32  -9.681   0.851  -0.559
  293    HA   ARG  32           HA       ARG  32  -6.991   1.107  -1.726
  294   1HB   ARG  32          2HB       ARG  32  -7.653  -0.511   0.274
  295   2HB   ARG  32          1HB       ARG  32  -8.104  -1.557  -1.055
  296   1HG   ARG  32          2HG       ARG  32  -5.399  -0.317  -0.597
  297   2HG   ARG  32          1HG       ARG  32  -5.836  -2.015  -0.339
  298   1HD   ARG  32          2HD       ARG  32  -6.334  -0.746  -2.990
  299   2HD   ARG  32          1HD       ARG  32  -4.690  -1.266  -2.576
  300    HE   ARG  32           HE       ARG  32  -7.005  -3.100  -2.559
  301   1HH1  ARG  32          1HH1      ARG  32  -3.690  -2.365  -3.353
  302   2HH1  ARG  32          2HH1      ARG  32  -3.367  -3.935  -4.007
  303   1HH2  ARG  32          1HH2      ARG  32  -6.587  -5.164  -3.419
  304   2HH2  ARG  32          2HH2      ARG  32  -5.012  -5.527  -4.044
  305    H    ALA  33           H        ALA  33 -10.115  -0.501  -2.090
  306    HA   ALA  33           HA       ALA  33  -9.629  -1.719  -4.548
  307   1HB   ALA  33          1HB       ALA  33 -11.576  -2.151  -3.161
  308   2HB   ALA  33          2HB       ALA  33 -12.038  -1.779  -4.825
  309   3HB   ALA  33          3HB       ALA  33 -12.230  -0.562  -3.558
  310    H    LYS  34           H        LYS  34  -9.747   1.509  -3.685
  311    HA   LYS  34           HA       LYS  34 -10.670   2.825  -5.993
  312   1HB   LYS  34          2HB       LYS  34  -8.324   3.805  -4.362
  313   2HB   LYS  34          1HB       LYS  34  -9.636   4.743  -5.082
  314   1HG   LYS  34          2HG       LYS  34  -9.876   2.872  -2.740
  315   2HG   LYS  34          1HG       LYS  34  -9.775   4.636  -2.642
  316   1HD   LYS  34          2HD       LYS  34 -11.880   3.407  -4.345
  317   2HD   LYS  34          1HD       LYS  34 -12.102   3.403  -2.597
  318   1HE   LYS  34          2HE       LYS  34 -12.599   5.580  -2.562
  319   2HE   LYS  34          1HE       LYS  34 -11.222   5.985  -3.584
  320   1HZ   LYS  34          1HZ       LYS  34 -13.157   6.606  -4.755
  321   2HZ   LYS  34          2HZ       LYS  34 -13.924   5.130  -4.449
  322   3HZ   LYS  34          3HZ       LYS  34 -12.601   5.193  -5.501
  323    H    TRP  35           H        TRP  35  -7.605   1.563  -4.964
  324    HA   TRP  35           HA       TRP  35  -6.192   2.153  -7.402
  325   1HB   TRP  35          2HB       TRP  35  -5.183   0.177  -5.407
  326   2HB   TRP  35          1HB       TRP  35  -4.306   1.456  -6.259
  327    HD1  TRP  35           HD       TRP  35  -4.723   0.649  -2.985
  328    HE1  TRP  35           1HE      TRP  35  -5.126   2.618  -1.416
  329    HE3  TRP  35           3HE      TRP  35  -6.164   4.159  -6.406
  330    HZ2  TRP  35           2HZ      TRP  35  -5.939   5.279  -1.565
  331    HZ3  TRP  35           3HZ      TRP  35  -6.752   6.409  -5.598
  332    HH2  TRP  35           HH       TRP  35  -6.635   6.963  -3.220
  333    H    ASP  36           H        ASP  36  -6.592  -0.883  -5.641
  334    HA   ASP  36           HA       ASP  36  -6.589  -3.051  -6.409
  335   1HB   ASP  36          2HB       ASP  36  -9.004  -1.810  -6.493
  336   2HB   ASP  36          1HB       ASP  36  -8.894  -2.439  -8.138